----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:44:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.746434213843117 1.008304263484294 6.374625009999994 b -1.746434213843113 1.008304263484294 6.374625009999994 c 0.000000000000002 -2.016608526968591 6.374625009999994 Atomic positions (fractional): *1 O 0.72811917304366 0.72811917304366 0.72811917304366 15.999 2 O 0.27188082695634 0.27188082695635 0.27188082695634 15.999 *3 Rb 0.50000000000000 0.50000000000000 0.50000000000000 85.468 *4 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.492868427686231 0.000000000000000 0.000000000000000 b -1.746434213843115 3.024912790452885 0.000000000000000 c 0.000000000000000 0.000000000000000 19.123875030000001 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.72811917304366 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.93854749362301 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.06145250637699 15.999 > 1 4 O 0.00000000000000 0.00000000000000 0.27188082695634 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.39478583971032 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.60521416028968 15.999 > 2 *7 Rb 0.66666666666667 0.33333333333333 0.83333333333333 85.468 > 3 8 Rb 0.33333333333333 0.66666666666667 0.16666666666667 85.468 > 3 9 Rb 0.00000000000000 0.00000000000000 0.50000000000000 85.468 > 3 *10 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 4 11 Tl 0.66666666666667 0.33333333333333 0.33333333333333 204.383 > 4 12 Tl 0.33333333333333 0.66666666666667 0.66666666666667 204.383 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.478605283058693 0.000000000000000 0.000000000000000 b -5.239302641529346 9.074738371358656 0.000000000000000 c 0.000000000000000 0.000000000000000 19.123875030000001 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.72811917304366 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.72811917304366 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.72811917304366 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.72811917304366 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.72811917304366 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.72811917304366 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.72811917304366 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.72811917304366 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.72811917304366 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.93854749362301 15.999 > 2 11 O 0.44444444444444 0.22222222222222 0.93854749362301 15.999 > 2 12 O 0.77777777777778 0.22222222222222 0.93854749362301 15.999 > 2 13 O 0.11111111111111 0.55555555555556 0.93854749362301 15.999 > 2 14 O 0.44444444444444 0.55555555555556 0.93854749362301 15.999 > 2 15 O 0.77777777777778 0.55555555555556 0.93854749362301 15.999 > 2 16 O 0.11111111111111 0.88888888888889 0.93854749362301 15.999 > 2 17 O 0.44444444444444 0.88888888888889 0.93854749362301 15.999 > 2 18 O 0.77777777777778 0.88888888888889 0.93854749362301 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.06145250637699 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.06145250637699 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.06145250637699 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.06145250637699 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.06145250637699 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.06145250637699 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.06145250637699 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.06145250637699 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.06145250637699 15.999 > 1 28 O 0.00000000000000 0.00000000000000 0.27188082695634 15.999 > 2 29 O 0.33333333333333 0.00000000000000 0.27188082695634 15.999 > 2 30 O 0.66666666666667 0.00000000000000 0.27188082695634 15.999 > 2 31 O 0.00000000000000 0.33333333333333 0.27188082695634 15.999 > 2 32 O 0.33333333333333 0.33333333333333 0.27188082695634 15.999 > 2 33 O 0.66666666666667 0.33333333333333 0.27188082695634 15.999 > 2 34 O 0.00000000000000 0.66666666666667 0.27188082695634 15.999 > 2 35 O 0.33333333333333 0.66666666666667 0.27188082695634 15.999 > 2 36 O 0.66666666666667 0.66666666666667 0.27188082695634 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.39478583971032 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.39478583971032 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.39478583971032 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.39478583971032 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.39478583971032 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.39478583971032 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.39478583971032 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.39478583971032 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.39478583971032 15.999 > 1 46 O 0.22222222222222 0.11111111111111 0.60521416028968 15.999 > 2 47 O 0.55555555555556 0.11111111111111 0.60521416028968 15.999 > 2 48 O 0.88888888888889 0.11111111111111 0.60521416028968 15.999 > 2 49 O 0.22222222222222 0.44444444444444 0.60521416028968 15.999 > 2 50 O 0.55555555555556 0.44444444444444 0.60521416028968 15.999 > 2 51 O 0.88888888888889 0.44444444444444 0.60521416028968 15.999 > 2 52 O 0.22222222222222 0.77777777777778 0.60521416028968 15.999 > 2 53 O 0.55555555555556 0.77777777777778 0.60521416028968 15.999 > 2 54 O 0.88888888888889 0.77777777777778 0.60521416028968 15.999 > 2 *55 Rb 0.22222222222222 0.11111111111111 0.83333333333333 85.468 > 3 56 Rb 0.55555555555556 0.11111111111111 0.83333333333333 85.468 > 3 57 Rb 0.88888888888889 0.11111111111111 0.83333333333333 85.468 > 3 58 Rb 0.22222222222222 0.44444444444444 0.83333333333333 85.468 > 3 59 Rb 0.55555555555556 0.44444444444444 0.83333333333333 85.468 > 3 60 Rb 0.88888888888889 0.44444444444444 0.83333333333333 85.468 > 3 61 Rb 0.22222222222222 0.77777777777778 0.83333333333333 85.468 > 3 62 Rb 0.55555555555556 0.77777777777778 0.83333333333333 85.468 > 3 63 Rb 0.88888888888889 0.77777777777778 0.83333333333333 85.468 > 3 64 Rb 0.11111111111111 0.22222222222222 0.16666666666667 85.468 > 3 65 Rb 0.44444444444444 0.22222222222222 0.16666666666667 85.468 > 3 66 Rb 0.77777777777778 0.22222222222222 0.16666666666667 85.468 > 3 67 Rb 0.11111111111111 0.55555555555556 0.16666666666667 85.468 > 3 68 Rb 0.44444444444444 0.55555555555556 0.16666666666667 85.468 > 3 69 Rb 0.77777777777778 0.55555555555556 0.16666666666667 85.468 > 3 70 Rb 0.11111111111111 0.88888888888889 0.16666666666667 85.468 > 3 71 Rb 0.44444444444444 0.88888888888889 0.16666666666667 85.468 > 3 72 Rb 0.77777777777778 0.88888888888889 0.16666666666667 85.468 > 3 73 Rb 0.00000000000000 0.00000000000000 0.50000000000000 85.468 > 3 74 Rb 0.33333333333333 0.00000000000000 0.50000000000000 85.468 > 3 75 Rb 0.66666666666667 0.00000000000000 0.50000000000000 85.468 > 3 76 Rb 0.00000000000000 0.33333333333333 0.50000000000000 85.468 > 3 77 Rb 0.33333333333333 0.33333333333333 0.50000000000000 85.468 > 3 78 Rb 0.66666666666667 0.33333333333333 0.50000000000000 85.468 > 3 79 Rb 0.00000000000000 0.66666666666667 0.50000000000000 85.468 > 3 80 Rb 0.33333333333333 0.66666666666667 0.50000000000000 85.468 > 3 81 Rb 0.66666666666667 0.66666666666667 0.50000000000000 85.468 > 3 *82 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 4 83 Tl 0.33333333333333 0.00000000000000 0.00000000000000 204.383 > 4 84 Tl 0.66666666666667 0.00000000000000 0.00000000000000 204.383 > 4 85 Tl 0.00000000000000 0.33333333333333 0.00000000000000 204.383 > 4 86 Tl 0.33333333333333 0.33333333333333 0.00000000000000 204.383 > 4 87 Tl 0.66666666666667 0.33333333333333 0.00000000000000 204.383 > 4 88 Tl 0.00000000000000 0.66666666666667 0.00000000000000 204.383 > 4 89 Tl 0.33333333333333 0.66666666666667 0.00000000000000 204.383 > 4 90 Tl 0.66666666666667 0.66666666666667 0.00000000000000 204.383 > 4 91 Tl 0.22222222222222 0.11111111111111 0.33333333333333 204.383 > 4 92 Tl 0.55555555555556 0.11111111111111 0.33333333333333 204.383 > 4 93 Tl 0.88888888888889 0.11111111111111 0.33333333333333 204.383 > 4 94 Tl 0.22222222222222 0.44444444444444 0.33333333333333 204.383 > 4 95 Tl 0.55555555555556 0.44444444444444 0.33333333333333 204.383 > 4 96 Tl 0.88888888888889 0.44444444444444 0.33333333333333 204.383 > 4 97 Tl 0.22222222222222 0.77777777777778 0.33333333333333 204.383 > 4 98 Tl 0.55555555555556 0.77777777777778 0.33333333333333 204.383 > 4 99 Tl 0.88888888888889 0.77777777777778 0.33333333333333 204.383 > 4 100 Tl 0.11111111111111 0.22222222222222 0.66666666666667 204.383 > 4 101 Tl 0.44444444444444 0.22222222222222 0.66666666666667 204.383 > 4 102 Tl 0.77777777777778 0.22222222222222 0.66666666666667 204.383 > 4 103 Tl 0.11111111111111 0.55555555555556 0.66666666666667 204.383 > 4 104 Tl 0.44444444444444 0.55555555555556 0.66666666666667 204.383 > 4 105 Tl 0.77777777777778 0.55555555555556 0.66666666666667 204.383 > 4 106 Tl 0.11111111111111 0.88888888888889 0.66666666666667 204.383 > 4 107 Tl 0.44444444444444 0.88888888888889 0.66666666666667 204.383 > 4 108 Tl 0.77777777777778 0.88888888888889 0.66666666666667 204.383 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7886894 0.0000000 0.0000000 0.0000000 5.7886894 0.0000000 0.0000000 0.0000000 4.2759059 -------------------------- Born effective charges -------------------------- 1 O -2.4688746 -0.0000000 0.0000000 -0.0000000 -2.4688746 0.0000000 0.0000000 0.0000000 -1.7775214 2 O -2.4688746 -0.0000000 0.0000000 -0.0000000 -2.4688746 0.0000000 0.0000000 0.0000000 -1.7775214 3 Rb 1.0715165 0.0000000 0.0000000 0.0000000 1.0715165 0.0000000 0.0000000 0.0000000 1.8753309 4 Tl 3.8662327 0.0000000 0.0000000 0.0000000 3.8662327 0.0000000 0.0000000 0.0000000 1.6797118 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.133 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.139 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:44:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:44:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.746434213843117 1.008304263484294 6.374625009999994 b -1.746434213843113 1.008304263484294 6.374625009999994 c 0.000000000000002 -2.016608526968591 6.374625009999994 Atomic positions (fractional): 1 O 0.72811917304366 0.72811917304366 0.72811917304366 15.999 2 O 0.27188082695634 0.27188082695635 0.27188082695634 15.999 3 Rb 0.50000000000000 0.50000000000000 0.50000000000000 85.468 4 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.478605283058693 0.000000000000000 0.000000000000000 b -5.239302641529346 9.074738371358656 0.000000000000000 c 0.000000000000000 0.000000000000000 19.123875030000001 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.72811917304366 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.72811917304366 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.72811917304366 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.72811917304366 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.72811917304366 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.72811917304366 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.72811917304366 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.72811917304366 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.72811917304366 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.93854749362301 15.999 > 10 11 O 0.44444444444444 0.22222222222222 0.93854749362301 15.999 > 10 12 O 0.77777777777778 0.22222222222222 0.93854749362301 15.999 > 10 13 O 0.11111111111111 0.55555555555556 0.93854749362301 15.999 > 10 14 O 0.44444444444444 0.55555555555556 0.93854749362301 15.999 > 10 15 O 0.77777777777778 0.55555555555556 0.93854749362301 15.999 > 10 16 O 0.11111111111111 0.88888888888889 0.93854749362301 15.999 > 10 17 O 0.44444444444444 0.88888888888889 0.93854749362301 15.999 > 10 18 O 0.77777777777778 0.88888888888889 0.93854749362301 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.06145250637699 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.06145250637699 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.06145250637699 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.06145250637699 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.06145250637699 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.06145250637699 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.06145250637699 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.06145250637699 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.06145250637699 15.999 > 1 28 O 0.00000000000000 0.00000000000000 0.27188082695634 15.999 > 10 29 O 0.33333333333333 0.00000000000000 0.27188082695634 15.999 > 10 30 O 0.66666666666667 0.00000000000000 0.27188082695634 15.999 > 10 31 O 0.00000000000000 0.33333333333333 0.27188082695634 15.999 > 10 32 O 0.33333333333333 0.33333333333333 0.27188082695634 15.999 > 10 33 O 0.66666666666667 0.33333333333333 0.27188082695634 15.999 > 10 34 O 0.00000000000000 0.66666666666667 0.27188082695634 15.999 > 10 35 O 0.33333333333333 0.66666666666667 0.27188082695634 15.999 > 10 36 O 0.66666666666667 0.66666666666667 0.27188082695634 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.39478583971032 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.39478583971032 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.39478583971032 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.39478583971032 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.39478583971032 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.39478583971032 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.39478583971032 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.39478583971032 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.39478583971032 15.999 > 1 46 O 0.22222222222222 0.11111111111111 0.60521416028968 15.999 > 10 47 O 0.55555555555556 0.11111111111111 0.60521416028968 15.999 > 10 48 O 0.88888888888889 0.11111111111111 0.60521416028968 15.999 > 10 49 O 0.22222222222222 0.44444444444444 0.60521416028968 15.999 > 10 50 O 0.55555555555556 0.44444444444444 0.60521416028968 15.999 > 10 51 O 0.88888888888889 0.44444444444444 0.60521416028968 15.999 > 10 52 O 0.22222222222222 0.77777777777778 0.60521416028968 15.999 > 10 53 O 0.55555555555556 0.77777777777778 0.60521416028968 15.999 > 10 54 O 0.88888888888889 0.77777777777778 0.60521416028968 15.999 > 10 55 Rb 0.22222222222222 0.11111111111111 0.83333333333333 85.468 > 55 56 Rb 0.55555555555556 0.11111111111111 0.83333333333333 85.468 > 55 57 Rb 0.88888888888889 0.11111111111111 0.83333333333333 85.468 > 55 58 Rb 0.22222222222222 0.44444444444444 0.83333333333333 85.468 > 55 59 Rb 0.55555555555556 0.44444444444444 0.83333333333333 85.468 > 55 60 Rb 0.88888888888889 0.44444444444444 0.83333333333333 85.468 > 55 61 Rb 0.22222222222222 0.77777777777778 0.83333333333333 85.468 > 55 62 Rb 0.55555555555556 0.77777777777778 0.83333333333333 85.468 > 55 63 Rb 0.88888888888889 0.77777777777778 0.83333333333333 85.468 > 55 64 Rb 0.11111111111111 0.22222222222222 0.16666666666667 85.468 > 55 65 Rb 0.44444444444444 0.22222222222222 0.16666666666667 85.468 > 55 66 Rb 0.77777777777778 0.22222222222222 0.16666666666667 85.468 > 55 67 Rb 0.11111111111111 0.55555555555556 0.16666666666667 85.468 > 55 68 Rb 0.44444444444444 0.55555555555556 0.16666666666667 85.468 > 55 69 Rb 0.77777777777778 0.55555555555556 0.16666666666667 85.468 > 55 70 Rb 0.11111111111111 0.88888888888889 0.16666666666667 85.468 > 55 71 Rb 0.44444444444444 0.88888888888889 0.16666666666667 85.468 > 55 72 Rb 0.77777777777778 0.88888888888889 0.16666666666667 85.468 > 55 73 Rb 0.00000000000000 0.00000000000000 0.50000000000000 85.468 > 55 74 Rb 0.33333333333333 0.00000000000000 0.50000000000000 85.468 > 55 75 Rb 0.66666666666667 0.00000000000000 0.50000000000000 85.468 > 55 76 Rb 0.00000000000000 0.33333333333333 0.50000000000000 85.468 > 55 77 Rb 0.33333333333333 0.33333333333333 0.50000000000000 85.468 > 55 78 Rb 0.66666666666667 0.33333333333333 0.50000000000000 85.468 > 55 79 Rb 0.00000000000000 0.66666666666667 0.50000000000000 85.468 > 55 80 Rb 0.33333333333333 0.66666666666667 0.50000000000000 85.468 > 55 81 Rb 0.66666666666667 0.66666666666667 0.50000000000000 85.468 > 55 82 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 82 83 Tl 0.33333333333333 0.00000000000000 0.00000000000000 204.383 > 82 84 Tl 0.66666666666667 0.00000000000000 0.00000000000000 204.383 > 82 85 Tl 0.00000000000000 0.33333333333333 0.00000000000000 204.383 > 82 86 Tl 0.33333333333333 0.33333333333333 0.00000000000000 204.383 > 82 87 Tl 0.66666666666667 0.33333333333333 0.00000000000000 204.383 > 82 88 Tl 0.00000000000000 0.66666666666667 0.00000000000000 204.383 > 82 89 Tl 0.33333333333333 0.66666666666667 0.00000000000000 204.383 > 82 90 Tl 0.66666666666667 0.66666666666667 0.00000000000000 204.383 > 82 91 Tl 0.22222222222222 0.11111111111111 0.33333333333333 204.383 > 82 92 Tl 0.55555555555556 0.11111111111111 0.33333333333333 204.383 > 82 93 Tl 0.88888888888889 0.11111111111111 0.33333333333333 204.383 > 82 94 Tl 0.22222222222222 0.44444444444444 0.33333333333333 204.383 > 82 95 Tl 0.55555555555556 0.44444444444444 0.33333333333333 204.383 > 82 96 Tl 0.88888888888889 0.44444444444444 0.33333333333333 204.383 > 82 97 Tl 0.22222222222222 0.77777777777778 0.33333333333333 204.383 > 82 98 Tl 0.55555555555556 0.77777777777778 0.33333333333333 204.383 > 82 99 Tl 0.88888888888889 0.77777777777778 0.33333333333333 204.383 > 82 100 Tl 0.11111111111111 0.22222222222222 0.66666666666667 204.383 > 82 101 Tl 0.44444444444444 0.22222222222222 0.66666666666667 204.383 > 82 102 Tl 0.77777777777778 0.22222222222222 0.66666666666667 204.383 > 82 103 Tl 0.11111111111111 0.55555555555556 0.66666666666667 204.383 > 82 104 Tl 0.44444444444444 0.55555555555556 0.66666666666667 204.383 > 82 105 Tl 0.77777777777778 0.55555555555556 0.66666666666667 204.383 > 82 106 Tl 0.11111111111111 0.88888888888889 0.66666666666667 204.383 > 82 107 Tl 0.44444444444444 0.88888888888889 0.66666666666667 204.383 > 82 108 Tl 0.77777777777778 0.88888888888889 0.66666666666667 204.383 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7886894 0.0000000 0.0000000 0.0000000 5.7886894 0.0000000 0.0000000 0.0000000 4.2759059 -------------------------- Born effective charges -------------------------- 1 O -2.4688746 -0.0000000 0.0000000 -0.0000000 -2.4688746 0.0000000 0.0000000 0.0000000 -1.7775214 2 O -2.4688746 -0.0000000 0.0000000 -0.0000000 -2.4688746 0.0000000 0.0000000 0.0000000 -1.7775214 3 Rb 1.0715165 0.0000000 0.0000000 0.0000000 1.0715165 0.0000000 0.0000000 0.0000000 1.8753309 4 Tl 3.8662327 0.0000000 0.0000000 0.0000000 3.8662327 0.0000000 0.0000000 0.0000000 1.6797118 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:44:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:44:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.746434213843117 1.008304263484294 6.374625009999994 b -1.746434213843113 1.008304263484294 6.374625009999994 c 0.000000000000002 -2.016608526968591 6.374625009999994 Atomic positions (fractional): 1 O 0.72811917304366 0.72811917304366 0.72811917304366 15.999 2 O 0.27188082695634 0.27188082695635 0.27188082695634 15.999 3 Rb 0.50000000000000 0.50000000000000 0.50000000000000 85.468 4 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.478605283058693 0.000000000000000 0.000000000000000 b -5.239302641529346 9.074738371358656 0.000000000000000 c 0.000000000000000 0.000000000000000 19.123875030000001 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.72811917304366 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.72811917304366 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.72811917304366 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.72811917304366 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.72811917304366 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.72811917304366 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.72811917304366 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.72811917304366 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.72811917304366 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.93854749362301 15.999 > 10 11 O 0.44444444444444 0.22222222222222 0.93854749362301 15.999 > 10 12 O 0.77777777777778 0.22222222222222 0.93854749362301 15.999 > 10 13 O 0.11111111111111 0.55555555555556 0.93854749362301 15.999 > 10 14 O 0.44444444444444 0.55555555555556 0.93854749362301 15.999 > 10 15 O 0.77777777777778 0.55555555555556 0.93854749362301 15.999 > 10 16 O 0.11111111111111 0.88888888888889 0.93854749362301 15.999 > 10 17 O 0.44444444444444 0.88888888888889 0.93854749362301 15.999 > 10 18 O 0.77777777777778 0.88888888888889 0.93854749362301 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.06145250637699 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.06145250637699 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.06145250637699 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.06145250637699 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.06145250637699 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.06145250637699 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.06145250637699 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.06145250637699 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.06145250637699 15.999 > 1 28 O 0.00000000000000 0.00000000000000 0.27188082695634 15.999 > 10 29 O 0.33333333333333 0.00000000000000 0.27188082695634 15.999 > 10 30 O 0.66666666666667 0.00000000000000 0.27188082695634 15.999 > 10 31 O 0.00000000000000 0.33333333333333 0.27188082695634 15.999 > 10 32 O 0.33333333333333 0.33333333333333 0.27188082695634 15.999 > 10 33 O 0.66666666666667 0.33333333333333 0.27188082695634 15.999 > 10 34 O 0.00000000000000 0.66666666666667 0.27188082695634 15.999 > 10 35 O 0.33333333333333 0.66666666666667 0.27188082695634 15.999 > 10 36 O 0.66666666666667 0.66666666666667 0.27188082695634 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.39478583971032 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.39478583971032 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.39478583971032 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.39478583971032 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.39478583971032 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.39478583971032 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.39478583971032 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.39478583971032 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.39478583971032 15.999 > 1 46 O 0.22222222222222 0.11111111111111 0.60521416028968 15.999 > 10 47 O 0.55555555555556 0.11111111111111 0.60521416028968 15.999 > 10 48 O 0.88888888888889 0.11111111111111 0.60521416028968 15.999 > 10 49 O 0.22222222222222 0.44444444444444 0.60521416028968 15.999 > 10 50 O 0.55555555555556 0.44444444444444 0.60521416028968 15.999 > 10 51 O 0.88888888888889 0.44444444444444 0.60521416028968 15.999 > 10 52 O 0.22222222222222 0.77777777777778 0.60521416028968 15.999 > 10 53 O 0.55555555555556 0.77777777777778 0.60521416028968 15.999 > 10 54 O 0.88888888888889 0.77777777777778 0.60521416028968 15.999 > 10 55 Rb 0.22222222222222 0.11111111111111 0.83333333333333 85.468 > 55 56 Rb 0.55555555555556 0.11111111111111 0.83333333333333 85.468 > 55 57 Rb 0.88888888888889 0.11111111111111 0.83333333333333 85.468 > 55 58 Rb 0.22222222222222 0.44444444444444 0.83333333333333 85.468 > 55 59 Rb 0.55555555555556 0.44444444444444 0.83333333333333 85.468 > 55 60 Rb 0.88888888888889 0.44444444444444 0.83333333333333 85.468 > 55 61 Rb 0.22222222222222 0.77777777777778 0.83333333333333 85.468 > 55 62 Rb 0.55555555555556 0.77777777777778 0.83333333333333 85.468 > 55 63 Rb 0.88888888888889 0.77777777777778 0.83333333333333 85.468 > 55 64 Rb 0.11111111111111 0.22222222222222 0.16666666666667 85.468 > 55 65 Rb 0.44444444444444 0.22222222222222 0.16666666666667 85.468 > 55 66 Rb 0.77777777777778 0.22222222222222 0.16666666666667 85.468 > 55 67 Rb 0.11111111111111 0.55555555555556 0.16666666666667 85.468 > 55 68 Rb 0.44444444444444 0.55555555555556 0.16666666666667 85.468 > 55 69 Rb 0.77777777777778 0.55555555555556 0.16666666666667 85.468 > 55 70 Rb 0.11111111111111 0.88888888888889 0.16666666666667 85.468 > 55 71 Rb 0.44444444444444 0.88888888888889 0.16666666666667 85.468 > 55 72 Rb 0.77777777777778 0.88888888888889 0.16666666666667 85.468 > 55 73 Rb 0.00000000000000 0.00000000000000 0.50000000000000 85.468 > 55 74 Rb 0.33333333333333 0.00000000000000 0.50000000000000 85.468 > 55 75 Rb 0.66666666666667 0.00000000000000 0.50000000000000 85.468 > 55 76 Rb 0.00000000000000 0.33333333333333 0.50000000000000 85.468 > 55 77 Rb 0.33333333333333 0.33333333333333 0.50000000000000 85.468 > 55 78 Rb 0.66666666666667 0.33333333333333 0.50000000000000 85.468 > 55 79 Rb 0.00000000000000 0.66666666666667 0.50000000000000 85.468 > 55 80 Rb 0.33333333333333 0.66666666666667 0.50000000000000 85.468 > 55 81 Rb 0.66666666666667 0.66666666666667 0.50000000000000 85.468 > 55 82 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 82 83 Tl 0.33333333333333 0.00000000000000 0.00000000000000 204.383 > 82 84 Tl 0.66666666666667 0.00000000000000 0.00000000000000 204.383 > 82 85 Tl 0.00000000000000 0.33333333333333 0.00000000000000 204.383 > 82 86 Tl 0.33333333333333 0.33333333333333 0.00000000000000 204.383 > 82 87 Tl 0.66666666666667 0.33333333333333 0.00000000000000 204.383 > 82 88 Tl 0.00000000000000 0.66666666666667 0.00000000000000 204.383 > 82 89 Tl 0.33333333333333 0.66666666666667 0.00000000000000 204.383 > 82 90 Tl 0.66666666666667 0.66666666666667 0.00000000000000 204.383 > 82 91 Tl 0.22222222222222 0.11111111111111 0.33333333333333 204.383 > 82 92 Tl 0.55555555555556 0.11111111111111 0.33333333333333 204.383 > 82 93 Tl 0.88888888888889 0.11111111111111 0.33333333333333 204.383 > 82 94 Tl 0.22222222222222 0.44444444444444 0.33333333333333 204.383 > 82 95 Tl 0.55555555555556 0.44444444444444 0.33333333333333 204.383 > 82 96 Tl 0.88888888888889 0.44444444444444 0.33333333333333 204.383 > 82 97 Tl 0.22222222222222 0.77777777777778 0.33333333333333 204.383 > 82 98 Tl 0.55555555555556 0.77777777777778 0.33333333333333 204.383 > 82 99 Tl 0.88888888888889 0.77777777777778 0.33333333333333 204.383 > 82 100 Tl 0.11111111111111 0.22222222222222 0.66666666666667 204.383 > 82 101 Tl 0.44444444444444 0.22222222222222 0.66666666666667 204.383 > 82 102 Tl 0.77777777777778 0.22222222222222 0.66666666666667 204.383 > 82 103 Tl 0.11111111111111 0.55555555555556 0.66666666666667 204.383 > 82 104 Tl 0.44444444444444 0.55555555555556 0.66666666666667 204.383 > 82 105 Tl 0.77777777777778 0.55555555555556 0.66666666666667 204.383 > 82 106 Tl 0.11111111111111 0.88888888888889 0.66666666666667 204.383 > 82 107 Tl 0.44444444444444 0.88888888888889 0.66666666666667 204.383 > 82 108 Tl 0.77777777777778 0.88888888888889 0.66666666666667 204.383 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7886894 0.0000000 0.0000000 0.0000000 5.7886894 0.0000000 0.0000000 0.0000000 4.2759059 -------------------------- Born effective charges -------------------------- 1 O -2.4688746 -0.0000000 0.0000000 -0.0000000 -2.4688746 0.0000000 0.0000000 0.0000000 -1.7775214 2 O -2.4688746 -0.0000000 0.0000000 -0.0000000 -2.4688746 0.0000000 0.0000000 0.0000000 -1.7775214 3 Rb 1.0715165 0.0000000 0.0000000 0.0000000 1.0715165 0.0000000 0.0000000 0.0000000 1.8753309 4 Tl 3.8662327 0.0000000 0.0000000 0.0000000 3.8662327 0.0000000 0.0000000 0.0000000 1.6797118 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) 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 ... [ 17 17 17 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.02, Number of G-points: 313, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 7.363 ( 0.000 0.000 0.000) 0.000 7.363 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 13.457 7.769 1.660) 15.627 0.304 ( 13.643 7.877 0.804) 15.774 0.837 ( 35.753 20.642 7.738) 42.003 2.195 ( 0.961 0.555 0.873) 1.412 2.267 ( 7.639 4.410 -2.006) 9.046 4.082 ( -3.397 -1.961 2.337) 4.566 6.871 ( -8.710 -5.028 2.129) 10.280 7.163 ( 13.917 8.035 1.071) 16.106 7.525 ( 12.107 6.990 -3.177) 14.337 9.287 ( 3.343 1.930 -11.949) 12.557 12.127 ( -8.955 -5.170 -2.115) 10.555 12.392 ( 2.778 1.604 -2.383) 3.996 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 14.251 8.228 1.418) 16.516 0.622 ( 15.742 9.089 0.122) 18.177 1.641 ( 33.586 19.391 6.740) 39.363 2.230 ( 1.862 1.075 1.531) 2.639 2.498 ( 13.195 7.618 -3.391) 15.608 3.984 ( -5.486 -3.167 0.238) 6.339 6.680 ( -8.346 -4.819 1.735) 9.792 7.568 ( 20.285 11.711 -0.477) 23.427 7.830 ( 15.506 8.952 -3.389) 18.222 9.361 ( 4.686 2.705 5.134) 7.459 11.874 ( -12.504 -7.219 -4.703) 15.185 12.425 ( 1.199 0.692 -4.182) 4.405 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 14.723 8.500 1.968) 17.114 0.990 ( 16.920 9.769 -1.103) 19.568 2.286 ( 2.572 1.485 1.851) 3.499 2.372 ( 29.481 17.021 5.064) 34.416 2.813 ( 15.385 8.882 -4.915) 18.432 3.848 ( -6.427 -3.711 1.286) 7.532 6.518 ( -6.374 -3.680 1.299) 7.473 7.988 ( 16.260 9.388 -4.710) 19.357 8.192 ( 17.526 10.119 -2.859) 20.438 9.561 ( 10.875 6.279 16.023) 20.357 11.543 ( -15.083 -8.708 -7.175) 18.836 12.426 ( 0.225 0.130 -5.248) 5.254 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 14.490 8.366 2.076) 16.860 1.363 ( 16.475 9.512 -1.628) 19.093 2.354 ( 2.896 1.672 1.847) 3.820 2.973 ( 22.020 12.713 3.218) 25.629 3.124 ( 13.106 7.567 -9.439) 17.836 3.739 ( -2.802 -1.618 6.601) 7.351 6.407 ( -3.811 -2.200 1.255) 4.576 8.235 ( 7.603 4.389 -7.127) 11.307 8.591 ( 18.384 10.614 -2.072) 21.329 9.945 ( 17.055 9.847 22.157) 29.644 11.166 ( -15.624 -9.021 -10.185) 20.718 12.406 ( -0.417 -0.241 -5.658) 5.679 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 13.147 7.590 1.656) 15.270 1.711 ( 14.787 8.537 -1.492) 17.139 2.423 ( 2.682 1.549 1.629) 3.499 3.210 ( -0.014 -0.008 -10.266) 10.266 3.415 ( 14.502 8.372 0.824) 16.765 3.849 ( 9.899 5.715 9.314) 14.745 6.354 ( -1.304 -0.753 1.505) 2.129 8.321 ( 2.848 1.644 -6.446) 7.237 8.992 ( 17.529 10.121 -1.303) 20.283 10.351 ( 6.611 3.817 24.039) 25.222 10.852 ( -3.754 -2.168 -13.440) 14.122 12.374 ( -0.952 -0.550 -5.640) 5.747 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 10.624 6.134 0.942) 12.303 2.012 ( 12.209 7.049 -0.887) 14.126 2.480 ( 1.936 1.118 1.308) 2.591 3.108 ( -5.000 -2.887 -7.409) 9.393 3.693 ( 9.907 5.720 2.287) 11.666 4.125 ( 10.976 6.337 4.667) 13.506 6.351 ( 0.456 0.263 1.664) 1.746 8.355 ( 2.171 1.254 -4.787) 5.404 9.354 ( 14.603 8.431 -0.705) 16.877 10.200 ( -15.831 -9.140 4.252) 18.768 11.081 ( 17.102 9.874 3.968) 20.142 12.329 ( -1.513 -0.874 -5.405) 5.680 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 7.083 4.089 0.307) 8.184 2.248 ( 8.825 5.095 -0.119) 10.191 2.516 ( 0.916 0.529 0.910) 1.395 2.974 ( -4.920 -2.841 -4.483) 7.237 3.878 ( 5.950 3.435 1.991) 7.153 4.337 ( 6.819 3.937 1.780) 8.072 6.375 ( 1.023 0.591 1.362) 1.803 8.400 ( 2.909 1.680 -2.843) 4.401 9.629 ( 9.705 5.603 -0.316) 11.210 9.860 ( -13.671 -7.893 -0.127) 15.786 11.451 ( 13.306 7.682 6.093) 16.529 12.272 ( -2.069 -1.195 -4.810) 5.370 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 2.566 1.482 0.021) 2.963 2.395 ( 3.707 2.140 0.209) 4.285 2.529 ( 0.169 0.098 0.350) 0.401 2.876 ( -2.440 -1.408 -1.682) 3.281 3.971 ( 1.997 1.153 0.793) 2.438 4.441 ( 2.232 1.289 0.402) 2.609 6.397 ( 0.490 0.283 0.530) 0.775 8.454 ( 1.764 1.018 -0.906) 2.229 9.631 ( -5.685 -3.282 -0.360) 6.574 9.777 ( 3.404 1.965 -0.086) 3.931 11.683 ( 5.415 3.126 3.076) 6.968 12.216 ( -1.455 -0.840 -2.471) 2.988 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 0.000 15.082 10.057) 18.127 0.374 ( 0.000 14.540 16.047) 21.654 0.830 ( 0.000 40.227 6.650) 40.773 2.178 ( -0.000 0.497 -2.641) 2.688 2.277 ( 0.000 9.367 0.177) 9.369 4.093 ( 0.000 -5.489 4.511) 7.105 6.847 ( -0.000 -10.062 -2.879) 10.466 7.143 ( -0.000 15.514 -3.038) 15.809 7.557 ( 0.000 14.390 3.629) 14.841 9.179 ( -0.000 9.620 -32.623) 34.012 12.146 ( 0.000 -9.697 1.843) 9.871 12.399 ( -0.000 4.106 -1.075) 4.244 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 4.002 13.889 12.153) 18.884 0.681 ( 6.422 18.127 5.113) 19.899 1.431 ( 21.067 32.067 8.084) 39.211 2.208 ( 3.001 1.248 -1.938) 3.784 2.425 ( 5.154 12.450 -1.412) 13.549 4.016 ( -3.111 -5.584 0.426) 6.406 6.967 ( 4.756 -0.750 -0.157) 4.818 7.090 ( 1.393 6.761 -2.489) 7.338 7.844 ( 8.686 19.018 -0.196) 20.909 9.274 ( 9.263 3.863 -9.839) 14.055 11.966 ( -8.934 -10.046 -0.663) 13.460 12.424 ( -0.549 2.776 -2.544) 3.806 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 12.081 13.163 7.022) 19.197 0.983 ( 6.873 18.924 2.195) 20.253 2.124 ( 24.460 24.546 7.139) 35.380 2.278 ( 2.922 3.329 -0.220) 4.435 2.675 ( 10.443 12.555 -3.851) 16.778 3.894 ( -4.383 -6.007 -0.151) 7.438 6.819 ( -19.999 16.020 0.413) 25.628 7.480 ( 34.272 -8.005 -3.216) 35.341 8.143 ( 6.874 14.779 -2.119) 16.436 9.502 ( 12.006 8.485 5.403) 15.663 11.668 ( -13.202 -10.651 -3.805) 17.384 12.421 ( -0.905 1.349 -4.144) 4.451 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 13.847 13.044 4.137) 19.468 1.294 ( 8.019 18.018 1.069) 19.751 2.361 ( 1.870 5.314 0.719) 5.679 2.749 ( 22.148 17.703 5.226) 28.831 2.968 ( 11.924 10.512 -7.489) 17.572 3.772 ( -3.059 -5.135 3.190) 6.775 6.664 ( -17.118 16.684 0.537) 23.909 7.968 ( 28.908 -2.075 -5.883) 29.573 8.350 ( 9.276 3.623 -1.068) 10.015 9.879 ( 15.086 15.100 13.521) 25.267 11.302 ( -15.587 -11.113 -6.445) 20.199 12.397 ( -0.960 0.130 -5.006) 5.099 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 12.794 12.675 2.769) 18.221 1.603 ( 8.560 15.953 0.351) 18.107 2.445 ( 0.756 6.658 0.983) 6.773 3.145 ( 5.610 3.293 -8.703) 10.866 3.247 ( 15.686 11.036 -0.541) 19.187 3.777 ( 5.853 0.750 9.098) 10.845 6.573 ( -13.742 17.420 0.938) 22.207 8.254 ( 6.278 2.763 -6.774) 9.641 8.641 ( 26.039 -2.871 -0.178) 26.197 10.350 ( 15.010 16.475 18.304) 28.840 10.904 ( -14.841 -10.706 -10.270) 20.985 12.362 ( -0.895 -0.992 -5.250) 5.417 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 9.076 13.096 2.619) 16.148 1.888 ( 9.299 11.768 -0.651) 15.013 2.518 ( -0.573 7.256 0.851) 7.329 3.116 ( -2.586 -2.982 -9.840) 10.603 3.570 ( 11.978 6.271 2.141) 13.689 4.000 ( 11.702 4.261 7.033) 14.303 6.542 ( -11.039 18.198 1.378) 21.329 8.303 ( 2.060 -0.273 -3.985) 4.495 9.066 ( 24.470 -0.011 -2.405) 24.588 10.446 ( -18.811 -4.537 3.462) 19.658 10.886 ( 18.472 9.660 3.927) 21.212 12.316 ( -0.868 -2.055 -5.084) 5.552 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 3.499 13.669 2.080) 14.263 2.139 ( 9.944 6.475 -0.674) 11.886 2.568 ( -2.044 7.062 0.528) 7.371 2.997 ( -3.715 -3.929 -6.703) 8.612 3.793 ( 8.407 3.153 1.875) 9.172 4.233 ( 9.579 1.919 3.876) 10.510 6.554 ( -9.686 18.730 1.480) 21.138 8.325 ( 3.470 -2.321 -1.952) 4.609 9.411 ( 17.434 -1.257 -4.323) 18.006 10.100 ( -17.373 -0.764 -0.115) 17.390 11.292 ( 16.031 7.370 7.206) 19.059 12.261 ( -0.929 -2.994 -4.513) 5.494 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -0.436 11.332 1.249) 11.409 2.330 ( 6.748 3.269 -0.172) 7.500 2.589 ( -3.194 6.250 0.174) 7.022 2.891 ( -2.622 -2.735 -3.910) 5.444 3.925 ( 4.667 0.583 0.669) 4.751 4.375 ( 5.832 -1.234 2.297) 6.388 6.579 ( -9.843 18.806 1.068) 21.253 8.362 ( 5.113 -4.667 -0.369) 6.933 9.556 ( 6.353 -7.617 -5.954) 11.568 9.911 ( -9.465 9.804 1.853) 13.752 11.585 ( 10.310 2.334 4.444) 11.467 12.204 ( -0.500 -3.318 -2.696) 4.305 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -5.082 8.375 0.806) 9.830 2.406 ( 0.397 -0.866 -0.637) 1.146 2.591 ( -3.442 5.937 0.078) 6.863 2.852 ( 1.094 -0.078 -0.857) 1.392 3.965 ( 0.766 -1.783 -0.980) 2.173 4.420 ( 1.782 -3.899 1.605) 4.577 6.588 ( -10.918 18.425 0.311) 21.419 8.387 ( 4.274 -7.183 0.674) 8.385 9.545 ( 4.056 -4.105 -2.362) 6.235 9.900 ( -6.358 9.713 -0.027) 11.609 11.681 ( 0.753 -3.887 -1.531) 4.244 12.187 ( 2.189 -1.945 1.872) 3.475 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -9.879 5.492 0.415) 11.310 2.327 ( -5.880 -4.141 -0.777) 7.233 2.588 ( -4.221 6.218 -0.218) 7.518 2.919 ( 5.132 1.596 2.111) 5.774 3.912 ( -3.106 -3.941 -2.269) 5.507 4.368 ( -2.817 -6.086 0.647) 6.738 6.572 ( -11.844 17.964 -0.412) 21.521 8.372 ( 2.195 -7.189 1.721) 7.711 9.595 ( 4.091 -7.036 2.255) 8.446 9.886 ( -3.753 12.051 -3.505) 13.100 11.539 ( -8.275 -8.426 -5.439) 13.002 12.240 ( 3.759 -0.949 4.881) 6.233 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -13.834 2.754 -0.268) 14.108 2.144 ( -10.196 -4.935 0.268) 11.330 2.562 ( -5.483 5.607 -0.792) 7.882 3.051 ( 6.737 2.091 4.815) 8.541 3.772 ( -6.937 -5.780 -2.723) 9.431 4.207 ( -8.007 -7.970 -1.499) 11.397 6.544 ( -11.771 18.073 -0.776) 21.582 8.348 ( 1.413 -4.927 3.134) 6.008 9.442 ( -9.313 -13.889 2.476) 16.904 10.076 ( 10.245 14.011 -5.412) 18.182 11.235 ( -14.144 -10.323 -4.847) 18.169 12.308 ( 3.201 -0.769 5.396) 6.321 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -16.420 -1.089 -0.902) 16.481 1.898 ( -14.387 -3.183 1.386) 14.800 2.508 ( -6.270 4.398 -1.326) 7.773 3.200 ( 5.509 1.728 8.296) 10.107 3.551 ( -10.911 -7.113 -2.172) 13.205 3.940 ( -11.899 -8.958 -5.667) 15.936 6.533 ( -10.516 19.177 -0.727) 21.883 8.343 ( 0.605 -2.699 4.641) 5.403 9.083 ( -13.211 -20.574 1.374) 24.489 10.351 ( 5.267 11.945 -15.720) 20.434 10.898 ( -9.523 -8.613 5.381) 13.922 12.365 ( 2.347 -0.514 5.327) 5.844 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -18.040 -4.380 -0.880) 18.585 1.611 ( -17.824 -0.929 1.771) 17.936 2.432 ( -6.299 3.064 -1.695) 7.207 3.183 ( -14.416 -7.759 0.928) 16.397 3.301 ( -10.344 -4.176 9.774) 14.832 3.686 ( -2.204 -4.020 -10.537) 11.491 6.566 ( -8.454 21.200 -0.524) 22.830 8.317 ( -4.329 -3.474 6.656) 8.666 8.640 ( -10.733 -25.937 -0.530) 28.075 10.169 ( -20.928 0.779 -20.323) 29.183 11.000 ( 15.227 3.900 10.110) 18.689 12.410 ( 1.488 -0.180 5.025) 5.244 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -18.821 -6.305 -0.584) 19.858 1.298 ( -19.788 0.982 1.765) 19.891 2.350 ( -5.587 1.793 -1.744) 6.122 2.714 ( -27.497 -10.744 -2.321) 29.613 3.026 ( -16.753 -6.269 5.006) 18.575 3.743 ( 8.197 1.442 -3.030) 8.858 6.659 ( -6.191 23.735 -0.516) 24.535 8.014 ( -13.407 -28.247 3.934) 31.513 8.361 ( -6.205 -6.066 1.251) 8.767 9.749 ( -20.656 0.401 -14.261) 25.104 11.359 ( 17.449 5.273 5.871) 19.151 12.441 ( 0.546 0.082 4.282) 4.318 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -18.418 -6.154 -0.277) 19.421 0.979 ( -20.290 2.027 1.394) 20.439 2.077 ( -34.766 -8.619 -2.674) 35.918 2.274 ( -4.287 0.586 -1.213) 4.494 2.703 ( -16.320 -4.029 2.119) 16.943 3.893 ( 7.801 1.294 -0.387) 7.917 6.813 ( -4.214 25.894 -0.789) 26.246 7.501 ( -10.467 -34.069 1.156) 35.659 8.160 ( -16.066 0.362 1.584) 16.148 9.445 ( -11.321 0.219 -6.764) 13.190 11.700 ( 15.917 3.512 2.993) 16.572 12.453 ( -0.587 0.130 2.719) 2.785 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -16.227 0.000 0.000) 16.227 0.657 ( -19.847 0.000 0.000) 19.847 1.393 ( -39.488 0.000 0.000) 39.488 2.217 ( -2.469 0.000 0.000) 2.469 2.432 ( -13.408 0.000 0.000) 13.408 4.014 ( 5.653 -0.000 -0.000) 5.653 6.968 ( -1.623 0.000 0.000) 1.623 7.102 ( -6.577 0.000 0.000) 6.577 7.844 ( -21.063 0.000 0.000) 21.063 9.322 ( -3.087 0.000 0.000) 3.087 11.969 ( 13.034 -0.000 -0.000) 13.034 12.437 ( -2.021 0.000 0.000) 2.021 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.000 15.797 10.683) 19.071 0.765 ( 0.000 16.357 13.062) 20.933 1.639 ( 0.000 38.474 6.825) 39.074 2.175 ( -0.000 1.519 -4.415) 4.668 2.527 ( -0.000 15.664 -0.316) 15.668 3.978 ( -0.000 -7.479 -0.515) 7.497 6.642 ( -0.000 -8.870 -2.157) 9.129 7.525 ( -0.000 24.911 -4.706) 25.352 7.895 ( 0.000 17.537 3.360) 17.856 9.165 ( -0.000 3.962 -14.212) 14.754 11.934 ( 0.000 -13.115 1.724) 13.228 12.460 ( -0.000 2.870 -1.011) 3.043 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.792 17.295 11.701) 20.896 1.060 ( 7.164 17.038 6.882) 19.722 2.123 ( 11.212 33.231 7.290) 35.821 2.227 ( 4.998 2.720 -3.833) 6.861 2.705 ( 2.656 16.591 -1.887) 16.908 3.878 ( -2.139 -8.084 -1.257) 8.456 6.793 ( 25.590 -8.832 -1.324) 27.104 7.480 ( -24.200 26.454 -3.216) 35.997 8.175 ( 5.916 14.550 0.116) 15.707 9.322 ( 16.060 6.182 -6.013) 18.229 11.736 ( -8.037 -13.346 0.898) 15.605 12.460 ( -2.278 2.225 -1.996) 3.758 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 7.186 16.706 7.634) 19.723 1.368 ( 7.054 18.443 4.112) 20.169 2.350 ( 5.891 4.799 -2.031) 7.865 2.655 ( 14.566 25.006 6.726) 29.710 2.918 ( 5.455 14.737 -5.785) 16.746 3.760 ( -2.037 -7.499 0.994) 7.834 7.152 ( 4.724 7.819 0.545) 9.152 7.410 ( 6.981 12.619 -5.394) 15.397 8.323 ( 1.201 5.516 -0.367) 5.657 9.732 ( 21.134 11.942 1.044) 24.297 11.429 ( -13.237 -12.151 -0.040) 17.969 12.422 ( -2.908 1.108 -3.399) 4.609 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 9.942 14.245 3.491) 17.719 1.679 ( 6.437 19.462 3.652) 20.822 2.490 ( 3.714 7.641 -0.648) 8.521 3.066 ( 6.661 8.289 -3.505) 11.197 3.140 ( 10.483 15.276 -3.485) 18.852 3.717 ( 3.216 -2.677 7.075) 8.220 7.103 ( -20.702 26.356 -0.499) 33.518 7.895 ( 34.993 -1.079 -6.287) 35.570 8.360 ( 1.700 -1.154 1.318) 2.441 10.221 ( 20.982 12.397 2.899) 24.542 11.071 ( -16.482 -9.200 1.061) 18.906 12.366 ( -2.625 -0.424 -4.280) 5.038 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 10.568 11.165 0.946) 15.403 1.975 ( 4.626 19.274 3.585) 20.143 2.614 ( 0.682 10.104 -0.173) 10.128 3.085 ( -1.143 -2.065 -11.658) 11.894 3.452 ( 10.511 8.688 2.699) 13.901 3.872 ( 10.059 3.115 7.972) 13.208 7.034 ( -18.467 27.994 -0.321) 33.538 8.270 ( 2.994 2.381 -3.647) 5.285 8.540 ( 30.665 -5.934 -2.256) 31.316 10.600 ( 5.722 -4.882 -11.649) 13.866 10.797 ( -3.800 9.288 17.540) 20.208 12.301 ( -2.019 -2.173 -4.616) 5.487 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 9.777 7.981 -0.076) 12.621 2.223 ( 1.994 17.974 3.210) 18.367 2.702 ( -2.495 11.145 -0.524) 11.432 2.982 ( -2.360 -4.632 -8.718) 10.151 3.683 ( 8.837 3.851 2.390) 9.932 4.092 ( 9.981 1.307 5.088) 11.279 7.021 ( -15.990 28.753 -0.067) 32.900 8.266 ( -0.286 -2.016 0.233) 2.049 8.990 ( 26.935 -4.202 -7.969) 28.402 10.364 ( -13.458 -1.285 -2.389) 13.729 11.128 ( 14.354 8.197 10.318) 19.486 12.229 ( -1.307 -3.943 -4.415) 6.062 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 7.716 4.650 -0.280) 9.013 2.406 ( -1.234 16.166 2.561) 16.414 2.735 ( -4.698 8.595 -1.597) 9.925 2.889 ( -1.875 -1.869 -4.955) 5.618 3.838 ( 6.288 0.575 0.985) 6.391 4.248 ( 7.642 -2.493 3.497) 8.766 7.045 ( -15.167 29.508 -0.073) 33.177 8.243 ( 1.831 -5.650 1.241) 6.067 9.272 ( 15.974 -6.833 -9.970) 20.032 10.195 ( -10.748 9.184 2.071) 14.288 11.430 ( 11.894 2.041 6.399) 13.659 12.157 ( -0.239 -5.251 -3.146) 6.126 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 3.549 0.782 -0.688) 3.699 2.504 ( -5.437 13.737 1.583) 14.859 2.721 ( -3.050 4.840 -1.010) 5.809 2.855 ( -2.159 3.578 -2.304) 4.772 3.909 ( 2.991 -2.129 -1.095) 3.832 4.324 ( 4.795 -5.482 3.189) 7.951 7.071 ( -16.307 29.989 -0.213) 34.137 8.227 ( 4.253 -8.886 1.294) 9.936 9.371 ( 8.654 -6.673 -6.794) 12.868 10.161 ( -9.176 13.913 2.008) 16.786 11.582 ( 5.498 -4.318 0.560) 7.014 12.117 ( 2.503 -4.809 0.634) 5.458 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -2.611 -2.827 -1.430) 4.105 2.494 ( -10.076 10.505 0.502) 14.565 2.743 ( -2.573 8.079 1.437) 8.600 2.869 ( 0.968 3.068 -1.032) 3.379 3.892 ( -0.389 -4.487 -2.819) 5.314 4.322 ( 1.028 -7.238 2.913) 7.870 7.071 ( -18.048 29.637 -0.224) 34.701 8.224 ( 5.304 -8.916 0.949) 10.418 9.430 ( 7.328 -7.048 -1.044) 10.221 10.130 ( -10.388 13.396 -0.973) 16.980 11.529 ( -2.650 -9.171 -4.565) 10.581 12.157 ( 5.328 -3.279 4.321) 7.603 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -7.423 -4.181 -1.127) 8.594 2.382 ( -13.663 7.873 0.009) 15.769 2.755 ( -7.521 10.421 0.611) 12.866 2.958 ( 6.925 1.038 2.061) 7.299 3.795 ( -3.711 -6.134 -3.483) 7.970 4.230 ( -4.062 -8.227 1.615) 9.317 7.045 ( -18.597 29.198 0.004) 34.618 8.240 ( 4.880 -6.086 0.817) 7.844 9.406 ( -1.125 -14.654 3.696) 15.155 10.125 ( -2.367 14.260 -5.052) 15.313 11.315 ( -8.937 -10.468 -5.096) 14.677 12.237 ( 5.318 -2.409 4.897) 7.620 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -11.743 -4.343 -0.567) 12.533 2.194 ( -16.497 5.898 0.074) 17.520 2.702 ( -9.389 8.330 -0.497) 12.561 3.117 ( 8.528 1.693 5.151) 10.106 3.629 ( -7.233 -6.661 -3.395) 10.402 4.030 ( -9.974 -8.692 -0.942) 13.264 7.025 ( -17.632 29.886 0.378) 34.702 8.273 ( 4.195 -3.408 0.867) 5.474 9.100 ( -13.152 -23.453 3.547) 27.122 10.312 ( 8.554 14.237 -8.318) 18.575 11.013 ( -12.983 -10.248 -1.068) 16.575 12.313 ( 4.347 -1.565 4.384) 6.369 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -15.847 -3.769 -0.241) 16.291 1.945 ( -18.647 4.061 0.418) 19.089 2.606 ( -9.484 5.374 -0.972) 10.943 3.277 ( 2.504 0.518 8.710) 9.077 3.416 ( -7.675 -4.319 -2.206) 9.079 3.730 ( -13.567 -8.157 -5.829) 16.869 7.043 ( -15.665 31.444 0.652) 35.136 8.316 ( 3.411 -1.980 0.948) 4.056 8.578 ( -17.240 -30.839 1.805) 35.376 10.458 ( -11.596 9.557 -17.758) 23.262 10.815 ( 7.595 -5.542 10.883) 14.382 12.379 ( 3.255 -0.736 3.496) 4.833 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -19.244 -2.513 -0.147) 19.408 1.653 ( -19.698 2.135 0.625) 19.823 2.488 ( -8.459 2.432 -0.830) 8.841 3.046 ( -20.359 -4.475 -0.258) 20.847 3.290 ( -17.645 -2.454 5.845) 18.750 3.587 ( 8.859 -0.869 -5.363) 10.393 7.112 ( -12.969 31.301 0.497) 33.885 7.970 ( -17.175 -33.182 0.838) 37.373 8.347 ( 1.609 -1.352 0.503) 2.160 10.117 ( -23.862 1.586 -7.374) 25.026 11.099 ( 18.767 1.577 3.487) 19.153 12.429 ( 2.096 -0.154 2.124) 2.988 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -20.746 0.000 0.000) 20.746 1.330 ( -19.952 0.000 0.000) 19.952 2.370 ( -6.666 0.000 0.000) 6.666 2.588 ( -30.069 0.000 0.000) 30.069 2.974 ( -17.753 0.000 0.000) 17.753 3.749 ( 9.728 -0.000 -0.000) 9.728 7.147 ( -8.957 0.000 0.000) 8.957 7.464 ( -15.003 0.000 0.000) 15.003 8.326 ( -4.322 0.000 0.000) 4.322 9.720 ( -21.373 0.000 0.000) 21.373 11.430 ( 18.351 -0.000 -0.000) 18.351 12.456 ( 0.803 -0.000 -0.000) 0.803 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 16.507 11.293) 20.000 1.161 ( 0.000 16.802 9.750) 19.426 2.189 ( -0.000 2.986 -4.959) 5.789 2.399 ( 0.000 34.963 6.938) 35.645 2.851 ( -0.000 17.746 -2.536) 17.927 3.805 ( -0.000 -9.221 -1.641) 9.366 6.486 ( -0.000 -6.134 -0.784) 6.183 7.997 ( -0.000 24.995 -4.473) 25.393 8.268 ( 0.000 18.884 2.073) 18.998 9.169 ( -0.000 4.296 -9.302) 10.246 11.669 ( 0.000 -14.880 2.121) 15.031 12.500 ( -0.000 1.887 -0.916) 2.097 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.399 17.194 9.886) 19.837 1.426 ( 7.125 16.176 7.118) 19.055 2.266 ( 6.514 4.013 -4.087) 8.674 2.788 ( 4.913 29.535 7.028) 30.755 3.014 ( 0.538 16.801 -6.180) 17.909 3.706 ( -0.674 -8.406 0.562) 8.452 6.648 ( 24.231 -5.437 -0.278) 24.835 8.003 ( -22.481 28.740 -4.591) 36.775 8.397 ( -2.978 7.867 0.986) 8.470 9.439 ( 23.108 9.252 -6.474) 25.720 11.478 ( -6.473 -13.600 2.746) 15.310 12.484 ( -3.167 1.436 -1.545) 3.805 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 4.013 15.488 5.526) 16.927 1.743 ( 8.720 16.813 5.779) 19.802 2.439 ( 8.886 5.707 -2.609) 10.879 3.089 ( 0.792 10.443 -4.489) 11.394 3.183 ( 4.139 20.074 -2.001) 20.594 3.665 ( 2.232 -2.078 6.641) 7.308 7.119 ( 34.689 -3.857 -0.221) 34.903 7.865 ( -23.131 28.817 -6.296) 37.485 8.395 ( -2.806 2.775 1.581) 4.251 9.928 ( 24.327 8.214 -5.103) 26.179 11.228 ( -10.539 -9.075 5.097) 14.813 12.420 ( -4.649 0.546 -2.671) 5.389 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 6.482 12.621 2.166) 14.352 2.066 ( 7.688 16.940 4.916) 19.241 2.641 ( 7.322 8.357 -1.548) 11.218 3.067 ( -3.063 -0.612 -12.768) 13.144 3.427 ( 5.003 11.267 3.822) 12.906 3.794 ( 6.474 5.982 7.923) 11.852 7.565 ( 0.196 15.266 1.384) 15.330 7.892 ( 17.663 8.855 -9.674) 22.000 8.372 ( -3.955 3.071 1.437) 5.209 10.322 ( 17.948 -0.029 -7.574) 19.480 11.028 ( -8.981 0.923 11.221) 14.402 12.328 ( -4.739 -1.052 -3.617) 6.054 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 7.416 9.415 0.487) 11.995 2.350 ( 5.071 16.189 4.030) 17.436 2.824 ( 2.944 11.575 -1.161) 12.000 2.945 ( -3.218 -4.619 -10.725) 12.112 3.606 ( 5.933 4.708 3.852) 8.498 3.984 ( 6.701 4.176 5.168) 9.437 7.569 ( -15.493 24.506 -1.248) 29.019 8.324 ( -5.809 4.292 1.061) 7.300 8.400 ( 33.856 -3.522 -9.385) 35.308 10.434 ( 1.947 -3.469 -5.866) 7.088 11.083 ( 4.301 7.747 13.410) 16.073 12.220 ( -3.992 -3.264 -4.184) 6.640 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 6.879 5.975 -0.158) 9.113 2.573 ( 1.846 15.296 3.048) 15.705 2.817 ( -2.977 -3.842 -7.511) 8.947 2.952 ( -1.315 11.815 -1.338) 11.963 3.745 ( 6.008 0.807 2.629) 6.608 4.117 ( 5.851 -1.209 3.328) 6.839 7.568 ( -12.450 25.072 -1.956) 28.061 8.241 ( -5.906 -0.562 0.534) 5.957 8.840 ( 24.575 -3.291 -9.714) 26.629 10.409 ( -3.674 6.425 0.411) 7.413 11.295 ( 8.745 2.548 9.359) 13.060 12.108 ( -2.372 -5.760 -3.962) 7.383 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 4.709 2.341 -0.560) 5.289 2.710 ( -1.200 6.499 -2.680) 7.131 2.745 ( -1.819 4.974 0.499) 5.319 3.008 ( -4.902 11.749 -1.382) 12.806 3.830 ( 3.676 -1.566 -0.008) 3.995 4.186 ( 5.529 -5.879 3.354) 8.740 7.620 ( -11.664 27.937 -2.510) 30.378 8.129 ( -2.968 -6.284 0.808) 6.997 9.102 ( 13.945 -3.085 -7.283) 16.032 10.441 ( -5.753 13.660 2.613) 15.051 11.443 ( 6.191 -3.846 3.770) 8.205 12.021 ( 1.307 -7.173 -1.453) 7.434 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 0.221 -1.180 -1.360) 1.814 2.717 ( 1.411 1.261 -1.849) 2.645 2.781 ( -6.074 10.056 1.749) 11.877 3.025 ( -5.979 11.889 -0.605) 13.322 3.832 ( 0.653 -4.430 -2.987) 5.382 4.215 ( 4.230 -7.641 4.112) 9.653 7.672 ( -16.109 30.347 -2.439) 34.444 8.061 ( 3.906 -8.018 1.222) 9.002 9.228 ( 7.781 -4.649 -2.978) 9.541 10.453 ( -10.626 14.385 1.759) 17.971 11.435 ( 0.834 -9.411 -3.036) 9.924 12.025 ( 6.251 -5.800 2.868) 8.997 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -4.229 -2.657 -1.357) 5.175 2.678 ( -11.543 7.831 -0.648) 13.964 2.837 ( 6.280 1.320 1.867) 6.683 3.025 ( -8.332 12.061 0.126) 14.660 3.757 ( -1.170 -7.046 -4.249) 8.310 4.195 ( 0.245 -7.260 3.542) 8.082 7.647 ( -17.422 25.450 -0.656) 30.849 8.114 ( 5.150 0.762 0.019) 5.206 9.247 ( 3.334 -12.133 1.290) 12.648 10.378 ( -12.229 12.035 -1.007) 17.188 11.300 ( -3.293 -10.407 -4.924) 11.975 12.111 ( 7.554 -3.825 3.946) 9.342 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -8.237 -2.588 -0.747) 8.667 2.516 ( -14.831 5.480 -0.495) 15.818 2.963 ( -8.141 6.734 -1.016) 10.614 2.995 ( 6.085 4.171 4.009) 8.396 3.639 ( -3.114 -7.115 -3.878) 8.681 4.094 ( -5.697 -6.111 1.763) 8.539 7.608 ( -15.277 23.925 0.903) 28.401 8.208 ( 1.454 6.299 -1.547) 6.647 9.059 ( -7.142 -23.415 3.629) 24.748 10.347 ( -1.757 10.523 -3.742) 11.306 11.100 ( -8.302 -8.291 -2.822) 12.068 12.215 ( 6.611 -2.115 3.090) 7.598 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -12.307 -1.698 -0.228) 12.426 2.286 ( -17.183 2.846 -0.149) 17.418 2.835 ( -11.811 4.342 -0.383) 12.589 3.184 ( 10.144 1.931 3.795) 11.001 3.490 ( -6.673 -4.471 -2.952) 8.558 3.894 ( -12.364 -4.062 -0.186) 13.015 7.605 ( -13.633 23.688 1.437) 27.369 8.265 ( -1.030 5.841 -3.537) 6.906 8.601 ( -16.314 -27.927 3.945) 32.583 10.505 ( 9.840 8.920 -5.618) 14.421 10.839 ( -13.568 -7.071 1.959) 15.425 12.308 ( 5.175 -0.782 1.722) 5.510 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -16.209 0.000 0.000) 16.209 1.993 ( -19.050 0.000 0.000) 19.050 2.663 ( -10.676 0.000 0.000) 10.676 3.300 ( -12.589 0.000 0.000) 12.589 3.387 ( 11.238 -0.000 -0.000) 11.238 3.610 ( -18.078 0.000 0.000) 18.078 7.543 ( -13.146 0.000 0.000) 13.146 8.075 ( -19.678 0.000 0.000) 19.678 8.318 ( 0.587 -0.000 -0.000) 0.587 10.498 ( -20.958 0.000 0.000) 20.958 10.798 ( 17.615 -0.000 -0.000) 17.615 12.382 ( 3.673 -0.000 -0.000) 3.673 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 16.424 11.288) 19.929 1.526 ( 0.000 15.265 6.754) 16.693 2.230 ( -0.000 4.242 -4.536) 6.210 3.047 ( 0.000 23.838 5.717) 24.514 3.154 ( -0.000 17.734 -9.484) 20.111 3.642 ( 0.000 -5.330 3.766) 6.527 6.398 ( 0.000 -2.941 0.835) 3.057 8.386 ( -0.000 15.839 -1.649) 15.925 8.645 ( 0.000 18.866 0.355) 18.869 9.226 ( -0.000 7.680 -11.017) 13.430 11.408 ( 0.000 -12.768 3.516) 13.243 12.523 ( -0.000 1.101 -0.778) 1.348 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.817 14.856 6.819) 16.367 1.774 ( 7.337 14.893 7.576) 18.249 2.330 ( 7.638 4.838 -3.589) 9.728 3.155 ( -1.506 4.112 -12.208) 12.970 3.346 ( 0.622 18.740 2.569) 18.925 3.674 ( 1.272 7.299 8.602) 11.353 6.578 ( 22.564 -2.065 1.028) 22.681 8.490 ( -2.578 12.213 -0.541) 12.494 8.526 ( -24.468 16.781 -3.473) 29.872 9.562 ( 24.349 7.190 -8.851) 26.887 11.277 ( -4.041 -8.621 5.091) 10.797 12.497 ( -3.741 0.762 -1.146) 3.986 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 1.850 12.642 3.300) 13.196 2.082 ( 9.402 14.006 6.266) 17.995 2.536 ( 11.193 5.805 -2.588) 12.872 3.070 ( -3.052 -3.007 -13.889) 14.535 3.505 ( 0.623 10.013 5.042) 11.228 3.846 ( 1.726 14.426 7.217) 16.223 7.062 ( 34.941 -1.919 -0.067) 34.993 8.261 ( -19.700 10.236 -2.608) 22.353 8.552 ( -7.072 17.332 -3.783) 19.098 9.970 ( 21.231 0.713 -6.865) 22.325 11.166 ( -4.628 -1.555 7.902) 9.289 12.411 ( -6.185 0.092 -1.980) 6.495 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 4.012 9.967 1.225) 10.814 2.383 ( 8.651 12.447 4.437) 15.794 2.777 ( 9.933 5.522 -2.926) 11.735 2.946 ( -2.368 -2.234 -10.460) 10.955 3.604 ( 1.206 4.461 4.875) 6.717 4.012 ( 0.467 11.054 4.766) 12.047 7.637 ( 32.392 -2.546 -0.885) 32.504 8.077 ( -9.452 8.434 -4.956) 13.603 8.564 ( -9.692 17.076 -4.326) 20.106 10.242 ( 14.147 -1.599 -3.977) 14.782 11.158 ( -0.846 3.598 10.001) 10.662 12.284 ( -7.261 -1.307 -2.901) 7.927 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 4.794 6.793 0.177) 8.316 2.634 ( 6.326 10.248 1.091) 12.092 2.787 ( -1.187 -4.329 -6.108) 7.580 3.049 ( 4.935 11.747 -2.411) 12.968 3.672 ( 3.373 -0.591 4.540) 5.687 4.096 ( -0.981 4.807 2.584) 5.545 7.855 ( -3.308 4.350 1.300) 5.618 8.216 ( 16.497 -4.027 -13.472) 21.676 8.594 ( -1.585 18.868 0.083) 18.934 10.425 ( 7.575 4.677 -0.385) 8.910 11.246 ( 3.646 1.592 9.831) 10.606 12.127 ( -7.137 -3.671 -3.703) 8.839 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 4.203 3.436 -0.358) 5.440 2.673 ( 0.029 -3.759 -6.808) 7.777 2.866 ( 3.231 10.977 3.764) 12.046 3.184 ( -2.167 11.925 -2.513) 12.378 3.745 ( 5.502 -2.480 3.387) 6.921 4.096 ( -0.765 -2.214 1.500) 2.782 7.861 ( -0.609 5.339 0.647) 5.412 8.211 ( -4.521 -0.961 -10.806) 11.753 8.886 ( 11.484 12.857 -0.387) 17.243 10.597 ( 2.856 11.508 1.490) 11.950 11.341 ( 4.372 -3.056 7.607) 9.290 11.960 ( -4.509 -6.893 -3.598) 8.988 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 1.802 0.313 -0.951) 2.062 2.647 ( 2.744 -2.147 -3.167) 4.709 3.000 ( -3.053 11.563 2.213) 12.162 3.214 ( -4.023 9.236 -1.432) 10.175 3.791 ( -0.014 -1.429 -1.068) 1.784 4.071 ( 3.986 -7.739 3.242) 9.289 7.935 ( 4.087 -0.563 1.727) 4.473 8.094 ( -7.546 9.284 -7.977) 14.380 9.125 ( 4.095 7.913 -0.152) 8.911 10.728 ( -3.480 13.537 2.430) 14.187 11.340 ( -0.848 -7.440 0.649) 7.516 11.866 ( 4.094 -8.088 0.001) 9.066 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -1.601 -1.244 -1.098) 2.306 2.705 ( 5.911 -0.454 -0.682) 5.967 2.970 ( -10.636 7.174 0.085) 12.829 3.261 ( -3.498 11.503 1.477) 12.114 3.702 ( -3.605 -6.479 -4.302) 8.572 4.099 ( 4.816 -6.040 3.676) 8.555 7.901 ( -2.369 -4.025 -0.493) 4.696 8.194 ( 1.586 18.914 -2.667) 19.167 9.163 ( -3.701 -1.468 1.156) 4.146 10.720 ( -13.259 11.179 2.473) 17.518 11.212 ( -1.040 -10.026 -4.639) 11.096 11.934 ( 9.561 -4.897 2.506) 11.030 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -4.898 -1.050 -0.544) 5.038 2.771 ( -6.497 2.136 -0.492) 6.857 2.869 ( 1.588 1.103 0.546) 2.009 3.265 ( -10.999 10.362 2.021) 15.246 3.575 ( 0.160 -8.160 -3.654) 8.942 4.106 ( -0.223 -3.085 1.762) 3.560 7.843 ( -2.044 0.378 0.086) 2.081 8.409 ( -0.272 21.983 -1.832) 22.061 8.971 ( -9.637 -16.181 2.239) 18.966 10.555 ( -13.620 5.533 -0.151) 14.702 11.109 ( -1.840 -5.379 -2.471) 6.199 12.070 ( 9.090 -1.822 1.606) 9.409 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -8.541 0.000 0.000) 8.541 2.570 ( -14.917 0.000 0.000) 14.917 2.986 ( 5.050 -0.000 -0.000) 5.050 3.116 ( -8.790 0.000 0.000) 8.790 3.530 ( -1.533 0.000 0.000) 1.533 4.037 ( -6.539 0.000 0.000) 6.539 7.824 ( -2.307 0.000 0.000) 2.307 8.565 ( -4.826 0.000 0.000) 4.826 8.566 ( -16.279 0.000 0.000) 16.279 10.448 ( -1.086 0.000 0.000) 1.086 11.000 ( -8.103 0.000 0.000) 8.103 12.202 ( 7.175 -0.000 -0.000) 7.175 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 0.000 12.361 4.191) 13.052 1.862 ( 0.000 14.798 10.231) 17.990 2.293 ( -0.000 4.693 -3.691) 5.970 3.123 ( -0.000 -3.687 -15.204) 15.644 3.503 ( 0.000 11.950 5.051) 12.974 3.825 ( 0.000 18.626 7.846) 20.211 6.380 ( 0.000 0.026 2.339) 2.339 8.590 ( 0.000 5.848 1.940) 6.162 8.996 ( -0.000 17.231 -1.216) 17.274 9.293 ( -0.000 6.027 -14.823) 16.002 11.252 ( 0.000 -5.287 5.071) 7.326 12.535 ( -0.000 0.534 -0.588) 0.794 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -1.337 11.102 3.405) 11.689 2.092 ( 6.541 12.660 7.661) 16.179 2.404 ( 8.421 4.745 -2.922) 10.098 3.014 ( -1.166 -6.469 -13.940) 15.412 3.612 ( -0.600 8.314 4.903) 9.670 4.032 ( -0.809 19.039 6.155) 20.025 6.575 ( 20.674 0.506 2.010) 20.777 8.552 ( -10.589 0.606 3.581) 11.194 8.910 ( -13.856 18.933 -10.380) 25.655 9.596 ( 21.780 2.137 -6.824) 22.924 11.225 ( -1.606 -0.301 5.654) 5.885 12.501 ( -4.139 0.314 -0.784) 4.224 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.745 9.230 1.646) 9.405 2.355 ( 8.599 10.168 5.307) 14.335 2.625 ( 12.139 4.641 -2.633) 13.260 2.893 ( -0.541 -5.894 -10.979) 12.473 3.672 ( -1.646 4.904 4.129) 6.619 4.184 ( -3.034 14.848 4.527) 15.817 7.038 ( 31.957 -0.618 -0.244) 31.964 8.335 ( -14.381 0.930 1.808) 14.524 8.873 ( -8.692 16.127 -11.148) 21.445 9.942 ( 19.377 1.130 -1.654) 19.480 11.230 ( -1.464 2.543 6.092) 6.762 12.401 ( -7.414 -0.079 -1.309) 7.529 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 2.261 6.709 0.498) 7.097 2.595 ( 7.510 6.823 0.409) 10.155 2.732 ( 1.280 -3.454 -4.728) 5.993 2.969 ( 12.998 5.888 -2.758) 14.534 3.677 ( -2.285 0.738 3.681) 4.395 4.240 ( -5.684 9.410 2.745) 11.331 7.553 ( 29.424 -3.982 -3.556) 29.904 8.147 ( -8.733 1.866 -0.515) 8.945 8.858 ( -6.264 14.485 -7.315) 17.394 10.272 ( 16.065 5.721 1.120) 17.090 11.251 ( -0.323 0.485 6.263) 6.290 12.245 ( -9.779 -1.002 -1.958) 10.023 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 2.724 3.803 -0.136) 4.680 2.616 ( -0.229 -3.511 -6.819) 7.673 2.860 ( 8.201 6.365 3.488) 10.951 3.242 ( 9.117 9.624 -3.011) 13.595 3.648 ( 0.496 -4.351 4.390) 6.201 4.194 ( -8.033 3.857 1.055) 8.973 7.826 ( 9.001 -4.683 -2.289) 10.401 8.103 ( 3.087 -1.003 -6.535) 7.297 8.956 ( 2.520 16.382 -1.129) 16.614 10.593 ( 11.088 11.418 1.234) 15.964 11.263 ( 2.192 -4.934 6.527) 8.470 12.041 ( -11.255 -2.845 -2.645) 11.907 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 2.051 1.188 -0.513) 2.425 2.578 ( 1.470 -2.286 -3.512) 4.441 3.066 ( 6.977 7.040 2.517) 10.226 3.356 ( -4.883 7.090 -3.549) 9.311 3.706 ( 9.827 -3.253 3.913) 11.067 4.060 ( -8.928 -1.775 0.122) 9.104 7.872 ( 2.900 -2.335 0.402) 3.745 8.116 ( 2.865 -1.239 -7.631) 8.245 9.193 ( 4.753 14.094 0.918) 14.902 10.842 ( 3.569 12.279 0.361) 12.792 11.280 ( 4.139 -6.945 5.527) 9.794 11.812 ( -8.647 -5.702 -2.682) 10.700 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.196 -0.204 -0.533) 0.603 2.607 ( 4.402 -0.707 -0.989) 4.567 3.195 ( -6.386 6.862 1.059) 9.433 3.309 ( 3.149 0.815 -0.744) 3.337 3.792 ( -8.580 2.666 -1.894) 9.182 3.942 ( 6.650 -6.498 2.541) 9.638 7.877 ( 0.169 -2.384 0.107) 2.393 8.190 ( 7.755 2.955 -3.309) 8.935 9.309 ( -4.912 6.903 0.906) 8.521 10.960 ( -0.302 7.514 2.049) 7.794 11.202 ( -9.794 -5.080 -1.372) 11.118 11.731 ( 7.490 -4.708 0.331) 8.853 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -2.083 0.000 0.000) 2.083 2.698 ( 6.673 -0.000 -0.000) 6.673 3.042 ( -11.971 0.000 0.000) 11.971 3.435 ( 6.464 -0.000 -0.000) 6.464 3.570 ( -14.177 0.000 0.000) 14.177 4.048 ( 5.590 -0.000 -0.000) 5.590 7.855 ( -0.780 0.000 0.000) 0.780 8.378 ( 11.188 -0.000 -0.000) 11.188 9.162 ( -15.091 0.000 0.000) 15.091 10.873 ( -19.127 0.000 0.000) 19.127 11.059 ( 3.084 -0.000 -0.000) 3.084 11.889 ( 11.239 -0.000 -0.000) 11.239 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 0.000 8.800 2.040) 9.033 2.176 ( 0.000 11.370 8.241) 14.042 2.362 ( -0.000 4.332 -2.917) 5.222 2.913 ( -0.000 -7.379 -12.701) 14.689 3.706 ( 0.000 6.764 3.993) 7.855 4.243 ( 0.000 17.973 5.160) 18.699 6.419 ( 0.000 1.956 3.157) 3.714 8.672 ( 0.000 1.748 2.891) 3.378 9.249 ( -0.000 -1.161 -13.838) 13.886 9.290 ( -0.000 13.880 -2.070) 14.033 11.265 ( 0.000 2.742 4.523) 5.289 12.538 ( -0.000 0.160 -0.414) 0.444 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -0.966 7.271 1.218) 7.436 2.345 ( 5.134 8.561 6.120) 11.709 2.474 ( 8.820 4.116 -2.432) 10.033 2.802 ( -0.363 -6.756 -10.369) 12.381 3.760 ( -1.609 4.605 3.063) 5.760 4.395 ( -2.716 14.296 4.021) 15.097 6.612 ( 18.510 1.669 2.165) 18.710 8.578 ( -12.153 0.095 3.064) 12.534 9.075 ( -7.252 5.240 -12.752) 15.577 9.632 ( 19.125 5.116 -0.859) 19.816 11.302 ( -1.390 4.165 3.824) 5.823 12.501 ( -4.335 0.063 -0.493) 4.363 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 0.271 5.522 0.444) 5.546 2.536 ( 6.962 5.697 2.505) 9.338 2.650 ( 4.250 -1.093 -4.363) 6.188 2.769 ( 10.590 -0.198 -3.631) 11.197 3.757 ( -3.653 1.997 2.240) 4.727 4.448 ( -6.050 9.668 2.689) 11.718 7.028 ( 27.698 -0.221 -0.575) 27.705 8.356 ( -13.653 0.149 1.879) 13.783 9.004 ( -3.332 5.031 -9.819) 11.525 10.020 ( 20.389 5.919 1.478) 21.282 11.310 ( -3.042 2.319 3.278) 5.037 12.393 ( -8.145 -0.043 -0.700) 8.175 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 1.121 3.222 -0.036) 3.411 2.576 ( -0.810 -2.358 -5.314) 5.870 2.762 ( 9.414 3.187 2.681) 10.294 3.053 ( 17.474 3.554 -1.264) 17.876 3.692 ( -5.468 -0.598 1.829) 5.796 4.396 ( -9.237 5.126 1.317) 10.646 7.461 ( 24.071 -2.759 -3.183) 24.437 8.167 ( -8.922 0.382 0.483) 8.943 9.019 ( 2.071 6.222 -4.329) 7.858 10.434 ( 19.719 8.159 1.584) 21.399 11.258 ( -4.350 -2.145 2.914) 5.658 12.222 ( -11.562 -0.436 -0.912) 11.606 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 1.468 1.106 -0.192) 1.848 2.537 ( 0.120 -1.395 -2.354) 2.739 2.963 ( 10.108 2.392 1.304) 10.468 3.376 ( 15.438 5.339 -2.454) 16.518 3.579 ( -5.483 -4.031 2.840) 7.375 4.251 ( -11.842 1.448 0.273) 11.933 7.729 ( 12.058 -2.399 -2.205) 12.490 8.073 ( -2.278 -0.227 -1.008) 2.501 9.172 ( 8.795 5.876 -0.541) 10.591 10.835 ( 15.597 11.090 -0.037) 19.138 11.151 ( -2.575 -8.307 2.911) 9.171 11.992 ( -14.447 -1.028 -0.937) 14.514 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 1.197 -0.000 -0.000) 1.197 2.545 ( 2.146 -0.000 -0.000) 2.146 3.148 ( 9.894 -0.000 -0.000) 9.894 3.410 ( -9.685 0.000 0.000) 9.685 3.686 ( 15.340 -0.000 -0.000) 15.340 4.040 ( -13.500 0.000 0.000) 13.500 7.841 ( 3.653 -0.000 -0.000) 3.653 8.083 ( 4.048 -0.000 -0.000) 4.048 9.344 ( 5.628 -0.000 -0.000) 5.628 11.008 ( -3.216 0.000 0.000) 3.216 11.189 ( 11.793 -0.000 -0.000) 11.793 11.740 ( -12.100 0.000 0.000) 12.100 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 4.997 0.306) 5.006 2.385 ( 0.000 4.711 4.406) 6.450 2.433 ( -0.000 5.316 -1.027) 5.414 2.716 ( -0.000 -5.587 -8.280) 9.989 3.824 ( 0.000 3.476 2.209) 4.119 4.557 ( 0.000 11.387 3.141) 11.812 6.482 ( 0.000 2.236 2.747) 3.542 8.710 ( 0.000 0.865 1.773) 1.972 9.116 ( -0.000 -4.344 -8.652) 9.682 9.503 ( -0.000 9.016 -1.878) 9.209 11.371 ( 0.000 4.892 2.572) 5.527 12.537 ( -0.000 -0.055 -0.281) 0.286 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -0.404 3.442 -0.082) 3.467 2.481 ( 5.929 2.585 2.253) 6.849 2.544 ( 6.768 4.050 -0.694) 7.918 2.647 ( 0.426 -3.955 -5.008) 6.396 3.835 ( -2.449 1.865 1.389) 3.377 4.626 ( -3.793 7.388 2.046) 8.554 6.654 ( 16.560 1.312 1.370) 16.668 8.595 ( -12.800 0.119 1.633) 12.904 9.032 ( -1.617 -1.092 -7.210) 7.469 9.744 ( 17.482 5.074 0.023) 18.204 11.399 ( -2.614 3.394 1.725) 4.618 12.499 ( -4.331 -0.033 -0.251) 4.339 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 0.140 1.748 -0.109) 1.757 2.567 ( -1.347 -0.883 -2.722) 3.162 2.636 ( 8.524 1.122 1.365) 8.706 2.785 ( 15.328 1.144 -0.466) 15.378 3.787 ( -4.871 0.424 0.667) 4.935 4.586 ( -7.465 3.306 0.905) 8.215 7.022 ( 24.513 -0.089 -0.340) 24.516 8.366 ( -13.547 0.033 0.750) 13.568 9.008 ( 1.011 0.695 -3.451) 3.663 10.128 ( 22.267 3.191 0.668) 22.504 11.354 ( -5.701 0.786 0.991) 5.839 12.390 ( -8.397 0.001 -0.210) 8.400 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.721 -0.000 -0.000) 0.721 2.534 ( -1.043 0.000 0.000) 1.043 2.804 ( 10.022 -0.000 -0.000) 10.022 3.084 ( 18.754 -0.000 -0.000) 18.754 3.690 ( -6.806 0.000 0.000) 6.806 4.451 ( -10.375 0.000 0.000) 10.375 7.423 ( 21.876 -0.000 -0.000) 21.876 8.172 ( -9.129 0.000 0.000) 9.129 9.064 ( 5.734 -0.000 -0.000) 5.734 10.533 ( 22.878 -0.000 -0.000) 22.878 11.238 ( -7.967 0.000 0.000) 7.967 12.216 ( -12.177 0.000 0.000) 12.177 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.000 1.450 -0.342) 1.490 2.436 ( 0.000 0.898 0.145) 0.910 2.527 ( 0.000 2.526 0.998) 2.716 2.608 ( -0.000 -1.906 -2.677) 3.287 3.875 ( 0.000 1.014 0.697) 1.230 4.719 ( 0.000 3.861 1.063) 4.005 6.527 ( 0.000 0.959 1.092) 1.453 8.730 ( 0.000 0.491 0.409) 0.639 9.010 ( -0.000 -2.264 -2.713) 3.533 9.613 ( -0.000 3.126 -0.751) 3.215 11.455 ( 0.000 2.163 0.788) 2.302 12.534 ( -0.000 -0.062 -0.110) 0.126 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -0.095 0.000 0.000) 0.095 2.507 ( 7.114 -0.000 -0.000) 7.114 2.583 ( -1.270 0.000 0.000) 1.270 2.597 ( 7.021 -0.000 -0.000) 7.021 3.857 ( -2.797 0.000 0.000) 2.797 4.704 ( -4.146 0.000 0.000) 4.146 6.672 ( 15.742 -0.000 -0.000) 15.742 8.602 ( -13.050 0.000 0.000) 13.050 8.994 ( 0.095 -0.000 -0.000) 0.095 9.796 ( 17.529 -0.000 -0.000) 17.529 11.439 ( -3.282 0.000 0.000) 3.282 12.497 ( -4.288 0.000 0.000) 4.288 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.181 ( 0.000 -0.000 19.604) 19.604 0.181 ( 0.000 -0.000 19.604) 19.604 0.381 ( 0.000 -0.000 41.062) 41.062 2.174 ( -0.000 0.000 -1.887) 1.887 2.174 ( -0.000 0.000 -1.887) 1.887 4.628 ( -0.000 0.000 -3.495) 3.495 6.988 ( -0.000 0.000 -1.868) 1.868 6.988 ( -0.000 0.000 -1.868) 1.868 7.371 ( 0.000 -0.000 1.557) 1.557 7.371 ( 0.000 -0.000 1.557) 1.557 12.287 ( 0.000 -0.000 0.646) 0.646 12.332 ( 0.000 -0.000 0.561) 0.561 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 10.682 6.167 10.817) 16.406 0.399 ( 7.648 4.416 18.345) 20.360 0.961 ( 31.614 18.252 18.483) 40.917 2.194 ( 1.570 0.907 -0.955) 2.049 2.240 ( 7.216 4.166 -3.727) 9.128 4.125 ( -8.491 -4.902 5.814) 11.399 6.885 ( -8.358 -4.825 0.944) 9.697 7.160 ( 14.293 8.252 -1.773) 16.600 7.500 ( 11.453 6.612 -2.148) 13.398 9.015 ( 31.004 17.900 -40.178) 53.814 12.114 ( -10.938 -6.315 -0.403) 12.637 12.368 ( 1.908 1.102 -2.283) 3.173 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 13.187 7.613 7.388) 16.924 0.668 ( 12.394 7.156 9.746) 17.315 1.728 ( 31.682 18.292 11.588) 38.375 2.237 ( 2.346 1.354 -0.081) 2.710 2.460 ( 12.936 7.469 -4.868) 15.710 3.984 ( -5.845 -3.375 -0.322) 6.757 6.693 ( -8.396 -4.847 1.125) 9.760 7.550 ( 19.364 11.180 -3.408) 22.618 7.801 ( 15.483 8.939 -2.680) 18.078 9.376 ( 13.064 7.543 -1.714) 15.183 11.828 ( -13.743 -7.934 -4.874) 16.600 12.386 ( 0.655 0.378 -4.125) 4.193 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 14.028 8.099 6.289) 17.376 1.003 ( 15.154 8.749 3.963) 17.942 2.297 ( 2.879 1.662 0.550) 3.369 2.432 ( 28.013 16.174 7.624) 33.233 2.760 ( 14.576 8.415 -6.307) 17.974 3.858 ( -5.092 -2.940 0.652) 5.916 6.529 ( -6.365 -3.675 1.162) 7.441 7.936 ( 15.150 8.747 -6.520) 18.669 8.168 ( 17.701 10.219 -2.380) 20.577 9.699 ( 15.010 8.666 13.483) 21.959 11.472 ( -16.052 -9.268 -8.057) 20.211 12.377 ( -0.042 -0.024 -5.084) 5.085 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 13.791 7.962 5.434) 16.826 1.359 ( 15.669 9.047 0.871) 18.114 2.367 ( 3.041 1.756 0.881) 3.620 3.013 ( 20.932 12.085 5.364) 24.758 3.029 ( 10.944 6.318 -10.913) 16.697 3.797 ( 0.094 0.054 5.814) 5.815 6.420 ( -3.707 -2.140 1.565) 4.557 8.168 ( 7.705 4.449 -7.218) 11.457 8.572 ( 18.624 10.753 -1.924) 21.591 10.138 ( 18.984 10.961 19.067) 29.053 11.067 ( -17.099 -9.872 -10.866) 22.537 12.355 ( -0.471 -0.272 -5.318) 5.346 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 12.400 7.159 4.353) 14.965 1.701 ( 14.582 8.419 -0.543) 16.846 2.435 ( 2.715 1.567 0.974) 3.282 3.109 ( 0.449 0.259 -11.440) 11.452 3.432 ( 14.817 8.555 2.619) 17.309 3.931 ( 8.981 5.185 8.385) 13.336 6.371 ( -1.224 -0.707 2.148) 2.572 8.266 ( 3.449 1.991 -5.564) 6.842 8.979 ( 17.769 10.259 -1.560) 20.577 10.553 ( -4.134 -2.387 17.094) 17.748 10.728 ( 6.536 3.774 -10.848) 13.215 12.324 ( -0.899 -0.519 -5.002) 5.109 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 9.933 5.735 3.186) 11.904 2.003 ( 12.367 7.140 -0.953) 14.312 2.491 ( 1.894 1.093 0.923) 2.373 3.032 ( -3.520 -2.032 -8.833) 9.723 3.713 ( 9.838 5.680 2.097) 11.551 4.175 ( 9.474 5.470 5.897) 12.428 6.371 ( 0.352 0.203 2.475) 2.508 8.317 ( 2.811 1.623 -3.386) 4.691 9.344 ( 14.821 8.557 -1.360) 17.167 10.195 ( -16.994 -9.811 -5.125) 20.281 11.140 ( 17.863 10.313 8.439) 22.286 12.284 ( -1.399 -0.808 -4.253) 4.550 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 6.567 3.791 2.263) 7.913 2.244 ( 9.106 5.257 -0.862) 10.550 2.523 ( 0.787 0.455 0.747) 1.176 2.925 ( -3.606 -2.082 -6.079) 7.368 3.891 ( 5.611 3.240 0.916) 6.544 4.364 ( 5.839 3.371 4.042) 7.861 6.392 ( 0.665 0.384 2.217) 2.346 8.381 ( 3.521 2.033 -1.290) 4.266 9.621 ( 9.908 5.721 -1.282) 11.513 9.834 ( -13.072 -7.547 -5.474) 16.056 11.506 ( 12.292 7.097 5.710) 15.299 12.237 ( -1.642 -0.948 -2.629) 3.242 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 2.264 1.307 1.847) 3.201 2.391 ( 3.735 2.156 -0.952) 4.417 2.532 ( -0.086 -0.050 0.330) 0.345 2.853 ( -0.913 -0.527 -3.264) 3.430 3.971 ( 1.536 0.887 -0.833) 1.960 4.459 ( 1.536 0.887 3.260) 3.711 6.406 ( -0.045 -0.026 1.408) 1.409 8.452 ( 2.304 1.330 0.557) 2.718 9.609 ( -4.775 -2.757 -4.484) 7.107 9.771 ( 3.616 2.088 -1.222) 4.351 11.698 ( 3.284 1.896 0.056) 3.793 12.211 ( 0.012 0.007 1.374) 1.375 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -2.835 -1.637 1.863) 3.766 2.388 ( -3.573 -2.063 -1.318) 4.331 2.526 ( -0.455 -0.263 -0.359) 0.636 2.883 ( 3.920 2.263 -0.147) 4.529 3.956 ( -2.329 -1.345 -2.342) 3.566 4.452 ( -3.045 -1.758 2.547) 4.341 6.396 ( -1.025 -0.592 0.412) 1.253 8.468 ( -1.200 -0.693 2.281) 2.669 9.615 ( 6.348 3.665 -3.891) 8.298 9.773 ( -3.156 -1.822 -1.058) 3.795 11.646 ( -6.750 -3.897 -4.829) 9.169 12.253 ( 2.311 1.334 5.175) 5.822 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -7.509 -4.336 1.832) 8.862 2.246 ( -8.354 -4.823 -0.654) 9.669 2.507 ( -1.121 -0.647 -1.033) 1.656 3.006 ( 6.265 3.617 2.279) 7.584 3.854 ( -6.007 -3.468 -2.994) 7.555 4.333 ( -8.087 -4.669 0.961) 9.388 6.367 ( -1.397 -0.806 -0.343) 1.649 8.433 ( -2.295 -1.325 4.122) 4.900 9.627 ( -9.401 -5.428 -0.681) 10.877 9.835 ( 13.411 7.743 -5.562) 16.454 11.399 ( -13.204 -7.623 -4.967) 16.035 12.323 ( 2.134 1.232 5.870) 6.366 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -11.175 -6.452 1.632) 13.006 2.019 ( -11.732 -6.774 0.573) 13.560 2.467 ( -2.085 -1.204 -1.621) 2.902 3.166 ( 6.745 3.894 5.042) 9.278 3.670 ( -9.629 -5.559 -2.780) 11.461 4.093 ( -13.042 -7.530 -2.117) 15.208 6.341 ( -0.624 -0.360 -0.659) 0.976 8.404 ( -1.635 -0.944 5.765) 6.066 9.357 ( -14.235 -8.219 -0.028) 16.438 10.118 ( 12.092 6.981 -13.114) 19.155 11.068 ( -13.663 -7.888 0.938) 15.805 12.381 ( 1.491 0.861 5.753) 6.005 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -13.699 -7.909 1.536) 15.893 1.727 ( -14.473 -8.356 1.917) 16.822 2.405 ( -2.778 -1.604 -2.183) 3.880 3.296 ( -1.434 -0.828 8.023) 8.192 3.416 ( -10.372 -5.988 0.789) 12.003 3.764 ( -12.668 -7.314 -8.743) 17.042 6.344 ( 1.249 0.721 -0.689) 1.598 8.383 ( -2.487 -1.436 6.822) 7.402 9.003 ( -17.115 -9.882 0.890) 19.783 10.123 ( -8.561 -4.943 -25.192) 27.062 10.967 ( 5.376 3.104 11.275) 12.870 12.426 ( 0.940 0.543 5.517) 5.623 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -14.923 -8.616 1.914) 17.337 1.387 ( -16.426 -9.483 3.295) 19.251 2.333 ( -2.900 -1.674 -2.690) 4.295 2.955 ( -22.999 -13.279 -0.504) 26.562 3.200 ( -15.772 -9.106 6.713) 19.409 3.679 ( 6.225 3.594 -6.219) 9.505 6.397 ( 3.725 2.150 -0.798) 4.374 8.298 ( -8.017 -4.629 6.336) 11.218 8.609 ( -17.976 -10.378 1.958) 20.849 9.737 ( -15.177 -8.763 -22.564) 28.571 11.252 ( 14.370 8.297 8.270) 18.540 12.457 ( 0.339 0.196 5.050) 5.065 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -14.995 -8.658 3.060) 17.583 1.019 ( -17.155 -9.904 5.032) 20.438 2.263 ( -2.422 -1.398 -3.025) 4.119 2.343 ( -30.464 -17.589 -1.176) 35.197 2.849 ( -15.907 -9.184 2.730) 18.570 3.835 ( 7.459 4.306 -1.567) 8.754 6.506 ( 6.176 3.565 -1.265) 7.242 8.020 ( -17.946 -10.361 2.037) 20.822 8.220 ( -17.209 -9.936 2.954) 20.090 9.412 ( -7.523 -4.343 -15.886) 18.106 11.601 ( 14.317 8.266 5.373) 17.384 12.470 ( -0.482 -0.278 4.015) 4.053 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -14.373 -8.299 5.286) 17.418 0.663 ( -16.027 -9.253 8.417) 20.330 1.608 ( -34.256 -19.777 -0.251) 39.556 2.209 ( -1.514 -0.874 -3.037) 3.504 2.521 ( -13.424 -7.750 1.599) 15.583 3.982 ( 5.666 3.271 -0.298) 6.549 6.662 ( 8.089 4.670 -2.079) 9.569 7.558 ( -21.123 -12.195 -2.408) 24.509 7.862 ( -15.395 -8.888 3.609) 18.139 9.284 ( -1.379 -0.796 -11.125) 11.239 11.911 ( 11.825 6.827 3.263) 14.039 12.456 ( -1.716 -0.991 2.012) 2.824 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 0.000 12.643 15.324) 19.866 0.529 ( 0.000 13.941 16.228) 21.394 0.963 ( 0.000 31.591 21.514) 38.221 2.146 ( -0.000 0.006 -4.310) 4.310 2.270 ( -0.000 9.941 -1.679) 10.082 4.146 ( 0.000 -12.081 5.750) 13.379 6.819 ( -0.000 -9.776 -3.187) 10.282 7.110 ( -0.000 14.549 -3.985) 15.085 7.591 ( 0.000 14.511 3.539) 14.936 8.801 ( -0.000 37.973 -43.151) 57.480 12.160 ( 0.000 -9.816 1.199) 9.889 12.382 ( -0.000 4.075 -1.954) 4.520 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 1.600 12.089 17.499) 21.329 0.750 ( 3.274 16.888 9.772) 19.784 1.537 ( 20.443 28.653 14.424) 38.039 2.182 ( 4.661 0.660 -3.722) 6.001 2.406 ( 3.819 13.097 -2.781) 13.923 4.018 ( -3.870 -6.992 -0.191) 7.994 6.964 ( 9.961 -3.312 -0.528) 10.511 7.058 ( -2.024 8.539 -4.279) 9.763 7.841 ( 6.711 19.406 -0.411) 20.538 9.155 ( 18.494 11.346 -15.153) 26.465 11.958 ( -11.029 -9.447 -0.779) 14.543 12.396 ( -1.370 2.963 -3.097) 4.500 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 8.761 12.237 12.559) 19.602 1.020 ( 5.654 18.009 5.754) 19.733 2.203 ( 22.942 22.676 9.550) 33.641 2.270 ( 4.689 3.172 -1.311) 5.811 2.633 ( 9.143 12.722 -4.995) 16.444 3.889 ( -3.659 -5.705 -0.991) 6.850 6.820 ( -19.522 15.538 -0.090) 24.951 7.444 ( 33.703 -7.981 -4.614) 34.942 8.122 ( 6.284 15.329 -2.241) 16.718 9.541 ( 18.803 8.959 2.864) 21.024 11.632 ( -15.533 -9.255 -3.835) 18.484 12.381 ( -1.559 1.540 -4.225) 4.759 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 11.994 12.096 7.010) 18.420 1.319 ( 7.118 17.797 4.504) 19.690 2.363 ( 2.628 5.042 -0.402) 5.700 2.804 ( 20.911 17.249 5.554) 27.670 2.894 ( 10.143 9.017 -7.496) 15.504 3.800 ( -0.764 -3.579 2.662) 4.525 6.669 ( -16.533 16.154 0.473) 23.119 7.909 ( 27.219 -1.857 -6.757) 28.106 8.341 ( 10.085 4.920 -0.827) 11.251 9.991 ( 19.627 12.348 10.216) 25.339 11.244 ( -17.966 -8.982 -5.663) 20.869 12.351 ( -1.305 0.317 -4.809) 4.993 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 12.722 10.976 3.042) 17.075 1.623 ( 6.936 16.939 4.130) 18.765 2.450 ( 1.123 6.435 0.154) 6.534 3.045 ( 3.968 2.451 -12.065) 12.935 3.269 ( 16.050 10.800 4.057) 19.766 3.854 ( 6.940 1.564 7.441) 10.294 6.583 ( -13.142 16.884 1.233) 21.431 8.194 ( 7.677 3.323 -6.275) 10.457 8.637 ( 24.389 -2.330 -0.608) 24.508 10.484 ( 20.278 12.049 8.293) 25.003 10.831 ( -19.502 -6.913 -3.448) 20.977 12.315 ( -0.971 -0.852 -4.762) 4.934 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 11.857 9.238 0.916) 15.059 1.898 ( 5.438 15.309 3.475) 16.614 2.523 ( -0.355 6.936 0.275) 6.951 3.021 ( -1.272 -2.259 -10.668) 10.978 3.592 ( 11.715 6.153 2.705) 13.506 4.065 ( 10.644 3.441 6.883) 13.134 6.558 ( -10.569 17.591 1.858) 20.606 8.271 ( 2.450 1.168 -2.885) 3.962 9.040 ( 24.404 -1.636 -3.220) 24.670 10.414 ( -17.939 -5.463 -8.922) 20.767 10.969 ( 17.367 11.294 12.549) 24.221 12.273 ( -0.741 -1.984 -4.138) 4.649 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 2.567 13.633 3.597) 14.331 2.132 ( 10.210 6.491 -0.915) 12.133 2.572 ( -1.851 6.599 0.205) 6.857 2.929 ( -2.430 -3.104 -7.875) 8.807 3.807 ( 7.969 2.887 1.366) 8.585 4.275 ( 8.752 1.260 5.175) 10.246 6.571 ( -9.468 18.040 1.995) 20.471 8.313 ( 3.531 -1.071 -0.492) 3.722 9.363 ( 17.951 -4.354 -6.020) 19.427 10.077 ( -16.500 2.233 -4.594) 17.272 11.362 ( 14.575 6.842 7.660) 17.830 12.227 ( -0.505 -2.880 -2.714) 3.989 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -0.896 11.110 2.695) 11.468 2.324 ( 6.728 3.440 -1.094) 7.636 2.591 ( -3.015 5.823 0.132) 6.559 2.848 ( -1.390 -1.848 -5.257) 5.743 3.925 ( 4.129 0.179 -0.567) 4.171 4.408 ( 5.298 -1.605 4.497) 7.132 6.591 ( -9.894 18.132 1.586) 20.716 8.365 ( 5.120 -3.953 1.070) 6.556 9.488 ( 7.781 -8.744 -8.647) 14.552 9.919 ( -9.451 11.553 -0.144) 14.927 11.616 ( 8.226 1.302 1.968) 8.558 12.194 ( 0.764 -2.783 0.580) 2.944 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -5.295 7.968 2.298) 9.839 2.395 ( 0.275 -0.929 -1.760) 2.009 2.592 ( -3.553 6.027 0.178) 6.999 2.837 ( 2.598 0.714 -2.527) 3.694 3.948 ( 0.393 -2.141 -2.358) 3.209 4.448 ( 1.160 -4.186 4.176) 6.025 6.594 ( -11.153 17.922 0.893) 21.128 8.400 ( 4.487 -7.158 1.952) 8.671 9.504 ( 6.222 -2.985 -6.470) 9.460 9.899 ( -7.495 9.806 -0.366) 12.348 11.655 ( -1.071 -4.803 -3.853) 6.250 12.219 ( 3.495 -1.459 4.797) 6.112 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -9.914 4.625 1.989) 11.119 2.317 ( -5.485 -3.818 -1.444) 6.838 2.585 ( -4.694 6.483 -0.315) 8.010 2.929 ( 6.484 2.275 -0.079) 6.872 3.885 ( -3.167 -4.107 -3.222) 6.106 4.386 ( -3.855 -6.514 3.226) 8.228 6.571 ( -12.133 17.748 0.295) 21.501 8.393 ( 2.923 -7.686 2.867) 8.708 9.594 ( 6.228 -4.337 -2.663) 8.043 9.850 ( -5.991 10.705 -3.835) 12.853 11.489 ( -8.444 -8.486 -5.101) 13.013 12.290 ( 3.986 -1.105 5.848) 7.163 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -13.529 1.022 1.352) 13.635 2.145 ( -9.927 -3.854 0.216) 10.651 2.554 ( -5.921 5.820 -1.044) 8.368 3.083 ( 8.204 2.973 2.050) 8.963 3.744 ( -6.746 -5.782 -3.113) 9.415 4.206 ( -9.673 -8.657 1.213) 13.038 6.540 ( -12.028 18.148 0.024) 21.772 8.381 ( 2.491 -5.857 3.980) 7.506 9.456 ( -10.030 -12.492 0.370) 16.025 10.002 ( 8.672 13.530 -10.323) 19.100 11.205 ( -12.431 -9.550 -1.831) 15.782 12.358 ( 3.250 -1.110 5.499) 6.484 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -16.065 -2.414 1.146) 16.286 1.913 ( -14.163 -2.675 1.850) 14.532 2.494 ( -6.622 4.603 -1.740) 8.250 3.265 ( 7.843 3.039 5.302) 9.942 3.528 ( -10.281 -7.003 -2.677) 12.725 3.902 ( -14.988 -10.162 -2.364) 18.261 6.529 ( -10.748 19.445 0.007) 22.218 8.387 ( 1.888 -3.859 4.889) 6.509 9.090 ( -13.710 -20.204 0.021) 24.416 10.181 ( -1.088 10.688 -19.976) 22.681 10.963 ( -3.656 -5.831 7.925) 10.496 12.412 ( 2.467 -0.992 4.919) 5.591 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -17.796 -5.052 1.794) 18.586 1.633 ( -17.449 -1.398 3.007) 17.761 2.414 ( -6.584 3.407 -2.314) 7.766 3.191 ( -17.264 -9.047 1.295) 19.533 3.398 ( -9.818 -3.931 10.606) 14.977 3.584 ( -0.066 -2.860 -11.549) 11.898 6.563 ( -8.740 21.527 -0.061) 23.233 8.375 ( -3.155 -3.373 6.004) 7.575 8.630 ( -10.840 -28.007 -1.584) 30.073 9.983 ( -20.386 5.530 -19.720) 28.897 11.088 ( 13.803 2.106 8.767) 16.487 12.452 ( 1.665 -0.905 4.092) 4.510 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -18.392 -7.084 3.354) 19.993 1.324 ( -19.374 -0.114 3.870) 19.757 2.329 ( -5.815 2.481 -2.653) 6.856 2.708 ( -28.238 -10.894 1.121) 30.288 3.057 ( -17.578 -7.403 1.583) 19.139 3.719 ( 9.558 2.728 -2.098) 10.159 6.655 ( -6.582 24.046 -0.447) 24.934 8.038 ( -13.894 -30.730 1.091) 33.743 8.373 ( -5.120 -5.918 1.399) 7.949 9.623 ( -20.586 6.261 -12.928) 25.102 11.408 ( 16.976 3.341 4.815) 17.959 12.474 ( 0.695 -1.055 2.685) 2.967 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -17.501 -7.588 6.409) 20.123 1.007 ( -19.703 -0.084 4.455) 20.201 2.077 ( -35.109 -7.866 2.509) 36.067 2.256 ( -4.475 1.877 -2.583) 5.497 2.713 ( -16.189 -5.146 0.138) 16.988 3.887 ( 8.045 1.782 -0.778) 8.276 6.804 ( -4.659 26.345 -1.080) 26.775 7.501 ( -10.676 -34.300 -1.168) 35.942 8.171 ( -15.858 -0.874 0.843) 15.905 9.382 ( -11.426 6.184 -6.870) 14.697 11.723 ( 15.843 1.374 1.913) 16.017 12.468 ( -0.567 -1.563 0.330) 1.695 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.000 14.723 13.975) 20.299 0.895 ( 0.000 14.159 14.758) 20.451 1.731 ( 0.000 35.415 12.969) 37.715 2.128 ( -0.000 1.471 -5.624) 5.814 2.515 ( -0.000 15.702 -2.228) 15.859 3.970 ( -0.000 -8.645 -1.433) 8.763 6.623 ( -0.000 -8.295 -1.993) 8.531 7.474 ( -0.000 24.815 -6.098) 25.553 7.923 ( 0.000 17.226 2.708) 17.437 9.033 ( -0.000 9.986 -13.938) 17.145 11.944 ( 0.000 -12.778 0.591) 12.791 12.441 ( -0.000 3.440 -2.864) 4.477 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.041 15.049 15.221) 21.405 1.132 ( 4.614 16.478 8.754) 19.221 2.186 ( 6.069 3.523 -4.816) 8.511 2.207 ( 11.030 30.537 10.512) 34.127 2.679 ( 1.862 16.156 -3.702) 16.679 3.863 ( -1.754 -7.918 -1.969) 8.345 6.780 ( 25.703 -8.366 -1.510) 27.072 7.444 ( -23.608 26.184 -4.556) 35.549 8.174 ( 4.706 14.820 -0.436) 15.555 9.272 ( 19.998 7.489 -4.627) 21.849 11.740 ( -8.916 -12.414 0.059) 15.285 12.434 ( -2.964 2.819 -3.428) 5.337 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 4.916 14.639 10.467) 18.656 1.416 ( 6.030 18.509 6.301) 20.461 2.328 ( 7.118 4.699 -2.922) 9.015 2.724 ( 13.826 24.271 7.361) 28.887 2.858 ( 3.829 12.928 -6.728) 15.069 3.769 ( -0.446 -5.837 0.856) 5.917 7.158 ( 5.250 7.771 0.620) 9.399 7.353 ( 6.307 12.386 -6.666) 15.415 8.319 ( 1.212 6.580 -0.498) 6.709 9.741 ( 24.391 9.586 0.830) 26.220 11.430 ( -14.327 -9.945 0.070) 17.441 12.387 ( -3.524 1.595 -4.156) 5.678 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 8.230 12.912 5.020) 16.114 1.723 ( 5.916 19.493 5.857) 21.197 2.481 ( 4.525 7.419 -1.423) 8.806 2.981 ( 2.686 5.497 -12.055) 13.519 3.164 ( 12.333 15.734 5.501) 20.734 3.777 ( 4.866 -0.720 5.945) 7.716 7.098 ( -20.576 26.144 -0.571) 33.275 7.834 ( 33.962 -1.306 -6.721) 34.645 8.372 ( 2.572 -0.561 1.187) 2.887 10.230 ( 22.139 7.467 -0.906) 23.382 11.095 ( -16.353 -4.525 3.946) 17.421 12.325 ( -2.955 -0.110 -4.524) 5.405 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 9.640 10.602 1.640) 14.423 2.016 ( 4.164 19.084 5.259) 20.229 2.609 ( 1.023 9.801 -0.902) 9.895 2.975 ( -0.262 -1.678 -12.105) 12.224 3.482 ( 10.093 8.586 3.673) 13.751 3.941 ( 9.539 2.570 6.945) 12.076 7.032 ( -17.831 27.192 -0.176) 32.517 8.234 ( 7.254 4.341 -3.919) 9.318 8.518 ( 25.853 -8.172 -2.396) 27.220 10.489 ( 2.720 -3.967 -12.104) 13.025 10.955 ( -0.143 9.276 16.396) 18.839 12.259 ( -2.025 -2.067 -4.369) 5.241 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 9.378 7.913 -0.072) 12.271 2.259 ( 1.535 17.709 4.411) 18.315 2.694 ( -2.328 10.336 -1.313) 10.676 2.899 ( -1.009 -3.458 -9.033) 9.725 3.704 ( 8.162 3.779 2.251) 9.272 4.142 ( 9.427 0.441 5.465) 10.905 7.021 ( -15.343 27.656 0.027) 31.627 8.272 ( -0.225 -0.588 1.070) 1.242 8.910 ( 26.421 -6.563 -9.116) 28.709 10.327 ( -10.727 1.584 -5.393) 12.111 11.228 ( 11.738 7.348 11.008) 17.690 12.192 ( -0.894 -3.993 -3.439) 5.345 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 7.559 4.778 -0.884) 8.986 2.434 ( -1.703 15.836 3.469) 16.300 2.717 ( -3.587 6.126 -2.547) 7.542 2.842 ( -1.526 1.061 -4.994) 5.329 3.842 ( 5.418 0.284 0.094) 5.427 4.288 ( 7.483 -3.026 4.898) 9.442 7.044 ( -14.577 28.308 -0.173) 31.841 8.259 ( 1.662 -5.212 2.217) 5.903 9.173 ( 16.465 -7.038 -11.110) 21.073 10.205 ( -9.758 10.919 0.188) 14.645 11.482 ( 9.498 1.265 4.695) 10.671 12.138 ( 0.968 -5.139 -0.863) 5.300 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 3.244 0.759 -1.655) 3.721 2.523 ( -5.839 13.089 2.385) 14.529 2.711 ( -1.074 4.083 -1.211) 4.392 2.829 ( -2.519 5.391 -3.110) 6.714 3.892 ( 2.339 -2.592 -2.216) 4.135 4.364 ( 4.614 -5.722 5.079) 8.935 7.068 ( -15.769 28.992 -0.466) 33.007 8.244 ( 4.025 -9.047 2.235) 10.151 9.298 ( 10.376 -4.822 -8.797) 14.433 10.178 ( -9.880 14.186 1.469) 17.350 11.575 ( 3.074 -5.304 -2.072) 6.471 12.137 ( 4.229 -4.458 3.455) 7.050 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -2.570 -2.674 -2.077) 4.251 2.503 ( -10.124 9.614 1.497) 14.042 2.757 ( -2.853 9.289 1.422) 9.821 2.851 ( 2.254 3.059 -2.914) 4.789 3.861 ( -0.531 -4.877 -3.495) 6.023 4.359 ( 0.418 -7.489 4.805) 8.907 7.068 ( -17.630 29.149 -0.449) 34.069 8.238 ( 5.277 -9.454 1.923) 10.997 9.401 ( 9.323 -4.570 -5.045) 11.544 10.125 ( -12.220 12.988 -0.159) 17.834 11.484 ( -3.253 -9.383 -4.897) 11.072 12.202 ( 5.849 -3.571 5.236) 8.624 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -7.140 -3.906 -1.504) 8.276 2.388 ( -13.389 6.986 1.364) 15.164 2.759 ( -8.440 10.788 0.052) 13.697 2.967 ( 8.484 1.766 -0.338) 8.672 3.762 ( -3.491 -6.337 -3.424) 8.004 4.254 ( -5.167 -8.661 3.576) 10.701 7.045 ( -18.396 29.274 -0.040) 34.574 8.251 ( 5.281 -7.193 1.643) 9.073 9.418 ( 0.314 -12.804 -1.191) 12.863 10.078 ( -5.025 14.294 -4.825) 15.902 11.277 ( -8.098 -10.020 -3.147) 13.263 12.281 ( 5.394 -3.040 4.725) 7.788 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -11.446 -4.163 -0.636) 12.196 2.202 ( -16.103 5.046 1.748) 16.966 2.695 ( -9.797 8.479 -0.985) 12.994 3.148 ( 10.021 2.633 1.254) 10.437 3.600 ( -7.026 -6.834 -2.503) 10.116 4.034 ( -11.641 -9.201 1.678) 14.933 7.029 ( -17.662 30.296 0.479) 35.072 8.283 ( 5.005 -5.251 1.141) 7.343 9.119 ( -13.528 -22.477 0.283) 26.236 10.219 ( 4.629 15.215 -11.228) 19.468 11.024 ( -9.413 -9.202 3.070) 13.517 12.351 ( 4.443 -2.411 3.674) 6.249 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -15.541 -3.854 0.402) 16.017 1.958 ( -18.259 3.187 2.231) 18.668 2.594 ( -9.757 5.793 -1.474) 11.442 3.347 ( 3.743 1.042 6.100) 7.233 3.381 ( -4.928 -4.556 -5.303) 8.553 3.700 ( -17.628 -8.434 -0.269) 19.543 7.050 ( -15.896 31.869 0.711) 35.620 8.317 ( 4.687 -5.998 -0.662) 7.641 8.591 ( -18.065 -28.258 0.949) 33.552 10.301 ( -10.904 12.793 -16.255) 23.383 10.913 ( 6.564 -5.880 10.286) 13.545 12.406 ( 3.392 -1.859 2.336) 4.519 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -18.806 -3.007 1.835) 19.133 1.667 ( -19.432 0.997 2.405) 19.605 2.477 ( -8.659 3.319 -1.505) 9.395 3.054 ( -20.383 -4.870 1.993) 21.051 3.306 ( -19.038 -5.571 -2.822) 20.036 3.566 ( 10.285 2.419 1.451) 10.665 7.116 ( -13.315 31.487 0.427) 34.189 7.960 ( -16.061 -33.764 -2.907) 37.502 8.359 ( 0.932 -2.060 1.835) 2.912 10.047 ( -22.939 8.222 -7.469) 25.487 11.136 ( 17.558 -1.615 4.568) 18.214 12.441 ( 2.172 -1.622 0.503) 2.757 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -20.041 -1.081 4.045) 20.474 1.339 ( -19.831 -1.704 1.988) 20.003 2.365 ( -6.777 1.407 -1.046) 7.000 2.606 ( -29.751 0.075 3.756) 29.987 2.960 ( -17.149 -1.466 -3.120) 17.492 3.752 ( 9.127 1.103 0.668) 9.218 7.148 ( -9.001 0.022 0.317) 9.007 7.449 ( -14.840 -0.080 -3.046) 15.149 8.326 ( -4.619 -0.935 -0.175) 4.716 9.724 ( -21.243 6.625 0.710) 22.264 11.430 ( 18.039 -2.810 -0.050) 18.257 12.447 ( 0.703 -1.709 -1.926) 2.669 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.000 15.756 13.358) 20.657 1.258 ( 0.000 14.700 11.285) 18.532 2.139 ( -0.000 3.330 -5.654) 6.561 2.476 ( 0.000 33.566 9.351) 34.844 2.816 ( -0.000 16.380 -4.940) 17.109 3.790 ( -0.000 -8.322 -1.760) 8.506 6.481 ( -0.000 -5.483 -0.401) 5.498 7.944 ( -0.000 26.078 -6.908) 26.977 8.283 ( 0.000 18.381 1.213) 18.421 9.105 ( -0.000 4.243 -4.549) 6.221 11.682 ( 0.000 -14.074 0.892) 14.102 12.481 ( -0.000 2.609 -3.000) 3.976 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.850 15.082 11.678) 19.093 1.499 ( 5.993 15.795 8.541) 18.930 2.226 ( 7.238 4.372 -4.535) 9.596 2.858 ( 4.772 29.148 7.488) 30.470 2.944 ( -0.179 13.325 -8.271) 15.684 3.714 ( 0.182 -5.744 1.243) 5.880 6.646 ( 23.795 -4.816 -0.181) 24.278 7.952 ( -22.343 28.437 -6.200) 36.692 8.404 ( -3.181 8.784 0.478) 9.355 9.396 ( 24.499 7.350 -2.685) 25.719 11.499 ( -6.308 -12.234 1.774) 13.879 12.462 ( -3.689 2.169 -3.275) 5.389 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 2.362 13.686 6.961) 15.535 1.803 ( 7.944 16.728 7.189) 19.864 2.413 ( 9.609 5.839 -2.978) 11.632 2.997 ( -1.385 6.308 -12.833) 14.367 3.213 ( 5.299 20.675 5.734) 22.100 3.724 ( 3.143 0.817 6.025) 6.845 7.115 ( 34.742 -3.657 -0.748) 34.942 7.808 ( -23.642 28.370 -6.042) 37.420 8.406 ( -2.861 3.210 0.787) 4.371 9.889 ( 24.765 5.675 -3.375) 25.630 11.274 ( -9.411 -6.824 4.756) 12.560 12.390 ( -5.253 1.192 -3.802) 6.593 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 5.359 11.664 3.280) 13.248 2.116 ( 7.127 16.551 5.913) 18.965 2.625 ( 7.862 8.235 -2.016) 11.563 2.947 ( -2.511 -0.463 -13.202) 13.447 3.466 ( 4.746 11.456 4.379) 13.151 3.862 ( 6.038 5.428 6.856) 10.627 7.578 ( -2.619 17.019 1.462) 17.281 7.803 ( 19.551 6.909 -9.435) 22.782 8.381 ( -3.581 2.236 0.406) 4.241 10.257 ( 16.339 -0.595 -6.500) 17.594 11.130 ( -5.984 2.224 10.677) 12.440 12.291 ( -5.177 -0.613 -4.223) 6.709 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 6.781 9.041 1.030) 11.348 2.390 ( 4.736 15.498 4.517) 16.823 2.810 ( 2.523 11.628 -1.994) 12.064 2.847 ( -1.462 -3.864 -10.230) 11.033 3.640 ( 5.279 5.072 3.501) 8.115 4.032 ( 6.260 2.950 5.028) 8.554 7.557 ( -16.166 24.706 -1.400) 29.558 8.311 ( 28.205 -8.616 -8.870) 30.797 8.334 ( 0.175 7.602 0.403) 7.615 10.381 ( 3.217 -0.365 -5.433) 6.325 11.203 ( 3.908 6.174 12.535) 14.509 12.181 ( -4.049 -3.135 -4.244) 6.651 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 6.558 5.925 -0.271) 8.842 2.598 ( 1.787 13.289 2.106) 13.573 2.752 ( -1.902 -1.732 -6.113) 6.633 2.938 ( -1.301 11.837 -1.691) 12.028 3.764 ( 4.767 1.136 1.699) 5.186 4.152 ( 6.051 -2.251 4.070) 7.632 7.548 ( -12.614 24.719 -2.342) 27.850 8.242 ( -3.791 -3.759 -0.400) 5.354 8.756 ( 23.066 -0.390 -8.190) 24.480 10.408 ( -2.139 8.120 -0.551) 8.415 11.378 ( 6.544 1.870 8.348) 10.771 12.075 ( -1.547 -5.908 -3.053) 6.828 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 4.393 2.345 -1.188) 5.119 2.669 ( 1.060 -0.260 -5.050) 5.167 2.766 ( -3.182 12.077 2.978) 12.839 2.994 ( -4.670 11.812 -1.423) 12.781 3.823 ( 2.251 -1.709 -1.263) 3.095 4.224 ( 6.085 -6.398 4.709) 10.007 7.593 ( -11.455 27.111 -3.455) 29.634 8.137 ( -1.355 -8.014 0.734) 8.160 9.038 ( 13.597 0.244 -6.453) 15.052 10.462 ( -5.423 14.071 2.017) 15.214 11.466 ( 2.908 -4.578 1.240) 5.564 12.018 ( 3.421 -7.154 0.828) 7.973 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 0.012 -1.025 -1.860) 2.123 2.698 ( 3.007 1.322 -2.275) 3.996 2.795 ( -6.829 9.813 1.080) 12.004 3.021 ( -5.881 12.735 -0.105) 14.028 3.801 ( 0.066 -4.924 -3.524) 6.056 4.259 ( 4.221 -7.949 5.212) 10.400 7.643 ( -14.678 29.189 -3.872) 32.901 8.075 ( 3.867 -8.298 1.850) 9.340 9.196 ( 8.185 -1.778 -3.947) 9.259 10.472 ( -11.520 14.483 2.233) 18.640 11.402 ( -0.618 -9.932 -4.144) 10.780 12.057 ( 7.323 -6.109 3.922) 10.311 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -4.108 -2.270 -1.518) 4.933 2.677 ( -11.172 7.182 0.236) 13.283 2.840 ( 6.836 1.467 -1.374) 7.125 3.029 ( -8.803 13.217 0.849) 15.903 3.720 ( -0.993 -7.273 -3.720) 8.229 4.232 ( -0.264 -7.933 4.424) 9.087 7.636 ( -16.243 25.960 -1.908) 30.682 8.117 ( 4.855 -0.652 0.591) 4.934 9.244 ( 4.147 -9.867 -1.955) 10.880 10.375 ( -14.220 11.933 0.187) 18.564 11.260 ( -2.807 -10.001 -3.652) 11.011 12.147 ( 7.683 -4.656 3.633) 9.690 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -8.075 -2.219 -0.829) 8.415 2.517 ( -14.565 5.079 0.728) 15.442 2.946 ( -4.806 5.548 -2.685) 7.816 3.020 ( 2.913 6.035 1.537) 6.875 3.610 ( -2.767 -6.754 -2.046) 7.580 4.116 ( -6.362 -7.027 2.926) 9.921 7.614 ( -14.870 24.781 0.325) 28.902 8.193 ( 1.521 4.359 -1.597) 4.885 9.073 ( -6.665 -22.092 -0.611) 23.083 10.312 ( -4.057 11.585 -3.524) 12.771 11.090 ( -6.836 -7.646 0.521) 10.270 12.239 ( 6.627 -3.195 2.218) 7.684 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -12.154 -1.491 -0.180) 12.246 2.292 ( -16.949 2.415 1.427) 17.180 2.829 ( -11.800 4.756 -0.950) 12.758 3.187 ( 10.365 0.878 -3.226) 10.891 3.482 ( -6.556 -3.200 1.428) 7.434 3.903 ( -12.815 -4.604 2.057) 13.771 7.618 ( -13.707 23.877 1.468) 27.570 8.227 ( -1.588 3.310 -4.637) 5.915 8.625 ( -15.330 -26.142 1.108) 30.326 10.434 ( 4.577 12.434 -8.828) 15.921 10.888 ( -8.676 -7.923 7.773) 14.088 12.318 ( 5.200 -2.031 0.531) 5.607 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -15.963 -0.091 0.568) 15.973 2.002 ( -19.014 -0.703 1.822) 19.114 2.660 ( -10.701 0.762 -0.534) 10.742 3.267 ( -4.154 -2.310 -7.107) 8.550 3.384 ( -1.024 0.082 0.228) 1.052 3.646 ( -14.130 1.760 6.760) 15.762 7.545 ( -13.166 -2.352 0.583) 13.387 8.046 ( -18.735 5.409 -5.720) 20.322 8.331 ( -0.131 -3.795 2.354) 4.467 10.464 ( -16.768 10.922 -6.420) 21.016 10.838 ( 13.202 -7.952 7.848) 17.295 12.375 ( 3.617 -1.364 -1.386) 4.107 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -18.707 2.069 1.938) 18.921 1.656 ( -19.963 -3.268 1.385) 20.276 2.493 ( -8.395 -1.508 0.107) 8.530 3.058 ( -18.723 3.843 2.143) 19.233 3.216 ( -14.239 0.540 -9.439) 17.092 3.649 ( 4.146 3.110 7.431) 9.060 7.107 ( -12.682 -31.201 -0.492) 33.683 7.945 ( -17.210 32.020 -4.327) 36.608 8.349 ( 1.190 1.508 0.834) 2.094 10.179 ( -23.448 5.654 5.878) 24.826 11.075 ( 18.511 -5.693 -1.611) 19.434 12.403 ( 1.895 -1.134 -3.447) 4.093 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.000 13.484 7.951) 15.653 1.598 ( 0.000 15.622 12.157) 19.795 2.187 ( -0.000 4.753 -4.806) 6.760 3.029 ( -0.000 8.765 -12.065) 14.913 3.127 ( 0.000 27.395 6.095) 28.065 3.682 ( 0.000 -0.884 4.623) 4.707 6.407 ( 0.000 -2.305 1.266) 2.629 8.350 ( -0.000 18.728 -5.880) 19.629 8.645 ( -0.000 18.332 -0.397) 18.336 9.159 ( -0.000 3.796 -3.337) 5.054 11.435 ( 0.000 -11.511 2.331) 11.744 12.507 ( -0.000 1.864 -2.807) 3.369 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -1.707 12.819 7.196) 14.799 1.850 ( 6.493 14.649 8.732) 18.249 2.296 ( 8.121 5.237 -3.656) 10.332 3.025 ( -1.439 1.739 -15.156) 15.323 3.384 ( 0.789 19.070 4.952) 19.718 3.749 ( 1.230 8.710 7.684) 11.680 6.589 ( 21.827 -1.534 1.174) 21.913 8.436 ( -13.414 24.401 -8.419) 29.090 8.533 ( -14.197 4.702 2.237) 15.122 9.504 ( 25.237 5.215 -3.794) 26.048 11.319 ( -3.264 -7.365 4.003) 8.996 12.478 ( -4.117 1.516 -2.890) 5.254 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.946 11.343 4.217) 12.138 2.143 ( 8.557 13.524 6.677) 17.341 2.512 ( 11.495 5.926 -2.698) 13.211 2.940 ( -2.264 -2.284 -14.097) 14.459 3.549 ( 0.547 10.342 4.530) 11.304 3.910 ( 1.315 13.132 6.697) 14.800 7.059 ( 33.875 -1.734 -0.476) 33.923 8.237 ( -22.087 14.694 -2.448) 26.641 8.513 ( -4.789 11.767 -4.425) 13.453 9.923 ( 21.243 0.970 -3.460) 21.545 11.235 ( -3.002 -1.207 6.904) 7.625 12.387 ( -6.737 0.805 -3.261) 7.528 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 3.357 9.265 1.993) 10.054 2.423 ( 7.856 11.451 4.107) 14.482 2.746 ( 8.168 3.135 -3.792) 9.536 2.855 ( 0.701 1.721 -8.966) 9.157 3.646 ( 1.092 4.516 4.212) 6.271 4.055 ( -0.054 9.855 4.378) 10.784 7.622 ( 33.761 -3.676 -2.512) 34.053 8.039 ( -14.312 11.180 -3.117) 18.427 8.522 ( -7.011 14.232 -4.567) 16.509 10.214 ( 14.048 0.631 -2.119) 14.220 11.247 ( 0.651 2.327 9.223) 9.534 12.253 ( -7.843 -0.692 -3.741) 8.717 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 4.377 6.498 0.466) 7.849 2.619 ( 3.550 3.767 -4.437) 6.818 2.758 ( 1.880 2.631 0.274) 3.245 3.025 ( 5.303 11.544 -2.673) 12.982 3.711 ( 2.971 -0.183 3.749) 4.787 4.120 ( -1.232 3.738 2.455) 4.638 7.866 ( -4.765 5.165 1.191) 7.127 8.095 ( 15.061 -4.221 -12.544) 20.050 8.594 ( 1.277 18.070 0.074) 18.116 10.423 ( 7.874 6.284 -0.140) 10.075 11.335 ( 3.918 0.268 9.280) 10.076 12.091 ( -7.472 -3.289 -4.063) 9.119 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 3.892 3.377 -0.583) 5.186 2.611 ( 1.049 -2.515 -6.316) 6.878 2.903 ( 2.867 10.462 4.079) 11.589 3.161 ( -1.694 11.342 -2.521) 11.741 3.770 ( 3.595 -1.551 1.927) 4.363 4.113 ( 0.156 -3.401 2.207) 4.057 7.864 ( -1.784 7.662 -0.116) 7.868 8.113 ( -0.761 -4.176 -10.073) 10.930 8.887 ( 9.722 14.854 0.525) 17.760 10.609 ( 3.442 11.650 1.226) 12.210 11.406 ( 2.232 -3.491 6.245) 7.495 11.929 ( -3.406 -6.969 -2.927) 8.291 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 1.516 0.470 -1.270) 2.033 2.616 ( 3.706 -0.991 -3.415) 5.136 3.019 ( -4.309 10.974 1.773) 11.922 3.205 ( -2.450 9.339 -0.385) 9.663 3.774 ( -2.240 -1.491 -2.388) 3.598 4.106 ( 5.199 -8.293 4.196) 10.650 7.953 ( 4.150 1.084 1.939) 4.707 8.014 ( -5.626 7.515 -9.002) 13.006 9.126 ( 3.284 9.765 0.466) 10.313 10.752 ( -2.737 13.533 2.694) 14.068 11.337 ( -4.589 -7.955 -1.268) 9.271 11.872 ( 6.295 -8.338 1.336) 10.532 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -1.620 -0.779 -1.091) 2.103 2.693 ( 6.350 0.253 -1.931) 6.642 2.968 ( -10.809 6.896 -0.531) 12.833 3.279 ( -3.208 12.301 2.603) 12.976 3.663 ( -3.890 -6.594 -4.186) 8.725 4.135 ( 4.641 -7.198 3.902) 9.411 7.895 ( -2.736 -2.780 -1.097) 4.052 8.163 ( 3.112 18.030 -3.898) 18.707 9.172 ( -3.958 -0.168 0.796) 4.040 10.747 ( -14.577 11.331 3.231) 18.744 11.172 ( -0.762 -9.863 -4.048) 10.689 11.956 ( 9.915 -5.812 2.213) 11.704 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -4.860 -0.554 -0.478) 4.915 2.770 ( -5.740 2.234 0.196) 6.163 2.859 ( 0.950 1.632 -2.590) 3.205 3.282 ( -11.977 9.858 1.534) 15.588 3.551 ( 1.276 -6.704 -1.455) 6.978 4.124 ( -0.399 -4.740 2.125) 5.210 7.845 ( -1.690 0.498 0.280) 1.784 8.377 ( -0.254 22.037 -4.854) 22.566 8.985 ( -9.669 -15.419 0.760) 18.215 10.556 ( -14.740 5.431 0.434) 15.714 11.100 ( -1.022 -3.946 0.389) 4.095 12.081 ( 9.072 -3.056 0.696) 9.598 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -8.556 0.382 -0.026) 8.565 2.576 ( -14.831 -0.008 1.164) 14.876 2.969 ( 5.863 0.950 -3.558) 6.924 3.108 ( -9.939 -1.652 -1.631) 10.206 3.545 ( -1.364 1.912 3.084) 3.877 4.041 ( -6.317 -1.367 0.959) 6.534 7.826 ( -2.292 -1.269 0.502) 2.668 8.522 ( -8.499 25.478 -6.512) 27.636 8.584 ( -12.507 -24.144 1.139) 27.215 10.445 ( -1.874 2.199 -0.653) 2.963 11.021 ( -7.493 -0.075 4.376) 8.678 12.197 ( 7.143 -1.234 -1.095) 7.331 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -12.333 1.868 0.196) 12.476 2.295 ( -17.206 -3.233 1.697) 17.589 2.836 ( -11.725 -3.937 -0.152) 12.369 3.126 ( 8.458 -1.778 -8.106) 11.849 3.527 ( -6.341 4.420 4.532) 8.960 3.906 ( -10.857 3.657 2.565) 11.740 7.592 ( -13.589 -24.089 -1.304) 27.688 8.293 ( -0.734 -7.164 2.486) 7.618 8.553 ( -16.262 29.272 -6.538) 34.118 10.523 ( 10.518 -2.139 -1.736) 10.873 10.865 ( -14.670 2.684 7.480) 16.684 12.287 ( 5.080 -0.342 -2.796) 5.809 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -15.596 3.767 0.615) 16.056 1.951 ( -18.975 -4.963 1.578) 19.676 2.612 ( -9.254 -4.924 0.431) 10.492 3.188 ( 2.850 -0.416 -10.532) 10.919 3.432 ( -11.659 4.839 1.739) 12.742 3.797 ( -9.673 7.520 8.034) 14.651 7.038 ( -15.361 -30.805 -0.498) 34.426 8.299 ( 0.404 0.396 -2.562) 2.624 8.560 ( -14.359 31.269 -2.126) 34.474 10.623 ( -16.225 -2.644 16.863) 23.550 10.715 ( 12.086 0.858 -10.052) 15.743 12.342 ( 3.061 -0.144 -4.294) 5.276 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.000 10.901 5.004) 11.995 1.956 ( 0.000 13.877 9.917) 17.056 2.259 ( -0.000 5.148 -3.667) 6.320 2.980 ( -0.000 -3.111 -15.754) 16.058 3.548 ( 0.000 12.351 4.552) 13.163 3.897 ( 0.000 17.263 7.531) 18.834 6.403 ( 0.000 0.481 2.576) 2.621 8.585 ( -0.000 8.679 -3.214) 9.255 8.983 ( -0.000 16.847 -1.541) 16.917 9.196 ( -0.000 2.208 -5.823) 6.228 11.294 ( 0.000 -4.511 4.032) 6.050 12.520 ( -0.000 1.262 -2.474) 2.777 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -1.524 9.691 3.745) 10.501 2.163 ( 5.616 12.050 7.436) 15.232 2.377 ( 8.663 5.002 -2.851) 10.401 2.885 ( -0.739 -4.963 -13.924) 14.801 3.655 ( -0.589 7.952 4.228) 9.025 4.088 ( -0.998 17.798 5.806) 18.747 6.593 ( 19.714 0.755 1.970) 19.827 8.578 ( -9.281 1.247 1.625) 9.504 8.814 ( -16.047 17.128 -9.695) 25.394 9.556 ( 23.018 2.875 -1.988) 23.282 11.274 ( -1.004 -0.331 4.890) 5.003 12.486 ( -4.384 1.021 -2.468) 5.133 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 0.375 8.311 2.206) 8.607 2.401 ( 7.467 9.284 4.584) 12.765 2.601 ( 11.784 4.439 -2.548) 12.848 2.794 ( 0.979 -3.644 -10.088) 10.771 3.708 ( -1.549 4.287 3.674) 5.854 4.223 ( -3.415 13.956 3.836) 14.871 7.035 ( 30.314 -0.659 -0.456) 30.325 8.354 ( -15.616 1.167 2.183) 15.811 8.771 ( -7.011 15.221 -10.765) 19.918 9.938 ( 19.731 2.657 0.647) 19.920 11.285 ( -0.558 1.535 5.758) 5.986 12.382 ( -7.822 0.647 -2.668) 8.289 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 1.926 6.195 0.936) 6.555 2.574 ( 2.984 2.180 -4.459) 5.792 2.717 ( 5.316 1.271 1.193) 5.594 2.942 ( 13.527 6.889 -3.009) 15.476 3.710 ( -1.879 0.143 3.400) 3.887 4.262 ( -6.174 8.793 1.895) 10.910 7.519 ( 28.078 -4.163 -3.550) 28.607 8.145 ( -10.855 2.424 0.042) 11.123 8.794 ( -3.315 14.735 -6.339) 16.380 10.286 ( 15.866 6.573 1.730) 17.260 11.309 ( 0.727 -1.062 6.277) 6.408 12.222 ( -10.325 -0.219 -2.969) 10.746 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 2.456 3.626 -0.022) 4.379 2.559 ( 0.260 -1.956 -5.497) 5.840 2.894 ( 8.152 5.486 3.767) 10.523 3.213 ( 8.386 9.424 -3.382) 13.061 3.687 ( 1.219 -4.324 4.026) 6.033 4.201 ( -8.388 3.440 0.339) 9.073 7.802 ( 12.118 -5.792 -2.754) 13.710 8.052 ( -2.196 2.011 -4.393) 5.307 8.946 ( 4.831 16.250 -1.034) 16.985 10.604 ( 10.663 11.246 1.151) 15.540 11.323 ( 3.044 -6.394 6.406) 9.548 12.014 ( -11.837 -2.005 -3.230) 12.432 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 1.826 1.334 -0.574) 2.333 2.548 ( 1.975 -0.800 -2.829) 3.542 3.092 ( 7.066 6.160 3.087) 9.870 3.323 ( -3.899 7.018 -3.668) 8.826 3.738 ( 7.752 -3.022 3.091) 8.876 4.060 ( -8.310 -2.365 0.013) 8.640 7.876 ( 4.030 -3.296 0.443) 5.225 8.050 ( 1.633 2.455 -6.414) 7.059 9.201 ( 5.322 13.676 0.816) 14.698 10.847 ( 4.157 11.408 0.521) 12.153 11.327 ( 2.583 -7.819 4.509) 9.388 11.788 ( -8.069 -5.061 -2.471) 9.840 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 0.129 0.267 -0.443) 0.533 2.595 ( 4.523 0.354 -1.387) 4.744 3.200 ( -8.581 6.396 -0.291) 10.707 3.310 ( 6.117 0.782 1.047) 6.255 3.773 ( -9.746 3.411 -2.285) 10.576 3.966 ( 6.933 -7.726 2.686) 10.722 7.877 ( -0.028 -2.473 -0.043) 2.473 8.157 ( 7.864 6.000 -3.676) 10.552 9.318 ( -4.654 6.170 1.037) 7.797 10.979 ( 2.038 6.241 2.009) 6.865 11.190 ( -13.315 -4.301 -1.196) 14.043 11.734 ( 8.474 -5.152 0.317) 9.922 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -2.089 0.537 0.109) 2.160 2.692 ( 6.489 0.731 -1.347) 6.668 3.040 ( -11.929 0.406 -0.460) 11.945 3.434 ( 5.192 -4.800 -0.233) 7.075 3.576 ( -12.792 5.950 1.402) 14.178 4.049 ( 5.596 -2.253 0.206) 6.036 7.856 ( -0.717 0.134 0.254) 0.772 8.364 ( 10.519 3.137 -3.163) 11.423 9.164 ( -15.051 -1.625 0.402) 15.144 10.867 ( -17.954 -3.341 -1.242) 18.305 11.075 ( 2.340 4.066 3.399) 5.794 11.885 ( 11.164 -1.176 -0.787) 11.253 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -4.979 1.501 0.499) 5.224 2.779 ( -4.794 -1.696 0.997) 5.182 2.850 ( -0.569 -0.910 -3.209) 3.384 3.246 ( -10.397 -9.957 -2.027) 14.538 3.615 ( -0.332 8.633 4.909) 9.937 4.092 ( 0.171 1.518 -1.157) 1.917 7.844 ( -2.409 -0.658 0.237) 2.509 8.409 ( 0.323 -19.576 -1.800) 19.661 8.945 ( -10.982 15.071 -3.149) 18.912 10.559 ( -12.464 -5.244 0.794) 13.546 11.145 ( -2.125 6.187 5.052) 8.265 12.051 ( 9.017 0.750 -2.454) 9.375 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -8.423 2.880 0.493) 8.915 2.526 ( -14.876 -5.827 1.656) 16.062 2.947 ( 4.749 -4.114 -5.965) 8.664 2.967 ( -7.471 -5.695 -0.154) 9.396 3.678 ( -3.344 6.832 4.358) 8.766 4.085 ( -4.565 5.450 -0.084) 7.109 7.598 ( -15.517 -23.461 -1.288) 28.158 8.222 ( 1.656 -7.115 1.401) 7.439 9.008 ( -7.670 24.135 -7.219) 26.334 10.378 ( -0.980 -8.998 2.930) 9.514 11.142 ( -8.720 8.157 6.189) 13.449 12.183 ( 6.523 1.270 -3.765) 7.638 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -11.841 4.512 0.244) 12.674 2.201 ( -16.692 -6.698 1.647) 18.061 2.705 ( -8.917 -8.087 0.016) 12.038 3.058 ( 6.829 -0.632 -7.483) 10.150 3.659 ( -7.615 6.242 2.911) 10.267 4.051 ( -7.880 8.247 3.511) 11.934 7.022 ( -17.370 -29.173 -0.220) 33.953 8.267 ( 3.129 1.880 -0.417) 3.674 9.055 ( -11.829 24.463 -6.107) 27.850 10.364 ( 9.911 -12.715 2.732) 16.351 11.048 ( -14.967 9.896 6.507) 19.086 12.271 ( 4.212 0.998 -4.677) 6.373 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.000 7.659 2.418) 8.032 2.248 ( 0.000 10.581 6.918) 12.642 2.335 ( -0.000 4.506 -2.667) 5.236 2.797 ( -0.000 -5.530 -12.087) 13.292 3.742 ( 0.000 6.109 3.612) 7.097 4.288 ( 0.000 17.000 4.513) 17.589 6.448 ( 0.000 2.023 2.937) 3.567 8.676 ( -0.000 3.192 -2.322) 3.947 9.159 ( -0.000 -2.274 -5.110) 5.593 9.273 ( -0.000 13.772 -1.749) 13.883 11.305 ( 0.000 2.300 4.224) 4.809 12.526 ( -0.000 0.813 -2.181) 2.327 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -0.925 6.357 1.416) 6.578 2.398 ( 4.313 7.715 5.245) 10.278 2.451 ( 8.996 4.319 -2.668) 10.329 2.712 ( 0.103 -4.712 -8.919) 10.087 3.788 ( -1.611 3.870 2.881) 5.086 4.427 ( -2.865 13.533 3.019) 14.159 6.630 ( 17.544 1.541 1.807) 17.704 8.597 ( -11.196 0.186 0.685) 11.219 8.974 ( -8.760 5.635 -8.614) 13.516 9.633 ( 20.201 5.555 0.942) 20.972 11.338 ( -1.122 3.274 4.015) 5.301 12.489 ( -4.455 0.712 -2.134) 4.991 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.207 4.938 0.786) 5.004 2.543 ( 2.910 3.287 -1.154) 4.539 2.625 ( 6.243 0.203 -0.663) 6.282 2.741 ( 12.611 2.366 -2.654) 13.103 3.778 ( -3.534 1.235 2.228) 4.357 4.467 ( -6.313 9.113 1.457) 11.181 7.024 ( 26.215 -0.235 -0.378) 26.219 8.371 ( -14.018 -0.184 1.333) 14.083 8.923 ( -2.421 6.888 -7.526) 10.486 10.038 ( 20.741 5.677 2.231) 21.620 11.343 ( -2.610 1.090 3.851) 4.778 12.380 ( -8.345 0.658 -2.132) 8.638 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.989 2.985 0.315) 3.160 2.536 ( -0.788 -0.627 -3.282) 3.433 2.786 ( 9.527 2.160 2.494) 10.083 3.038 ( 17.063 4.277 -1.874) 17.690 3.710 ( -4.919 -1.464 2.129) 5.556 4.403 ( -9.517 4.822 0.049) 10.669 7.440 ( 23.045 -1.996 -1.470) 23.178 8.169 ( -9.699 0.382 -0.047) 9.706 8.983 ( 3.517 7.827 -3.332) 9.205 10.449 ( 19.476 7.547 1.567) 20.946 11.289 ( -3.710 -3.688 3.677) 6.395 12.209 ( -11.828 0.374 -2.071) 12.013 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 1.339 1.195 0.043) 1.795 2.522 ( 0.200 0.361 -0.866) 0.960 2.977 ( 10.217 1.082 1.719) 10.417 3.346 ( 12.692 6.490 -3.784) 14.749 3.611 ( -2.764 -5.405 3.766) 7.144 4.249 ( -11.980 1.473 -0.829) 12.099 7.721 ( 12.367 -1.132 0.433) 12.426 8.061 ( -3.280 0.866 -1.576) 3.741 9.166 ( 9.434 6.362 -0.674) 11.398 10.833 ( 14.602 10.358 -0.517) 17.910 11.181 ( -1.460 -10.234 3.548) 10.929 11.980 ( -14.647 0.062 -1.655) 14.741 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 1.178 0.314 0.096) 1.223 2.548 ( 1.884 1.436 0.564) 2.435 3.152 ( 9.881 -1.752 0.716) 10.061 3.403 ( -8.914 3.209 -1.573) 9.604 3.692 ( 14.597 -3.093 1.185) 14.968 4.037 ( -13.347 0.376 -0.722) 13.372 7.845 ( 3.110 0.097 0.909) 3.242 8.083 ( 4.181 3.071 0.217) 5.192 9.344 ( 5.715 -0.361 -0.185) 5.730 11.008 ( -3.056 1.526 0.058) 3.416 11.187 ( 11.536 -4.548 -0.388) 12.406 11.740 ( -11.914 1.573 -0.030) 12.017 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 0.293 0.568 0.457) 0.785 2.614 ( 3.724 1.813 0.545) 4.178 3.184 ( -4.867 -7.157 -1.187) 8.736 3.319 ( 1.030 -0.751 1.156) 1.721 3.807 ( -6.810 -2.479 1.320) 7.367 3.921 ( 5.949 5.565 -1.920) 8.369 7.876 ( 0.387 2.029 -0.090) 2.068 8.216 ( 6.512 0.426 2.248) 6.902 9.302 ( -5.024 -7.620 -0.602) 9.147 10.943 ( -2.358 -8.098 -1.510) 8.569 11.214 ( -5.587 4.527 1.060) 7.268 11.728 ( 6.026 4.776 -0.256) 7.693 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -1.543 1.577 0.842) 2.362 2.705 ( 5.136 1.275 -0.586) 5.325 2.969 ( -10.419 -7.496 -0.109) 12.836 3.250 ( -4.109 -10.725 -0.970) 11.526 3.741 ( -2.811 6.152 4.012) 7.864 4.069 ( 5.016 5.119 -2.829) 7.705 7.906 ( -1.999 4.283 0.508) 4.753 8.209 ( -0.141 -18.075 0.244) 18.078 9.151 ( -4.296 2.244 -1.360) 5.034 10.703 ( -11.995 -11.009 -1.157) 16.322 11.255 ( -0.226 9.439 4.598) 10.502 11.910 ( 8.847 4.469 -2.529) 10.229 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -4.346 2.921 0.905) 5.314 2.688 ( -11.783 -8.549 1.492) 14.634 2.810 ( 5.313 -0.798 -3.798) 6.579 3.024 ( -7.870 -11.010 -0.276) 13.537 3.795 ( -1.164 6.428 3.653) 7.484 4.170 ( 0.991 6.896 -1.721) 7.176 7.648 ( -18.164 -24.910 -0.483) 30.833 8.116 ( 5.563 -1.387 0.460) 5.751 9.220 ( 1.296 13.775 -4.471) 14.541 10.393 ( -10.383 -12.070 2.120) 16.062 11.349 ( -2.949 10.155 5.588) 11.960 12.075 ( 7.189 3.409 -3.831) 8.830 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -7.683 4.358 0.472) 8.846 2.388 ( -13.664 -8.631 1.355) 16.218 2.748 ( -6.398 -9.659 -1.074) 11.635 2.930 ( 4.894 -0.584 -3.882) 6.273 3.822 ( -3.844 5.721 2.384) 7.293 4.227 ( -2.743 7.936 1.049) 8.462 7.045 ( -18.445 -28.719 -0.027) 34.132 8.237 ( 4.418 5.125 0.182) 6.769 9.353 ( -1.874 16.155 -7.495) 17.907 10.167 ( -1.612 -14.059 3.910) 14.682 11.369 ( -8.817 10.247 6.414) 14.962 12.193 ( 5.097 2.134 -4.449) 7.094 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 0.000 4.301 0.505) 4.330 2.396 ( -0.000 3.069 -1.703) 3.510 2.446 ( 0.000 6.342 3.517) 7.252 2.649 ( -0.000 -3.459 -6.173) 7.076 3.844 ( 0.000 2.753 2.200) 3.524 4.580 ( 0.000 10.709 1.874) 10.871 6.504 ( 0.000 1.838 1.984) 2.704 8.703 ( -0.000 1.768 -3.281) 3.727 9.071 ( -0.000 -4.149 -0.732) 4.213 9.489 ( -0.000 9.187 -0.924) 9.233 11.398 ( 0.000 3.936 3.220) 5.086 12.526 ( -0.000 0.560 -1.974) 2.051 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -0.291 3.097 0.363) 3.132 2.489 ( 7.448 1.833 -0.528) 7.689 2.542 ( 3.775 3.994 0.279) 5.503 2.613 ( 1.817 -1.688 -2.266) 3.360 3.849 ( -2.471 1.160 1.499) 3.115 4.638 ( -3.868 6.819 0.599) 7.862 6.664 ( 16.017 0.904 0.775) 16.061 8.599 ( -11.893 0.142 -0.871) 11.925 8.987 ( -3.084 0.750 -2.450) 4.010 9.749 ( 18.326 4.676 1.133) 18.947 11.419 ( -2.516 2.320 2.691) 4.353 12.489 ( -4.359 0.598 -1.871) 4.781 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 0.129 1.632 0.542) 1.724 2.552 ( -1.496 0.819 -0.494) 1.776 2.645 ( 8.978 0.263 0.422) 8.992 2.780 ( 15.031 1.658 -0.551) 15.132 3.794 ( -4.801 -0.281 0.959) 4.904 4.588 ( -7.544 2.894 -0.593) 8.102 7.022 ( 24.175 0.061 0.222) 24.177 8.368 ( -13.536 -0.384 -0.242) 13.544 8.986 ( 1.009 3.186 -1.105) 3.520 10.137 ( 22.331 2.394 1.196) 22.491 11.368 ( -5.575 -0.468 2.129) 5.986 12.381 ( -8.419 0.670 -1.688) 8.613 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.650 -0.031 0.509) 0.827 2.543 ( -1.147 1.921 1.893) 2.931 2.803 ( 10.210 -1.284 -0.067) 10.291 3.080 ( 18.529 0.851 -0.809) 18.566 3.693 ( -6.651 -1.042 0.687) 6.767 4.445 ( -10.325 -0.175 -1.386) 10.419 7.433 ( 22.284 1.041 2.173) 22.414 8.167 ( -9.170 -0.064 -0.927) 9.217 9.067 ( 5.374 1.806 0.773) 5.722 10.532 ( 22.674 -0.768 -0.193) 22.687 11.243 ( -7.966 -1.715 1.209) 8.238 12.210 ( -12.080 0.797 -1.214) 12.167 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 1.463 -1.088 0.362) 1.859 2.564 ( -0.325 3.157 3.514) 4.735 2.954 ( 10.235 -3.729 -0.707) 10.915 3.388 ( 17.726 -2.431 -0.074) 17.892 3.562 ( -7.841 0.806 -0.652) 7.909 4.244 ( -11.511 -1.330 -1.339) 11.664 7.759 ( 11.091 2.958 4.170) 12.213 8.081 ( -0.634 1.966 0.685) 2.176 9.176 ( 7.885 -5.312 0.403) 9.515 10.833 ( 16.775 -11.237 -0.602) 20.200 11.128 ( -4.256 5.668 -1.917) 7.343 11.997 ( -13.925 2.152 0.196) 14.091 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 2.174 -1.140 0.297) 2.472 2.612 ( 0.540 3.772 3.748) 5.345 3.046 ( 6.866 -8.075 -1.583) 10.716 3.387 ( -5.923 -6.573 3.088) 9.371 3.668 ( 11.497 2.537 -4.288) 12.530 4.058 ( -8.736 1.679 -0.251) 8.899 7.868 ( 1.817 1.261 -0.445) 2.256 8.188 ( 3.217 5.019 8.007) 9.983 9.184 ( 4.432 -14.410 -0.914) 15.104 10.841 ( 3.149 -13.385 0.082) 13.751 11.227 ( 5.069 5.894 -6.073) 9.865 11.836 ( -8.615 6.555 2.533) 11.118 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 2.062 -0.290 0.363) 2.114 2.674 ( 1.382 3.376 2.629) 4.496 2.981 ( -2.258 -12.116 -1.658) 12.436 3.228 ( -5.190 -9.212 1.518) 10.682 3.792 ( 2.792 1.375 -0.941) 3.251 4.050 ( 2.547 7.210 -1.207) 7.742 7.922 ( 4.222 0.710 -1.280) 4.468 8.158 ( -10.218 -9.624 5.698) 15.149 9.129 ( 4.650 -5.765 0.805) 7.450 10.709 ( -3.873 -13.986 -1.627) 14.603 11.325 ( 3.009 6.483 -2.511) 7.575 11.872 ( 1.856 8.391 1.280) 8.689 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 0.497 1.169 0.504) 1.367 2.732 ( 1.126 0.628 1.250) 1.796 2.765 ( -6.855 -11.721 -1.350) 13.646 3.030 ( -6.235 -11.320 0.313) 12.927 3.852 ( 1.541 3.862 1.244) 4.340 4.187 ( 4.267 7.461 -1.638) 8.749 7.687 ( -17.253 -30.735 0.830) 35.256 8.053 ( 4.169 7.698 -0.428) 8.764 9.248 ( 5.995 7.169 1.118) 9.412 10.442 ( -9.413 -14.809 -0.674) 17.560 11.455 ( 3.113 8.341 1.132) 8.975 12.007 ( 4.655 6.141 -1.069) 7.780 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -2.573 2.829 0.440) 3.850 2.494 ( -9.749 -11.190 0.573) 14.852 2.731 ( -2.485 -6.684 -1.229) 7.236 2.870 ( -0.535 -3.200 -0.795) 3.341 3.910 ( -0.138 4.059 0.956) 4.172 4.308 ( 1.762 7.031 0.121) 7.250 7.072 ( -18.106 -29.625 0.011) 34.720 8.220 ( 5.400 8.453 0.177) 10.032 9.419 ( 4.407 9.305 -3.303) 10.813 10.143 ( -8.563 -14.128 1.803) 16.618 11.565 ( -1.155 8.353 3.091) 8.981 12.126 ( 4.300 3.577 -2.299) 6.047 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.000 1.489 0.536) 1.583 2.430 ( -0.000 1.318 -1.351) 1.887 2.536 ( 0.000 1.559 0.760) 1.734 2.594 ( -0.000 -0.081 -0.364) 0.373 3.882 ( 0.000 0.310 0.888) 0.940 4.722 ( -0.000 3.315 -0.486) 3.351 6.532 ( 0.000 0.271 0.033) 0.273 8.714 ( -0.000 1.504 -3.633) 3.932 9.015 ( 0.000 -1.914 3.724) 4.187 9.612 ( 0.000 3.436 0.541) 3.479 11.468 ( 0.000 1.086 1.973) 2.252 12.525 ( -0.000 0.566 -1.761) 1.850 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -0.142 -0.014 0.942) 0.952 2.500 ( 7.130 -0.104 -1.468) 7.280 2.594 ( -1.227 1.993 2.137) 3.169 2.597 ( 7.081 -0.593 -0.001) 7.106 3.858 ( -2.784 -0.700 0.285) 2.885 4.697 ( -4.141 -0.477 -1.553) 4.449 6.669 ( 15.974 -0.487 -0.612) 15.993 8.592 ( -12.523 -0.030 -2.066) 12.692 9.013 ( -0.564 2.002 4.060) 4.562 9.801 ( 17.408 -0.331 1.082) 17.445 11.445 ( -3.287 -1.169 1.253) 3.707 12.490 ( -4.267 0.632 -1.605) 4.602 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.060 -2.020 0.762) 2.160 2.600 ( -0.069 1.479 4.052) 4.314 2.621 ( 7.437 -0.942 -1.539) 7.653 2.788 ( 15.268 -0.520 0.219) 15.278 3.782 ( -4.865 -1.215 -0.245) 5.020 4.571 ( -7.346 -3.658 -2.345) 8.534 7.028 ( 25.617 0.145 0.797) 25.630 8.354 ( -13.298 -0.355 -1.653) 13.405 9.049 ( 0.172 1.867 5.561) 5.869 10.124 ( 21.855 -3.965 -0.175) 22.212 11.350 ( -5.848 -2.186 0.192) 6.246 12.385 ( -8.267 0.676 -1.249) 8.389 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 1.138 -3.506 0.430) 3.711 2.632 ( -1.002 3.990 6.663) 7.830 2.737 ( 9.622 -4.230 -2.600) 10.828 3.061 ( 17.609 -2.684 0.456) 17.818 3.678 ( -5.880 -0.565 -1.219) 6.032 4.379 ( -8.849 -5.304 -2.487) 10.612 7.496 ( 25.580 3.012 4.267) 26.108 8.160 ( -8.040 -0.009 -0.994) 8.101 9.063 ( -0.008 -4.468 5.206) 6.861 10.420 ( 19.688 -8.612 -1.556) 21.546 11.236 ( -5.095 0.262 -1.969) 5.468 12.226 ( -11.092 1.293 -0.229) 11.170 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 2.797 -3.947 0.217) 4.843 2.682 ( -1.084 5.122 7.232) 8.928 2.831 ( 8.530 -7.512 -2.786) 11.703 3.267 ( 10.238 -9.514 2.380) 14.177 3.607 ( -0.776 3.844 -4.268) 5.796 4.182 ( -7.364 -4.016 -1.644) 8.548 7.842 ( 5.542 2.609 1.161) 6.234 8.171 ( 8.900 4.845 8.148) 13.003 8.967 ( -0.227 -16.411 1.215) 16.458 10.582 ( 11.498 -11.490 -1.201) 16.299 11.205 ( 0.992 3.138 -6.089) 6.921 12.063 ( -10.400 3.771 1.919) 11.228 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 4.278 -3.454 0.023) 5.498 2.734 ( -1.348 5.306 6.348) 8.382 2.835 ( 3.684 -11.965 -2.810) 12.831 3.207 ( -2.564 -12.568 2.331) 13.037 3.708 ( 6.842 3.291 -4.590) 8.872 4.086 ( -0.845 1.287 -0.574) 1.643 7.854 ( -0.004 -3.957 -0.753) 4.028 8.305 ( -8.950 -2.437 9.136) 13.019 8.895 ( 14.103 -9.624 1.661) 17.154 10.582 ( 2.250 -11.734 -1.531) 12.045 11.269 ( 5.737 2.359 -7.805) 9.970 11.994 ( -4.780 7.162 3.594) 9.330 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 4.815 -2.317 -0.212) 5.347 2.705 ( -2.079 -14.947 -1.953) 15.217 2.771 ( -1.955 3.940 4.352) 6.187 3.018 ( -5.156 -11.877 0.904) 12.979 3.821 ( 5.107 1.807 -1.934) 5.752 4.166 ( 5.238 5.091 -0.900) 7.360 7.639 ( -11.958 -28.244 1.517) 30.709 8.122 ( -3.902 4.872 -0.741) 6.286 9.168 ( 13.132 5.949 6.639) 15.872 10.416 ( -5.757 -13.966 -2.699) 15.346 11.400 ( 8.777 3.075 -5.287) 10.697 12.043 ( -0.112 7.472 3.065) 8.077 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 0.000 -1.703 1.186) 2.076 2.426 ( -0.000 -0.953 -2.046) 2.257 2.519 ( -0.000 -2.991 -0.706) 3.073 2.642 ( 0.000 3.823 4.605) 5.985 3.870 ( -0.000 -1.773 -0.375) 1.812 4.702 ( -0.000 -4.344 -2.541) 5.033 6.513 ( -0.000 -1.586 -1.980) 2.537 8.709 ( -0.000 0.172 -3.664) 3.668 9.062 ( 0.000 3.098 8.103) 8.674 9.626 ( 0.000 -2.889 1.923) 3.470 11.454 ( 0.000 -3.368 0.426) 3.395 12.527 ( -0.000 0.677 -1.534) 1.676 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -0.522 -4.041 0.673) 4.130 2.451 ( 5.622 -3.956 -4.002) 7.955 2.552 ( 8.135 -3.250 1.038) 8.821 2.702 ( -0.366 5.983 6.690) 8.982 3.824 ( -2.417 -2.696 -1.013) 3.760 4.600 ( -3.714 -7.835 -3.354) 9.297 6.640 ( 17.432 -1.675 -1.779) 17.602 8.572 ( -12.475 -0.276 -3.190) 12.880 9.115 ( -1.619 3.255 10.549) 11.158 9.748 ( 16.469 -5.437 0.914) 17.368 11.388 ( -2.724 -4.732 -0.691) 5.504 12.493 ( -4.247 0.650 -1.352) 4.504 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 0.350 -6.143 0.141) 6.154 2.505 ( 8.564 -6.752 -3.826) 11.557 2.693 ( 7.278 -0.446 4.385) 8.508 2.809 ( 6.132 4.112 5.035) 8.937 3.737 ( -3.759 -3.001 -1.840) 5.150 4.418 ( -5.756 -10.048 -3.728) 12.165 7.034 ( 29.491 0.042 0.593) 29.497 8.336 ( -12.962 -0.198 -2.262) 13.159 9.102 ( -4.862 -3.404 11.265) 12.733 10.011 ( 19.763 -5.799 -0.662) 20.606 11.283 ( -3.506 -3.943 -2.554) 5.862 12.393 ( -7.799 0.762 -0.709) 7.868 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 2.470 -7.133 0.006) 7.548 2.577 ( 9.596 -8.826 -2.761) 13.327 2.791 ( 0.323 4.880 7.372) 8.847 2.993 ( 11.958 -4.250 2.402) 12.916 3.644 ( -2.781 -1.744 -3.432) 4.749 4.212 ( -5.069 -9.806 -3.355) 11.537 7.583 ( 30.168 3.171 2.798) 30.463 8.154 ( -5.965 -0.726 1.001) 6.092 8.927 ( -9.303 -14.490 7.676) 18.853 10.266 ( 15.867 -4.377 -0.228) 16.462 11.195 ( -1.412 -2.482 -5.848) 6.508 12.258 ( -9.017 1.850 0.891) 9.248 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 4.956 -6.966 -0.013) 8.549 2.614 ( 7.057 -12.129 -2.594) 14.271 2.854 ( -2.104 6.431 7.799) 10.325 3.070 ( 4.488 -11.792 2.220) 12.811 3.628 ( 3.496 0.791 -4.986) 6.140 4.073 ( -0.323 -5.675 -2.352) 6.151 7.843 ( -2.149 -3.760 -1.204) 4.494 8.338 ( 18.867 4.212 12.659) 23.107 8.593 ( -5.096 -19.940 -0.152) 20.581 10.430 ( 6.676 -2.968 0.682) 7.338 11.157 ( 3.361 -3.286 -9.364) 10.477 12.158 ( -6.479 4.242 3.020) 8.312 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 6.908 -5.920 -0.146) 9.099 2.546 ( 2.093 -15.759 -2.595) 16.108 2.886 ( -4.419 3.977 7.217) 9.350 2.963 ( -1.251 -11.413 0.849) 11.512 3.715 ( 7.001 -0.132 -3.700) 7.920 4.093 ( 6.160 -0.086 -1.803) 6.419 7.585 ( -12.390 -25.167 1.606) 28.098 8.233 ( -6.924 -1.376 -1.102) 7.145 8.930 ( 25.036 4.832 9.378) 27.168 10.399 ( -5.557 -5.330 -1.634) 7.871 11.211 ( 10.435 -3.217 -8.588) 13.892 12.146 ( -2.510 5.914 4.118) 7.631 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 -5.837 0.245) 5.842 2.334 ( -0.000 -6.791 -6.182) 9.183 2.446 ( 0.000 -3.753 1.630) 4.092 2.797 ( 0.000 7.464 9.015) 11.704 3.805 ( -0.000 -4.385 -1.812) 4.745 4.523 ( -0.000 -11.878 -4.172) 12.590 6.454 ( -0.000 -2.502 -3.099) 3.983 8.678 ( -0.000 -0.601 -4.544) 4.584 9.221 ( 0.000 5.594 13.557) 14.666 9.523 ( 0.000 -9.031 2.545) 9.383 11.351 ( -0.000 -6.241 -1.834) 6.505 12.532 ( -0.000 0.636 -1.403) 1.540 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -0.932 -8.256 -0.677) 8.336 2.287 ( 5.972 -9.344 -6.393) 12.800 2.495 ( 8.744 -3.742 2.148) 9.750 2.899 ( -0.766 8.479 10.243) 13.319 3.733 ( -1.626 -5.637 -2.690) 6.454 4.354 ( -2.582 -14.822 -4.701) 15.762 6.591 ( 19.537 -1.729 -2.232) 19.740 8.545 ( -11.598 -0.161 -4.061) 12.289 9.200 ( -7.415 -5.639 13.865) 16.704 9.650 ( 17.963 -3.373 3.190) 18.553 11.268 ( -1.662 -5.555 -3.519) 6.783 12.498 ( -4.121 0.562 -1.144) 4.313 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 1.178 -10.084 -0.867) 10.190 2.306 ( 9.579 -10.766 -5.194) 15.318 2.648 ( 12.415 -4.725 2.368) 13.493 2.992 ( -1.644 7.832 10.414) 13.134 3.634 ( -1.788 -5.957 -3.941) 7.363 4.141 ( -2.655 -15.514 -4.812) 16.459 7.039 ( 33.394 0.485 -0.049) 33.397 8.320 ( -12.817 -0.334 -1.549) 12.914 8.972 ( -10.284 -17.829 10.037) 22.899 9.971 ( 18.359 1.269 4.597) 18.968 11.173 ( -2.339 -4.083 -6.230) 7.807 12.406 ( -6.811 0.829 -0.088) 6.862 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 4.499 -10.518 -0.536) 11.453 2.343 ( 9.333 -12.997 -3.917) 16.474 2.800 ( 10.367 -6.797 2.184) 12.588 3.043 ( -3.877 4.822 10.355) 12.063 3.557 ( 1.275 -4.642 -5.148) 7.049 3.968 ( 1.093 -12.239 -4.581) 13.114 7.639 ( 30.224 1.333 -0.463) 30.257 8.127 ( -4.025 -5.253 5.760) 8.774 8.600 ( -12.000 -20.344 3.331) 23.853 10.289 ( 13.436 4.133 6.104) 15.325 11.064 ( -2.198 -5.405 -10.276) 11.817 12.306 ( -6.434 2.037 1.857) 6.999 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 7.744 -9.626 -0.233) 12.356 2.317 ( 5.439 -16.492 -3.041) 17.630 2.833 ( 2.727 -11.821 0.656) 12.149 3.042 ( -4.470 5.429 10.026) 12.247 3.568 ( 6.518 -3.941 -4.302) 8.748 3.939 ( 7.494 -5.850 -4.372) 10.464 7.580 ( -14.730 -24.150 1.213) 28.314 8.312 ( -6.147 -4.440 -1.642) 7.759 8.483 ( 33.898 1.962 8.454) 34.991 10.487 ( -1.125 6.467 5.365) 8.478 10.961 ( 5.769 -9.861 -12.440) 16.890 12.257 ( -3.554 3.662 3.655) 6.277 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -0.000 -9.898 -1.336) 9.988 2.099 ( -0.000 -12.233 -8.399) 14.839 2.388 ( 0.000 -3.918 2.664) 4.738 3.026 ( 0.000 9.048 11.687) 14.781 3.670 ( -0.000 -7.849 -3.690) 8.673 4.195 ( -0.000 -18.670 -5.323) 19.414 6.391 ( -0.000 -1.781 -2.942) 3.439 8.632 ( -0.000 -1.130 -5.320) 5.439 9.310 ( 0.000 -14.207 2.103) 14.361 9.402 ( 0.000 1.457 18.793) 18.850 11.222 ( -0.000 -3.701 -4.770) 6.038 12.534 ( -0.000 0.442 -1.368) 1.438 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -0.794 -12.595 -3.028) 12.979 2.025 ( 7.349 -12.981 -6.790) 16.389 2.431 ( 8.163 -4.405 2.744) 9.673 3.137 ( -1.497 8.119 12.523) 15.000 3.566 ( -0.634 -9.196 -4.944) 10.460 3.976 ( -0.684 -20.150 -5.827) 20.987 6.557 ( 21.479 -0.226 -1.793) 21.555 8.516 ( -9.659 -0.297 -4.199) 10.536 8.996 ( -12.741 -20.501 7.863) 25.386 9.684 ( 19.229 -1.037 12.369) 22.887 11.169 ( -2.202 -0.122 -6.409) 6.777 12.500 ( -3.753 0.361 -0.949) 3.888 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 2.847 -13.810 -2.253) 14.279 2.029 ( 10.243 -14.232 -5.284) 18.314 2.559 ( 10.810 -5.703 2.318) 12.440 3.194 ( -3.618 3.565 12.788) 13.760 3.457 ( 0.678 -8.942 -5.297) 10.415 3.780 ( 2.077 -16.421 -6.912) 17.937 7.061 ( 35.564 2.055 -0.336) 35.625 8.284 ( -16.207 -5.860 2.476) 17.411 8.581 ( -9.759 -22.527 2.308) 24.659 10.050 ( 20.354 -0.881 10.419) 22.883 11.089 ( -6.169 1.866 -8.778) 10.890 12.423 ( -5.379 0.679 0.536) 5.448 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 7.363 -13.368 -1.256) 15.313 2.027 ( 8.282 -17.001 -3.512) 19.234 2.653 ( 6.685 -8.585 1.054) 10.931 3.180 ( -2.954 -0.142 11.276) 11.658 3.397 ( 4.514 -9.114 -2.534) 10.481 3.718 ( 7.215 -7.609 -8.326) 13.389 7.553 ( 2.467 -13.847 -1.071) 14.106 7.978 ( 16.152 -10.793 8.668) 21.272 8.354 ( -4.021 -3.229 -2.417) 5.696 10.395 ( 18.820 -2.686 8.010) 20.629 10.926 ( -11.928 1.791 -10.703) 16.125 12.357 ( -3.985 1.705 2.634) 5.073 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -0.000 -15.549 -9.371) 18.154 1.795 ( -0.000 -13.705 -3.292) 14.095 2.326 ( 0.000 -4.224 3.433) 5.443 3.256 ( 0.000 3.552 13.367) 13.831 3.456 ( -0.000 -10.115 -5.048) 11.305 3.755 ( -0.000 -20.850 -7.182) 22.053 6.361 ( -0.000 0.451 -1.811) 1.866 8.557 ( -0.000 -3.994 -4.817) 6.258 9.005 ( 0.000 -17.795 0.745) 17.810 9.459 ( 0.000 -8.597 20.520) 22.248 11.201 ( -0.000 5.900 -6.177) 8.542 12.531 ( -0.000 0.127 -1.376) 1.382 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.873 -16.564 -5.975) 17.630 1.712 ( 7.562 -15.076 -5.821) 17.843 2.362 ( 7.161 -4.479 3.287) 9.063 3.221 ( -0.076 -14.433 1.178) 14.481 3.367 ( -0.890 -11.032 8.282) 13.823 3.590 ( 1.181 -5.326 -9.407) 10.875 6.570 ( 23.026 2.555 -0.759) 23.180 8.467 ( -3.089 -4.072 -3.795) 6.366 8.573 ( -22.190 -24.541 4.860) 33.441 9.666 ( 22.007 -9.582 13.617) 27.596 11.225 ( -4.698 9.920 -6.178) 12.596 12.499 ( -3.156 -0.021 -0.759) 3.246 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 5.592 -16.926 -3.781) 18.223 1.697 ( 9.587 -16.634 -4.124) 19.637 2.461 ( 8.068 -5.707 2.107) 10.104 3.080 ( 4.977 -18.537 -3.261) 19.469 3.248 ( 2.019 -16.521 8.583) 18.727 3.605 ( 0.379 6.078 -6.009) 8.556 7.119 ( 34.339 4.028 -0.197) 34.575 7.920 ( -22.225 -29.637 5.382) 37.434 8.378 ( -2.600 -1.712 -2.142) 3.778 9.982 ( 22.290 -11.680 6.571) 26.008 11.181 ( -10.906 11.637 -5.055) 16.731 12.438 ( -3.698 0.265 1.173) 3.888 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -0.000 -17.027 -9.135) 19.323 1.469 ( -0.000 -16.867 -5.570) 17.763 2.270 ( 0.000 -3.819 4.046) 5.564 2.997 ( -0.000 -26.609 -4.752) 27.030 3.225 ( 0.000 -20.197 5.057) 20.820 3.619 ( -0.000 9.756 -0.871) 9.795 6.392 ( -0.000 3.528 -0.309) 3.541 8.382 ( -0.000 -12.753 -2.161) 12.935 8.638 ( -0.000 -19.499 -1.047) 19.527 9.357 ( 0.000 -11.750 17.157) 20.794 11.370 ( -0.000 14.016 -4.796) 14.814 12.520 ( -0.000 -0.383 -1.464) 1.513 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 1.794 -18.685 -7.025) 20.043 1.368 ( 8.342 -16.600 -5.564) 19.393 2.301 ( 5.781 -3.821 3.440) 7.736 2.734 ( 4.861 -29.996 -4.434) 30.709 3.054 ( 1.500 -18.722 2.380) 18.932 3.706 ( -1.624 9.906 0.691) 10.062 6.651 ( 24.329 5.955 0.363) 25.050 8.034 ( -21.468 -28.447 2.009) 35.696 8.386 ( -2.789 -7.251 -1.346) 7.885 9.515 ( 20.060 -11.802 10.102) 25.372 11.448 ( -6.292 14.984 -3.736) 16.675 12.489 ( -2.321 -0.610 -0.579) 2.468 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.000 -17.095 -7.758) 18.773 1.079 ( -0.000 -18.681 -7.782) 20.238 2.230 ( 0.000 -2.804 4.067) 4.940 2.352 ( -0.000 -35.523 -3.119) 35.659 2.862 ( -0.000 -18.413 -0.160) 18.413 3.820 ( 0.000 9.278 1.621) 9.418 6.495 ( 0.000 6.704 1.082) 6.791 8.024 ( 0.000 -23.006 1.224) 23.038 8.246 ( -0.000 -19.400 -2.677) 19.584 9.275 ( 0.000 -5.856 13.412) 14.635 11.643 ( -0.000 15.705 -3.589) 16.110 12.497 ( -0.000 -1.099 -1.680) 2.007 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 0.000 -0.000 19.328) 19.328 0.361 ( 0.000 -0.000 19.328) 19.328 0.756 ( 0.000 -0.000 40.231) 40.231 2.148 ( -0.000 0.000 -3.727) 3.727 2.148 ( -0.000 0.000 -3.727) 3.727 4.580 ( -0.000 0.000 -6.884) 6.884 6.964 ( -0.000 0.000 -3.164) 3.164 6.964 ( -0.000 0.000 -3.164) 3.164 7.390 ( 0.000 -0.000 2.584) 2.584 7.390 ( 0.000 -0.000 2.584) 2.584 12.296 ( 0.000 -0.000 1.188) 1.188 12.339 ( 0.000 -0.000 1.070) 1.070 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 7.617 4.398 15.135) 17.505 0.585 ( 6.079 3.509 20.839) 21.990 1.167 ( 24.616 14.212 25.336) 38.076 2.177 ( 2.229 1.287 -2.803) 3.805 2.199 ( 6.919 3.995 -5.228) 9.548 4.169 ( -12.858 -7.423 2.990) 15.145 6.887 ( -7.642 -4.412 -0.523) 8.839 7.130 ( 14.703 8.489 -4.626) 17.597 7.487 ( 10.522 6.075 -0.675) 12.169 8.653 ( 49.540 28.602 -34.959) 67.040 12.119 ( -12.991 -7.500 1.360) 15.062 12.354 ( 0.621 0.359 -0.702) 1.003 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 11.726 6.770 11.274) 17.619 0.793 ( 8.230 4.752 16.658) 19.178 1.848 ( 28.824 16.641 14.091) 36.143 2.228 ( 2.944 1.700 -1.776) 3.835 2.410 ( 12.787 7.383 -5.614) 15.797 3.976 ( -6.264 -3.616 -1.637) 7.416 6.700 ( -8.200 -4.734 0.292) 9.473 7.507 ( 18.651 10.768 -5.774) 22.297 7.781 ( 15.298 8.832 -1.538) 17.732 9.334 ( 23.293 13.448 -7.078) 27.812 11.790 ( -15.729 -9.081 -3.197) 18.441 12.353 ( -0.157 -0.091 -2.782) 2.788 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 13.106 7.567 9.281) 17.753 1.064 ( 12.154 7.017 9.412) 16.898 2.296 ( 3.335 1.925 -0.875) 3.949 2.503 ( 25.862 14.931 6.637) 30.591 2.704 ( 14.081 8.129 -4.968) 17.001 3.859 ( -3.554 -2.052 -0.327) 4.117 6.538 ( -6.135 -3.542 0.847) 7.135 7.871 ( 14.655 8.461 -7.384) 18.463 8.150 ( 17.695 10.216 -1.557) 20.492 9.802 ( 19.541 11.282 8.242) 24.022 11.401 ( -17.323 -10.001 -6.770) 21.117 12.335 ( -0.462 -0.267 -3.984) 4.020 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 13.942 8.049 4.218) 16.642 1.385 ( 12.958 7.482 7.775) 16.862 2.370 ( 3.340 1.928 -0.222) 3.863 2.924 ( 9.993 5.770 -11.776) 16.487 3.070 ( 19.154 11.058 6.760) 23.127 3.845 ( 2.497 1.442 4.474) 5.322 6.435 ( -3.417 -1.973 1.673) 4.286 8.104 ( 8.209 4.740 -6.634) 11.570 8.556 ( 18.655 10.770 -1.518) 21.594 10.281 ( 20.315 11.729 10.808) 25.828 10.979 ( -18.088 -10.443 -7.085) 22.056 12.310 ( -0.565 -0.326 -4.263) 4.312 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 11.580 6.686 6.268) 14.768 1.704 ( 13.721 7.922 1.144) 15.884 2.441 ( 2.888 1.668 0.192) 3.341 3.001 ( 1.158 0.669 -11.900) 11.975 3.462 ( 14.096 8.139 3.860) 16.729 4.002 ( 8.913 5.146 6.871) 12.374 6.393 ( -1.017 -0.587 2.529) 2.788 8.220 ( 4.248 2.452 -4.167) 6.436 8.964 ( 17.799 10.276 -1.623) 20.616 10.520 ( -14.656 -8.462 -17.212) 24.138 10.797 ( 16.476 9.513 18.520) 26.551 12.283 ( -0.777 -0.449 -3.693) 3.801 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 9.209 5.317 4.850) 11.687 1.996 ( 12.063 6.964 -0.518) 13.938 2.497 ( 1.973 1.139 0.438) 2.320 2.947 ( -2.290 -1.322 -9.593) 9.950 3.733 ( 9.304 5.371 2.246) 10.975 4.230 ( 8.736 5.044 5.909) 11.691 6.396 ( 0.326 0.188 2.985) 3.009 8.294 ( 3.502 2.022 -1.611) 4.353 9.329 ( 14.860 8.580 -1.855) 17.259 10.114 ( -15.842 -9.147 -11.977) 21.865 11.227 ( 16.125 9.310 9.777) 21.031 12.253 ( -1.065 -0.615 -2.290) 2.599 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 6.049 3.492 3.792) 7.947 2.233 ( 9.085 5.245 -1.343) 10.577 2.529 ( 0.755 0.436 0.526) 1.018 2.864 ( -2.420 -1.397 -7.090) 7.621 3.896 ( 4.922 2.842 0.318) 5.692 4.408 ( 5.377 3.104 5.215) 8.109 6.415 ( 0.365 0.211 2.807) 2.838 8.377 ( 4.062 2.345 0.438) 4.711 9.606 ( 9.988 5.767 -2.101) 11.723 9.763 ( -11.896 -6.868 -9.739) 16.838 11.551 ( 10.310 5.953 3.587) 12.434 12.227 ( -0.736 -0.425 0.521) 0.996 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 2.009 1.160 3.344) 4.070 2.378 ( 3.647 2.106 -1.947) 4.640 2.535 ( -0.297 -0.171 0.303) 0.457 2.817 ( 0.473 0.273 -4.530) 4.563 3.958 ( 0.918 0.530 -1.704) 2.007 4.498 ( 1.139 0.658 5.066) 5.234 6.422 ( -0.516 -0.298 2.124) 2.206 8.464 ( 2.761 1.594 1.995) 3.761 9.551 ( -3.806 -2.197 -7.938) 9.073 9.755 ( 3.770 2.177 -2.217) 4.885 11.685 ( 1.196 0.691 -2.784) 3.107 12.240 ( 1.397 0.807 4.725) 4.993 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -2.982 -1.722 3.514) 4.920 2.371 ( -3.348 -1.933 -2.179) 4.438 2.522 ( -0.766 -0.442 -0.353) 0.952 2.873 ( 5.162 2.980 -2.118) 6.326 3.931 ( -2.621 -1.513 -2.946) 4.223 4.485 ( -3.724 -2.150 4.579) 6.282 6.404 ( -1.497 -0.864 1.314) 2.171 8.495 ( -0.668 -0.385 3.464) 3.549 9.561 ( 6.610 3.816 -7.668) 10.819 9.758 ( -2.901 -1.675 -2.078) 3.942 11.599 ( -7.154 -4.131 -5.173) 9.747 12.307 ( 2.530 1.460 6.358) 6.997 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -7.754 -4.477 3.841) 9.743 2.237 ( -7.780 -4.492 -1.232) 9.068 2.497 ( -1.391 -0.803 -1.133) 1.965 3.014 ( 7.455 4.304 -0.521) 8.624 3.825 ( -5.964 -3.443 -3.067) 7.539 4.353 ( -9.241 -5.335 3.235) 11.150 6.369 ( -1.743 -1.006 0.724) 2.139 8.476 ( -1.733 -1.001 5.060) 5.442 9.616 ( -9.032 -5.215 -1.597) 10.551 9.760 ( 12.260 7.078 -10.591) 17.679 11.361 ( -12.130 -7.003 -3.171) 14.361 12.378 ( 1.993 1.150 6.004) 6.430 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -11.483 -6.630 4.171) 13.901 2.023 ( -11.067 -6.390 0.311) 12.783 2.450 ( -2.322 -1.341 -1.890) 3.281 3.196 ( 8.527 4.923 1.186) 9.917 3.644 ( -9.434 -5.447 -2.400) 11.155 4.088 ( -14.950 -8.631 0.955) 17.289 6.340 ( -0.840 -0.485 0.427) 1.060 8.460 ( -1.232 -0.711 6.317) 6.475 9.354 ( -13.762 -7.945 -0.755) 15.909 9.969 ( 7.907 4.565 -18.688) 20.799 11.091 ( -9.716 -5.610 3.764) 11.834 12.433 ( 1.368 0.790 5.382) 5.609 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -13.955 -8.057 4.749) 16.799 1.746 ( -13.806 -7.971 2.179) 16.090 2.383 ( -2.986 -1.724 -2.661) 4.355 3.357 ( -7.983 -4.609 5.348) 10.657 3.418 ( 1.725 0.996 -1.382) 2.424 3.700 ( -18.152 -10.480 -3.979) 21.335 6.342 ( 1.065 0.615 0.202) 1.246 8.446 ( -2.407 -1.390 6.726) 7.278 9.009 ( -16.579 -9.572 0.372) 19.148 9.890 ( -8.986 -5.188 -25.049) 27.113 11.061 ( 5.669 3.273 9.201) 11.292 12.473 ( 0.821 0.474 4.656) 4.752 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -15.005 -8.663 5.872) 18.294 1.423 ( -15.730 -9.082 4.480) 18.708 2.305 ( -3.042 -1.756 -3.423) 4.905 2.964 ( -23.428 -13.526 2.324) 27.152 3.240 ( -18.191 -10.502 1.699) 21.073 3.631 ( 9.130 5.271 -3.569) 11.130 6.392 ( 3.463 1.999 -0.255) 4.007 8.349 ( -9.108 -5.259 4.760) 11.544 8.626 ( -17.455 -10.078 1.602) 20.219 9.535 ( -13.010 -7.511 -20.937) 25.769 11.319 ( 13.233 7.640 6.364) 16.553 12.497 ( 0.113 0.065 3.546) 3.548 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 10.914 17.117) 20.301 0.672 ( 0.000 15.075 15.153) 21.374 1.203 ( 0.000 21.483 29.182) 36.236 2.099 ( -0.000 -0.337 -5.826) 5.835 2.246 ( -0.000 10.533 -3.503) 11.101 4.182 ( 0.000 -15.699 1.544) 15.774 6.790 ( -0.000 -9.308 -3.105) 9.812 7.072 ( -0.000 13.247 -4.276) 13.920 7.621 ( 0.000 14.396 3.013) 14.708 8.449 ( -0.000 50.759 -31.708) 59.849 12.170 ( 0.000 -10.394 1.214) 10.464 12.369 ( -0.000 2.511 -0.848) 2.650 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 1.441 13.066 16.676) 21.234 0.864 ( 1.180 12.483 15.300) 19.781 1.689 ( 17.892 24.603 17.939) 35.317 2.140 ( 6.114 0.428 -5.096) 7.971 2.374 ( 2.953 13.552 -3.992) 14.433 4.009 ( -4.519 -8.141 -1.993) 9.522 6.956 ( 18.640 -7.221 -1.459) 20.043 7.015 ( -9.475 12.096 -4.739) 16.079 7.836 ( 4.900 19.480 -0.523) 20.094 9.011 ( 25.634 19.858 -15.397) 35.896 11.953 ( -12.450 -9.798 -0.300) 15.846 12.371 ( -1.701 2.052 -2.272) 3.502 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 5.677 10.772 16.498) 20.505 1.087 ( 4.778 16.152 8.593) 18.910 2.241 ( 7.570 4.353 -2.734) 9.151 2.304 ( 19.232 19.554 9.122) 28.904 2.588 ( 8.455 12.698 -4.303) 15.851 3.875 ( -2.815 -5.115 -2.115) 6.210 6.816 ( -18.834 15.162 -0.708) 24.189 7.398 ( 32.965 -7.777 -5.195) 34.266 8.103 ( 6.027 15.665 -1.853) 16.887 9.553 ( 24.476 11.056 -0.347) 26.859 11.601 ( -17.497 -8.408 -2.791) 19.612 12.345 ( -1.905 1.041 -3.406) 4.039 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 9.248 10.379 9.433) 16.800 1.376 ( 6.730 17.134 7.762) 19.978 2.353 ( 3.457 4.952 -1.599) 6.247 2.780 ( 11.747 11.491 -9.647) 19.055 2.900 ( 16.484 12.811 7.553) 22.202 3.820 ( 1.330 -1.926 1.677) 2.879 6.673 ( -15.747 15.694 0.303) 22.235 7.847 ( 26.149 -1.676 -6.657) 27.035 8.335 ( 10.663 5.926 -0.434) 12.207 10.059 ( 22.424 10.190 4.236) 24.993 11.204 ( -19.387 -6.491 -2.734) 20.627 12.311 ( -1.436 0.075 -3.945) 4.199 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 11.191 9.781 3.989) 15.389 1.676 ( 6.289 16.560 7.131) 19.096 2.447 ( 1.588 6.322 -0.822) 6.570 2.930 ( 4.048 2.380 -12.539) 13.390 3.313 ( 14.875 9.915 5.377) 18.668 3.914 ( 7.924 2.387 5.627) 10.008 6.595 ( -12.392 16.372 1.352) 20.577 8.140 ( 9.276 3.731 -5.162) 11.252 8.631 ( 22.872 -2.141 -0.805) 22.986 10.469 ( 12.281 3.178 -10.160) 16.253 10.873 ( -11.641 2.183 11.322) 16.385 12.275 ( -0.815 -0.978 -3.674) 3.889 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 11.280 8.418 0.827) 14.099 1.944 ( 4.539 15.187 5.989) 16.945 2.523 ( 0.003 6.665 -0.462) 6.681 2.921 ( -0.199 -1.627 -10.903) 11.025 3.620 ( 11.033 5.732 3.244) 12.850 4.125 ( 10.291 3.169 5.876) 12.267 6.576 ( -9.988 16.937 2.090) 19.774 8.251 ( 3.142 2.387 -1.366) 4.176 9.007 ( 24.168 -3.679 -3.863) 24.750 10.304 ( -15.043 -2.434 -14.089) 20.754 11.093 ( 13.597 9.836 13.548) 21.569 12.242 ( -0.283 -2.060 -2.498) 3.250 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 9.620 6.618 -0.842) 11.707 2.155 ( 2.221 13.028 4.744) 14.041 2.572 ( -1.492 6.163 -0.249) 6.346 2.854 ( -1.382 -2.304 -8.380) 8.800 3.819 ( 7.196 2.367 1.208) 7.671 4.325 ( 8.498 1.016 5.379) 10.108 6.590 ( -9.130 17.232 2.249) 19.630 8.316 ( 3.697 -0.032 1.150) 3.871 9.301 ( 18.095 -7.792 -7.500) 21.080 10.020 ( -15.101 6.410 -7.361) 17.980 11.427 ( 12.128 5.802 5.969) 14.710 12.214 ( 0.439 -2.765 -0.071) 2.800 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -0.709 10.392 3.398) 10.956 2.311 ( 5.967 3.804 -1.397) 7.213 2.591 ( -2.701 5.482 0.012) 6.111 2.796 ( -0.388 -1.043 -6.069) 6.171 3.917 ( 3.405 -0.408 -1.071) 3.593 4.455 ( 5.154 -1.701 5.486) 7.717 6.607 ( -9.773 17.283 1.895) 19.945 8.382 ( 5.118 -3.440 2.464) 6.641 9.400 ( 8.572 -9.733 -10.395) 16.622 9.909 ( -9.001 13.677 -1.855) 16.478 11.620 ( 5.784 0.172 -1.004) 5.873 12.215 ( 2.317 -2.308 3.847) 5.049 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -5.318 7.406 3.428) 9.740 2.375 ( 0.222 -0.874 -2.491) 2.650 2.594 ( -3.741 6.147 0.177) 7.198 2.806 ( 3.824 1.297 -4.011) 5.692 3.924 ( 0.024 -2.559 -2.685) 3.709 4.494 ( 0.777 -4.333 5.493) 7.039 6.604 ( -11.162 17.210 1.357) 20.558 8.423 ( 4.699 -7.255 3.033) 9.161 9.430 ( 7.502 -2.288 -9.246) 12.125 9.892 ( -8.290 10.578 -1.104) 13.485 11.614 ( -2.005 -5.191 -4.850) 7.382 12.270 ( 4.122 -1.473 6.183) 7.576 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -9.078 2.242 2.290) 9.627 2.304 ( -5.659 -1.961 -0.746) 6.036 2.582 ( -5.179 6.648 -0.462) 8.440 2.917 ( 7.518 2.842 -2.499) 8.416 3.856 ( -3.138 -4.241 -3.025) 6.082 4.424 ( -4.656 -6.854 4.774) 9.563 6.577 ( -12.192 17.297 0.965) 21.184 8.424 ( 3.619 -8.250 3.712) 9.744 9.545 ( 8.455 -1.648 -7.911) 11.696 9.819 ( -9.140 9.364 -2.942) 13.412 11.447 ( -7.847 -8.086 -4.048) 11.973 12.345 ( 3.959 -1.495 5.884) 7.248 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -11.846 -2.228 1.608) 12.161 2.152 ( -10.650 -1.240 1.618) 10.843 2.543 ( -6.369 5.931 -1.306) 8.800 3.086 ( 9.312 3.701 -1.603) 10.148 3.718 ( -6.510 -5.711 -2.195) 8.934 4.228 ( -10.932 -9.196 3.341) 14.671 6.544 ( -12.114 17.963 0.819) 21.682 8.421 ( 3.462 -6.917 4.471) 8.934 9.447 ( -9.355 -11.777 -2.446) 15.238 9.893 ( 4.865 13.603 -12.695) 19.232 11.200 ( -9.966 -8.221 0.623) 12.934 12.407 ( 3.223 -1.604 4.983) 6.148 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -14.727 -4.485 2.578) 15.609 1.934 ( -14.344 -1.407 2.936) 14.709 2.476 ( -7.026 4.741 -2.117) 8.736 3.287 ( 10.319 4.238 -1.247) 11.225 3.510 ( -10.516 -7.133 -0.496) 12.716 3.899 ( -17.199 -10.934 1.627) 20.445 6.533 ( -10.910 19.425 0.728) 22.291 8.432 ( 3.003 -5.329 4.824) 7.790 9.082 ( -13.640 -20.246 -1.868) 24.483 9.995 ( -4.927 11.508 -19.940) 23.544 11.037 ( -0.835 -4.095 7.864) 8.906 12.454 ( 2.515 -1.629 3.957) 4.964 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -16.683 -6.279 4.277) 18.332 1.666 ( -17.080 -1.272 4.225) 17.640 2.390 ( -6.977 3.704 -2.849) 8.397 3.209 ( -17.174 -9.068 2.245) 19.550 3.462 ( -15.777 -9.591 -7.835) 20.058 3.506 ( 5.866 3.072 5.960) 8.909 6.565 ( -9.036 21.541 0.384) 23.362 8.426 ( -2.171 -3.847 4.998) 6.670 8.609 ( -10.809 -29.946 -3.063) 31.984 9.810 ( -19.917 10.082 -17.395) 28.300 11.162 ( 12.382 1.244 7.389) 14.473 12.483 ( 1.714 -1.798 2.592) 3.590 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.000 13.766 15.442) 20.688 1.034 ( 0.000 12.847 15.276) 19.960 1.871 ( 0.000 30.881 16.734) 35.123 2.071 ( -0.000 1.610 -6.595) 6.789 2.487 ( -0.000 15.644 -3.938) 16.132 3.950 ( -0.000 -9.350 -3.053) 9.836 6.606 ( -0.000 -7.681 -1.612) 7.848 7.415 ( -0.000 24.182 -6.549) 25.053 7.944 ( 0.000 16.873 1.745) 16.963 8.915 ( -0.000 16.825 -11.250) 20.240 11.946 ( -0.000 -12.789 -0.136) 12.789 12.412 ( -0.000 3.062 -3.172) 4.409 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.067 12.924 17.238) 21.545 1.219 ( 2.346 15.511 10.020) 18.614 2.136 ( 6.886 3.344 -5.750) 9.575 2.310 ( 10.083 28.414 11.204) 32.164 2.640 ( 1.590 15.514 -4.468) 16.223 3.841 ( -1.303 -7.201 -2.860) 7.857 6.766 ( 25.352 -7.741 -1.566) 26.554 7.399 ( -22.565 25.593 -5.060) 34.494 8.168 ( 3.745 14.974 -0.757) 15.453 9.237 ( 22.359 10.118 -3.029) 24.728 11.737 ( -9.397 -11.758 -0.611) 15.064 12.400 ( -3.155 2.687 -3.806) 5.627 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 2.633 12.039 12.181) 17.327 1.484 ( 5.441 18.242 8.486) 20.842 2.297 ( 8.216 4.885 -3.673) 10.240 2.737 ( 6.548 17.710 -7.055) 20.157 2.846 ( 8.941 16.502 6.579) 19.889 3.775 ( 0.975 -3.771 0.363) 3.912 7.163 ( 6.403 7.459 0.529) 9.845 7.290 ( 5.061 12.477 -6.841) 15.103 8.315 ( 1.446 7.410 -0.466) 7.564 9.746 ( 25.717 8.394 0.187) 27.053 11.431 ( -14.510 -7.944 0.268) 16.544 12.348 ( -3.696 1.528 -4.188) 5.791 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 6.324 11.326 6.578) 14.545 1.786 ( 5.491 18.958 7.665) 21.174 2.464 ( 5.229 7.376 -2.241) 9.315 2.864 ( 2.426 4.998 -13.051) 14.184 3.221 ( 11.212 14.256 6.567) 19.289 3.826 ( 5.981 0.970 4.526) 7.563 7.092 ( -20.206 25.892 -0.695) 32.851 7.774 ( 33.268 -1.563 -6.078) 33.855 8.381 ( 3.143 -0.225 0.900) 3.277 10.205 ( 20.003 4.306 -4.368) 20.922 11.142 ( -13.802 -0.704 6.072) 15.095 12.285 ( -2.912 -0.214 -4.178) 5.097 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 8.386 9.823 2.802) 13.216 2.070 ( 3.750 18.451 6.438) 19.898 2.596 ( 1.335 9.547 -1.897) 9.825 2.864 ( 0.698 -1.174 -11.835) 11.914 3.518 ( 9.424 8.051 4.174) 13.079 3.998 ( 9.399 2.551 5.473) 11.171 7.031 ( -17.129 26.351 -0.086) 31.429 8.200 ( 11.811 5.267 -3.426) 13.379 8.495 ( 20.874 -9.765 -2.508) 23.181 10.378 ( 0.997 -1.342 -12.019) 12.135 11.097 ( 1.435 8.425 14.211) 16.583 12.222 ( -1.615 -2.298 -3.494) 4.483 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 8.626 7.632 0.395) 11.524 2.303 ( 1.158 17.110 5.179) 17.914 2.676 ( -1.918 8.867 -2.801) 9.495 2.819 ( -0.028 -1.494 -8.109) 8.245 3.725 ( 7.303 3.342 2.224) 8.334 4.190 ( 9.349 0.081 4.962) 10.584 7.021 ( -14.693 26.431 0.048) 30.241 8.286 ( 0.155 0.447 2.041) 2.095 8.824 ( 25.614 -8.608 -9.501) 28.643 10.270 ( -8.683 5.170 -6.755) 12.156 11.323 ( 9.000 6.296 9.181) 14.316 12.168 ( 0.103 -4.283 -1.647) 4.590 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 7.106 4.739 -1.147) 8.618 2.469 ( -2.004 15.159 3.978) 15.800 2.686 ( -1.696 3.145 -4.085) 5.427 2.801 ( -2.144 4.759 -3.855) 6.489 3.841 ( 4.441 -0.311 -0.275) 4.460 4.335 ( 7.690 -3.192 5.204) 9.819 7.041 ( -13.929 26.844 -0.329) 30.244 8.283 ( 1.739 -5.264 2.953) 6.281 9.071 ( 16.426 -6.656 -10.925) 20.820 10.200 ( -8.751 13.076 -1.397) 15.797 11.512 ( 6.552 0.387 1.773) 6.799 12.143 ( 2.733 -5.147 1.972) 6.152 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 2.890 0.761 -2.244) 3.737 2.547 ( -5.924 12.092 2.834) 13.761 2.695 ( 1.326 2.998 -2.286) 3.997 2.802 ( -3.817 7.684 -2.693) 8.992 3.871 ( 1.748 -3.166 -2.407) 4.345 4.414 ( 4.653 -5.810 5.693) 9.371 7.063 ( -15.029 27.593 -0.741) 31.430 8.268 ( 3.989 -9.423 2.851) 10.622 9.214 ( 10.949 -2.963 -9.254) 14.639 10.187 ( -10.193 15.117 0.504) 18.240 11.547 ( 1.345 -5.884 -3.829) 7.148 12.178 ( 5.420 -4.579 5.177) 8.783 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -2.479 -2.400 -2.333) 4.165 2.521 ( -9.881 8.633 2.280) 13.318 2.769 ( -2.748 10.033 1.113) 10.462 2.816 ( 2.604 3.312 -4.526) 6.184 3.830 ( -0.554 -5.171 -3.106) 6.058 4.407 ( 0.058 -7.742 5.515) 9.506 7.063 ( -16.875 28.197 -0.690) 32.868 8.259 ( 5.322 -10.016 2.608) 11.638 9.341 ( 9.833 -2.393 -7.705) 12.719 10.125 ( -13.539 13.162 0.149) 18.883 11.441 ( -3.088 -9.152 -4.455) 10.637 12.251 ( 5.981 -4.185 5.294) 9.018 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -6.823 -3.603 -1.543) 7.869 2.406 ( -12.874 6.088 2.559) 14.469 2.756 ( -9.025 10.745 -0.643) 14.047 2.951 ( 9.196 2.603 -2.967) 10.007 3.735 ( -3.142 -6.282 -2.221) 7.366 4.293 ( -5.856 -9.120 4.593) 11.772 7.044 ( -17.838 28.916 -0.138) 33.976 8.269 ( 5.589 -8.350 2.212) 10.288 9.383 ( 1.781 -10.671 -6.206) 12.473 10.040 ( -8.666 14.059 -3.350) 16.851 11.257 ( -6.597 -9.056 -1.203) 11.268 12.322 ( 5.349 -3.859 4.112) 7.773 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -10.911 -4.072 -0.389) 11.653 2.225 ( -15.588 4.257 3.252) 16.483 2.684 ( -10.109 8.539 -1.481) 13.315 3.136 ( 10.440 2.979 -3.845) 11.517 3.589 ( -6.553 -6.409 0.146) 9.167 4.059 ( -12.468 -9.635 3.558) 16.153 7.034 ( -17.440 30.340 0.466) 34.998 8.294 ( 5.549 -7.277 1.293) 9.242 9.104 ( -12.891 -21.387 -3.540) 25.221 10.116 ( 0.010 16.002 -10.701) 19.251 11.063 ( -6.181 -7.537 5.197) 11.046 12.380 ( 4.457 -3.415 2.661) 6.213 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -14.668 -4.109 1.262) 15.285 1.986 ( -17.888 2.432 3.878) 18.464 2.579 ( -10.050 6.174 -1.932) 11.952 3.302 ( 5.425 -1.227 -10.292) 11.699 3.407 ( -6.637 -3.103 5.607) 9.226 3.724 ( -17.481 -7.525 4.827) 19.634 7.056 ( -16.021 32.022 0.612) 35.811 8.305 ( 4.380 -11.346 -1.850) 12.302 8.594 ( -16.993 -24.330 -0.534) 29.681 10.162 ( -10.779 15.378 -13.702) 23.247 11.005 ( 5.666 -5.367 9.571) 12.349 12.421 ( 3.410 -3.097 0.947) 4.702 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.000 14.958 13.950) 20.453 1.368 ( 0.000 12.668 12.463) 17.771 2.085 ( -0.000 3.821 -6.023) 7.133 2.561 ( 0.000 30.989 8.101) 32.030 2.766 ( -0.000 15.071 -5.044) 15.893 3.772 ( -0.000 -6.603 -1.957) 6.886 6.479 ( 0.000 -4.825 0.032) 4.825 7.874 ( -0.000 26.101 -8.006) 27.301 8.290 ( 0.000 17.944 0.195) 17.945 9.085 ( 0.000 5.608 0.047) 5.608 11.685 ( -0.000 -13.336 -0.288) 13.339 12.447 ( -0.000 2.900 -4.207) 5.110 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -1.801 12.502 12.165) 17.537 1.583 ( 5.032 15.537 9.745) 19.017 2.183 ( 7.912 4.889 -4.651) 10.399 2.832 ( 0.125 15.149 -11.468) 19.001 2.954 ( 3.820 23.005 8.590) 24.852 3.727 ( 0.814 -2.654 1.405) 3.111 6.645 ( 23.057 -4.161 -0.046) 23.429 7.891 ( -21.197 27.711 -6.763) 35.538 8.406 ( -3.311 9.683 0.002) 10.233 9.388 ( 24.226 6.306 0.921) 25.050 11.510 ( -5.891 -10.913 0.684) 12.420 12.426 ( -3.867 2.562 -4.373) 6.375 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.965 11.767 7.813) 14.158 1.874 ( 7.259 16.230 8.233) 19.593 2.384 ( 10.151 6.097 -3.199) 12.266 2.871 ( -1.246 5.339 -14.186) 15.209 3.270 ( 4.796 18.821 6.281) 20.412 3.775 ( 3.557 3.125 5.051) 6.923 7.106 ( 34.301 -3.390 -1.195) 34.489 7.756 ( -23.468 28.063 -5.118) 36.939 8.410 ( -2.858 3.180 0.183) 4.279 9.866 ( 23.740 4.182 -1.540) 24.155 11.315 ( -7.777 -4.905 4.033) 10.040 12.351 ( -5.466 1.517 -4.441) 7.204 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 4.194 10.520 4.349) 12.132 2.174 ( 6.611 15.757 6.486) 18.277 2.604 ( 8.207 8.292 -2.538) 11.939 2.826 ( -1.688 0.029 -12.836) 12.946 3.506 ( 4.452 10.948 4.281) 12.570 3.919 ( 5.674 5.411 5.499) 9.577 7.591 ( -7.052 19.648 1.228) 20.911 7.721 ( 23.065 4.139 -8.183) 24.821 8.381 ( -3.075 1.161 -0.285) 3.299 10.203 ( 14.206 0.144 -5.208) 15.131 11.223 ( -3.286 2.880 9.416) 10.380 12.251 ( -5.227 -0.501 -4.347) 6.817 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 5.911 8.443 1.770) 10.457 2.431 ( 4.455 14.039 4.250) 15.330 2.751 ( -2.138 0.363 -9.201) 9.453 2.796 ( 4.374 8.995 -2.319) 10.267 3.670 ( 4.661 5.003 3.087) 7.502 4.075 ( 6.083 2.219 4.244) 7.742 7.543 ( -16.603 24.601 -1.523) 29.718 8.229 ( 30.254 -8.794 -8.355) 32.595 8.342 ( -1.673 6.336 0.955) 6.622 10.334 ( 3.451 2.633 -4.769) 6.449 11.310 ( 3.633 5.176 10.488) 12.247 12.144 ( -3.582 -3.370 -3.670) 6.136 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 5.948 5.685 -0.131) 8.229 2.599 ( 1.930 5.925 -2.556) 6.735 2.718 ( -1.317 5.949 -0.721) 6.135 2.921 ( -1.125 11.784 -1.981) 12.002 3.777 ( 3.507 1.019 0.987) 3.783 4.190 ( 6.583 -2.873 4.030) 8.235 7.525 ( -12.804 23.979 -2.625) 27.310 8.233 ( -0.622 -7.630 -1.541) 7.809 8.693 ( 20.418 3.565 -5.277) 21.388 10.399 ( -1.117 10.025 -1.274) 10.168 11.444 ( 3.821 1.436 5.717) 7.025 12.055 ( 0.118 -6.392 -1.222) 6.509 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 3.919 2.310 -1.510) 4.793 2.622 ( 2.400 -0.693 -5.057) 5.641 2.794 ( -4.069 12.623 2.821) 13.560 2.983 ( -4.268 12.181 -0.957) 12.942 3.808 ( 1.121 -2.188 -1.830) 3.065 4.269 ( 6.689 -6.649 4.971) 10.662 7.557 ( -11.220 25.677 -4.180) 28.331 8.143 ( 0.580 -9.505 0.648) 9.545 8.986 ( 12.291 3.562 -4.637) 13.611 10.477 ( -4.976 15.004 1.159) 15.850 11.465 ( -0.154 -5.070 -1.416) 5.266 12.036 ( 5.478 -7.476 2.981) 9.736 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -0.117 -0.731 -1.979) 2.113 2.674 ( 4.711 1.076 -3.107) 5.745 2.801 ( -8.099 9.555 0.306) 12.530 3.025 ( -5.902 13.764 0.924) 15.004 3.769 ( -0.150 -5.386 -3.310) 6.324 4.308 ( 4.280 -8.293 5.310) 10.738 7.601 ( -13.123 27.425 -4.941) 30.802 8.094 ( 4.002 -8.446 2.247) 9.613 9.158 ( 7.280 0.948 -3.982) 8.352 10.493 ( -12.075 15.119 2.099) 19.463 11.361 ( -1.145 -10.001 -4.448) 11.005 12.095 ( 7.822 -6.837 4.236) 11.220 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -4.006 -1.824 -1.433) 4.629 2.683 ( -10.595 6.625 1.060) 12.541 2.812 ( 6.495 1.691 -4.541) 8.104 3.040 ( -9.032 13.917 1.458) 16.655 3.691 ( -0.495 -7.203 -2.506) 7.643 4.274 ( -0.518 -8.677 4.582) 9.826 7.612 ( -14.686 26.164 -3.146) 30.169 8.125 ( 4.588 -2.428 1.094) 5.305 9.214 ( 3.477 -7.487 -4.374) 9.342 10.381 ( -15.843 11.926 1.022) 19.857 11.233 ( -1.691 -9.038 -2.107) 9.433 12.178 ( 7.626 -5.713 3.036) 10.001 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -7.923 -1.859 -0.721) 8.170 2.529 ( -14.092 4.670 1.857) 14.962 2.912 ( -0.805 4.407 -4.816) 6.578 3.024 ( -1.711 7.242 -0.602) 7.466 3.603 ( -2.026 -5.772 0.411) 6.131 4.146 ( -6.570 -7.950 3.533) 10.902 7.613 ( -14.254 25.937 -0.538) 29.601 8.179 ( 1.742 1.469 -1.546) 2.754 9.049 ( -6.466 -20.215 -4.404) 21.676 10.285 ( -7.016 12.006 -2.397) 14.111 11.107 ( -4.892 -6.288 3.145) 8.565 12.255 ( 6.554 -4.410 1.231) 7.994 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -11.853 -1.357 0.059) 11.930 2.312 ( -16.524 1.980 2.846) 16.884 2.818 ( -11.610 5.178 -1.545) 12.806 3.131 ( 8.459 -0.407 -8.351) 11.894 3.512 ( -5.363 -1.772 4.463) 7.198 3.930 ( -12.278 -5.015 3.694) 13.767 7.631 ( -13.822 24.892 1.212) 28.498 8.180 ( -2.178 -0.668 -5.514) 5.966 8.623 ( -13.588 -23.706 -1.462) 27.364 10.354 ( 0.177 13.605 -8.092) 15.831 10.971 ( -5.361 -6.569 9.792) 12.953 12.317 ( 5.134 -3.319 -0.688) 6.152 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.000 11.599 8.847) 14.588 1.708 ( 0.000 14.699 11.567) 18.705 2.143 ( -0.000 5.325 -4.576) 7.021 2.900 ( -0.000 7.056 -15.066) 16.637 3.192 ( 0.000 24.625 7.201) 25.656 3.725 ( 0.000 2.734 4.571) 5.326 6.421 ( 0.000 -1.699 1.548) 2.298 8.282 ( -0.000 20.110 -8.667) 21.898 8.638 ( -0.000 17.964 -1.117) 17.998 9.162 ( 0.000 1.409 3.888) 4.136 11.451 ( 0.000 -10.209 1.024) 10.260 12.473 ( -0.000 2.467 -4.353) 5.003 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -2.078 10.854 7.063) 13.115 1.932 ( 5.553 14.060 8.774) 17.478 2.264 ( 8.505 5.646 -3.279) 10.722 2.882 ( -1.029 1.341 -15.604) 15.696 3.430 ( 0.741 17.832 4.691) 18.454 3.815 ( 1.078 9.952 6.731) 12.062 6.600 ( 20.915 -1.035 1.193) 20.974 8.353 ( -12.907 23.431 -9.253) 28.306 8.553 ( -14.070 5.577 2.099) 15.280 9.491 ( 24.615 3.635 1.056) 24.905 11.350 ( -2.429 -6.069 2.758) 7.095 12.445 ( -4.268 2.130 -4.276) 6.406 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.297 10.011 4.601) 11.022 2.204 ( 7.779 12.701 6.538) 16.265 2.487 ( 11.673 6.103 -2.706) 13.448 2.813 ( -1.353 -1.287 -13.297) 13.427 3.587 ( 0.535 10.258 3.640) 10.898 3.968 ( 0.846 12.299 5.747) 13.601 7.053 ( 32.498 -1.523 -0.751) 32.542 8.215 ( -22.833 18.935 -2.252) 29.748 8.474 ( -3.554 6.390 -4.000) 8.335 9.905 ( 20.423 1.398 -0.398) 20.475 11.293 ( -1.392 -0.733 5.708) 5.920 12.352 ( -6.991 1.340 -4.249) 8.290 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 2.694 8.426 2.545) 9.205 2.454 ( 6.590 9.370 2.432) 11.711 2.710 ( 4.898 0.833 -3.741) 6.219 2.784 ( 5.754 6.708 -6.435) 10.933 3.681 ( 1.028 4.600 3.299) 5.754 4.091 ( -0.488 8.783 3.563) 9.490 7.593 ( 33.294 -4.205 -3.550) 33.745 8.021 ( -17.263 13.037 -0.952) 21.654 8.481 ( -4.258 11.919 -4.306) 13.370 10.202 ( 13.300 2.504 -0.606) 13.547 11.327 ( 2.027 1.550 8.001) 8.398 12.216 ( -8.094 -0.310 -4.265) 9.154 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 3.784 6.047 0.776) 7.176 2.566 ( 1.737 0.092 -6.318) 6.553 2.779 ( 3.924 6.954 3.491) 8.714 2.999 ( 5.657 11.379 -2.905) 13.035 3.741 ( 2.399 0.272 2.785) 3.686 4.141 ( -1.113 2.651 2.001) 3.503 7.876 ( -7.283 6.826 0.813) 10.014 7.990 ( 15.054 -5.243 -9.995) 18.815 8.595 ( 3.726 17.379 0.074) 17.774 10.423 ( 7.702 7.693 -0.002) 10.886 11.415 ( 3.850 -0.502 7.831) 8.741 12.053 ( -7.287 -3.249 -3.924) 8.891 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 3.401 3.255 -0.630) 4.750 2.558 ( 1.675 -1.377 -5.174) 5.609 2.940 ( 2.345 10.179 3.687) 11.077 3.139 ( -0.916 10.870 -2.122) 11.113 3.781 ( 1.446 -0.786 0.523) 1.727 4.135 ( 1.600 -4.517 2.506) 5.408 7.855 ( -4.093 10.909 -2.142) 11.847 8.034 ( 2.792 -7.495 -6.518) 10.317 8.895 ( 8.867 15.827 1.031) 18.171 10.619 ( 3.905 12.050 0.814) 12.693 11.453 ( -0.792 -3.391 3.714) 5.091 11.909 ( -1.264 -7.554 -1.385) 7.783 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 1.260 0.743 -1.281) 1.944 2.585 ( 4.078 -0.043 -3.348) 5.276 3.029 ( -5.749 10.273 0.312) 11.776 3.210 ( -0.648 9.768 1.592) 9.918 3.749 ( -3.701 -1.680 -3.139) 5.136 4.146 ( 6.027 -8.786 4.240) 11.468 7.926 ( -3.459 13.472 -8.882) 16.503 7.977 ( 3.094 -4.895 2.126) 6.169 9.133 ( 2.472 11.080 0.873) 11.386 10.776 ( -1.773 13.935 2.519) 14.271 11.318 ( -7.468 -7.952 -2.774) 11.256 11.889 ( 7.846 -9.092 2.309) 12.230 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -1.627 -0.267 -0.923) 1.889 2.670 ( 6.388 0.832 -3.079) 7.140 2.961 ( -10.816 6.705 -0.911) 12.758 3.308 ( -3.543 13.219 3.608) 14.153 3.625 ( -3.451 -6.849 -3.857) 8.584 4.170 ( 4.540 -8.323 3.675) 10.168 7.879 ( -2.896 0.329 -2.553) 3.875 8.127 ( 3.955 14.662 -3.533) 15.592 9.178 ( -4.872 1.239 0.409) 5.044 10.778 ( -15.941 11.372 3.233) 19.847 11.139 ( 0.589 -8.882 -2.877) 9.355 11.974 ( 9.969 -7.029 1.750) 12.323 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -4.862 -0.092 -0.375) 4.877 2.772 ( -0.634 1.896 -0.289) 2.020 2.826 ( -4.314 2.539 -3.867) 6.325 3.290 ( -13.060 8.095 0.182) 15.367 3.550 ( 2.684 -4.055 1.214) 5.012 4.144 ( -0.369 -6.258 2.220) 6.650 7.848 ( -1.308 1.265 0.212) 1.832 8.321 ( 0.017 19.988 -7.140) 21.225 8.986 ( -10.821 -13.484 -0.463) 17.296 10.562 ( -15.489 5.055 0.835) 16.314 11.116 ( 0.060 -1.992 2.998) 3.600 12.083 ( 8.961 -4.395 -0.219) 9.984 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -8.571 0.675 -0.036) 8.598 2.591 ( -14.571 -0.007 2.151) 14.729 2.922 ( 6.839 1.359 -6.522) 9.548 3.090 ( -11.664 -2.215 -2.107) 12.058 3.582 ( -1.118 3.064 4.700) 5.721 4.054 ( -5.687 -2.469 1.783) 6.451 7.833 ( -2.247 -2.514 0.925) 3.496 8.445 ( -7.006 21.645 -10.155) 24.914 8.590 ( -13.760 -18.957 0.397) 23.428 10.438 ( -3.757 3.686 -0.860) 5.333 11.077 ( -6.076 0.349 7.611) 9.745 12.182 ( 7.051 -2.420 -2.124) 7.752 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 0.000 9.351 5.226) 10.712 2.039 ( 0.000 12.864 7.676) 14.980 2.229 ( -0.000 5.573 -2.465) 6.094 2.836 ( -0.000 -2.138 -15.082) 15.232 3.586 ( 0.000 12.267 3.569) 12.776 3.963 ( 0.000 16.343 6.754) 17.684 6.427 ( 0.000 0.845 2.472) 2.612 8.531 ( -0.000 10.962 -8.154) 13.662 8.968 ( -0.000 16.700 -1.667) 16.783 9.188 ( 0.000 -1.344 3.835) 4.064 11.326 ( 0.000 -3.513 2.887) 4.548 12.490 ( -0.000 1.936 -4.092) 4.527 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -1.577 8.402 3.366) 9.187 2.225 ( 5.271 11.264 5.837) 13.738 2.354 ( 8.503 5.121 -2.020) 10.129 2.762 ( -0.281 -3.300 -12.370) 12.806 3.689 ( -0.585 7.876 3.167) 8.509 4.138 ( -1.223 16.533 4.991) 17.313 6.610 ( 18.748 0.932 1.676) 18.846 8.568 ( -3.970 4.171 -4.605) 7.373 8.751 ( -21.505 13.635 -2.916) 25.630 9.556 ( 23.279 2.821 1.982) 23.533 11.315 ( -0.421 0.027 4.022) 4.044 12.456 ( -4.484 1.666 -3.957) 6.208 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 0.205 7.419 2.129) 7.721 2.437 ( 5.767 7.778 2.918) 10.113 2.579 ( 11.914 4.532 -2.084) 12.916 2.711 ( 2.665 -1.071 -7.542) 8.070 3.739 ( -1.467 4.033 2.820) 5.135 4.254 ( -3.776 12.931 2.843) 13.768 7.030 ( 28.746 -0.598 -0.506) 28.757 8.375 ( -16.206 0.805 2.486) 16.415 8.678 ( -5.857 15.268 -9.199) 18.762 9.953 ( 19.551 3.414 2.470) 20.000 11.335 ( 0.297 1.040 5.231) 5.342 12.352 ( -8.014 1.266 -3.881) 8.994 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 1.602 5.649 1.074) 5.970 2.529 ( 0.754 0.579 -4.678) 4.774 2.739 ( 7.393 3.322 3.093) 8.675 2.914 ( 13.725 7.560 -3.059) 15.965 3.739 ( -1.538 -0.072 2.792) 3.188 4.275 ( -6.528 8.023 0.874) 10.380 7.490 ( 26.615 -3.739 -2.671) 27.009 8.148 ( -12.397 2.334 0.639) 12.631 8.741 ( -0.809 15.151 -5.169) 16.029 10.303 ( 15.319 7.033 2.118) 16.989 11.366 ( 1.592 -2.091 5.943) 6.499 12.191 ( -10.599 0.409 -3.831) 11.277 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 2.076 3.445 0.112) 4.024 2.517 ( 0.399 -0.471 -3.526) 3.580 2.928 ( 8.263 4.839 3.587) 10.226 3.181 ( 7.948 9.044 -3.486) 12.535 3.721 ( 1.504 -3.895 3.399) 5.384 4.200 ( -8.407 2.806 -0.441) 8.874 7.780 ( 13.638 -5.236 -1.727) 14.711 8.020 ( -5.668 3.238 -2.730) 7.076 8.937 ( 6.700 16.067 -1.028) 17.438 10.614 ( 10.211 11.020 0.939) 15.053 11.380 ( 3.390 -7.368 5.790) 9.965 11.983 ( -12.004 -1.376 -3.566) 12.598 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 1.554 1.551 -0.441) 2.240 2.527 ( 1.949 0.489 -1.829) 2.718 3.121 ( 6.885 5.760 2.990) 9.462 3.290 ( -2.595 6.370 -3.251) 7.608 3.762 ( 5.119 -2.014 1.973) 5.844 4.060 ( -6.805 -3.441 -0.036) 7.626 7.880 ( 4.312 -3.606 0.546) 5.647 7.999 ( 0.502 5.186 -4.482) 6.873 9.208 ( 6.036 13.218 0.574) 14.542 10.851 ( 4.798 10.744 0.427) 11.774 11.362 ( 0.336 -8.120 3.014) 8.668 11.767 ( -6.701 -4.889 -1.802) 8.489 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.080 0.726 -0.302) 0.790 2.582 ( 4.069 1.276 -1.578) 4.547 3.191 ( -9.335 6.093 -1.486) 11.245 3.328 ( 7.849 0.266 2.674) 8.296 3.750 ( -10.577 4.582 -2.482) 11.791 3.990 ( 7.065 -8.923 2.474) 11.647 7.875 ( -0.254 -1.930 -0.488) 2.007 8.125 ( 6.961 7.896 -3.169) 10.993 9.328 ( -4.317 5.549 0.957) 7.096 10.996 ( 3.977 4.193 1.425) 5.952 11.182 ( -15.411 -2.055 -0.577) 15.558 11.737 ( 8.916 -6.011 0.245) 10.756 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -2.098 0.980 0.108) 2.318 2.673 ( 5.844 1.417 -2.564) 6.537 3.036 ( -11.713 0.838 -0.282) 11.747 3.428 ( 2.108 -7.853 -1.162) 8.214 3.596 ( -9.386 9.956 2.945) 13.996 4.052 ( 5.623 -4.259 0.331) 7.062 7.859 ( -0.526 0.449 0.427) 0.813 8.322 ( 8.645 5.367 -5.748) 11.687 9.169 ( -14.952 -2.816 0.687) 15.230 10.854 ( -15.934 -4.695 -1.310) 16.662 11.117 ( 1.522 6.240 5.330) 8.347 11.874 ( 10.934 -2.313 -1.514) 11.278 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -5.076 1.829 0.299) 5.404 2.780 ( 4.557 0.356 -2.273) 5.104 2.823 ( -10.632 -2.310 -1.099) 10.936 3.227 ( -9.980 -9.229 -2.116) 13.757 3.663 ( -0.488 8.428 5.181) 9.905 4.085 ( 0.778 0.346 -0.356) 0.923 7.848 ( -2.840 -1.197 0.560) 3.133 8.374 ( 1.385 -14.863 -5.761) 16.000 8.917 ( -13.223 11.812 -2.855) 17.959 10.569 ( -11.630 -4.639 1.297) 12.588 11.200 ( -1.756 6.419 6.915) 9.597 12.025 ( 8.853 -0.085 -3.155) 9.399 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 0.000 6.567 1.905) 6.838 2.280 ( -0.000 8.552 -1.475) 8.678 2.335 ( 0.000 5.830 4.180) 7.173 2.695 ( -0.000 -3.485 -9.658) 10.268 3.772 ( 0.000 5.844 2.797) 6.479 4.326 ( 0.000 15.852 3.508) 16.235 6.472 ( 0.000 1.963 2.289) 3.016 8.628 ( -0.000 4.822 -7.611) 9.010 9.158 ( 0.000 -4.140 4.405) 6.045 9.259 ( -0.000 13.908 -1.170) 13.957 11.342 ( 0.000 2.355 3.815) 4.483 12.498 ( -0.000 1.446 -3.802) 4.068 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -0.782 5.686 0.868) 5.804 2.423 ( 9.086 5.756 -2.757) 11.103 2.442 ( 3.620 5.443 3.720) 7.521 2.643 ( 0.682 -2.504 -5.690) 6.254 3.812 ( -1.628 3.476 2.319) 4.485 4.450 ( -3.011 12.604 1.790) 13.082 6.644 ( 16.806 1.361 1.200) 16.904 8.585 ( -7.882 1.000 -3.434) 8.655 8.924 ( -12.832 5.686 -1.909) 14.165 9.649 ( 21.141 5.225 2.662) 21.939 11.376 ( -0.877 2.882 4.068) 5.062 12.462 ( -4.487 1.329 -3.676) 5.951 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.236 4.590 0.736) 4.655 2.526 ( -0.061 1.866 -1.679) 2.511 2.628 ( 9.384 1.688 0.322) 9.540 2.722 ( 12.467 3.644 -1.262) 13.049 3.797 ( -3.402 0.789 1.939) 3.994 4.475 ( -6.528 8.428 0.113) 10.661 7.022 ( 25.314 -0.090 -0.045) 25.314 8.379 ( -13.722 -0.737 0.504) 13.751 8.867 ( -2.578 8.693 -4.511) 10.127 10.061 ( 20.752 5.194 2.889) 21.586 11.381 ( -2.247 0.297 4.255) 4.821 12.354 ( -8.397 1.296 -3.497) 9.188 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 0.808 2.901 0.623) 3.075 2.517 ( -0.951 0.959 -0.897) 1.622 2.807 ( 9.972 1.265 1.996) 10.248 3.019 ( 16.393 4.766 -2.185) 17.211 3.731 ( -4.299 -1.958 2.221) 5.220 4.397 ( -9.682 4.420 -1.248) 10.716 7.435 ( 22.711 -0.916 0.547) 22.736 8.166 ( -10.364 -0.009 -0.452) 10.374 8.957 ( 4.195 9.246 -2.261) 10.402 10.463 ( 18.958 6.833 1.427) 20.202 11.325 ( -3.245 -4.811 4.237) 7.185 12.184 ( -11.870 1.101 -3.159) 12.333 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 1.105 1.308 0.358) 1.749 2.521 ( -0.089 1.894 0.655) 2.006 2.994 ( 10.545 -0.024 1.909) 10.716 3.309 ( 10.763 6.687 -4.297) 13.380 3.647 ( -0.957 -5.723 3.966) 7.029 4.236 ( -11.925 1.421 -1.912) 12.160 7.738 ( 12.305 0.342 3.292) 12.743 8.044 ( -3.888 1.471 -2.115) 4.664 9.159 ( 9.781 6.786 -0.829) 11.934 10.826 ( 13.866 9.278 -0.992) 16.713 11.215 ( -1.029 -11.487 3.917) 12.180 11.961 ( -14.489 1.064 -2.272) 14.705 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 1.099 0.512 0.154) 1.222 2.555 ( 1.165 2.716 1.089) 3.149 3.161 ( 9.857 -3.309 1.332) 10.482 3.383 ( -7.131 5.514 -2.693) 9.408 3.707 ( 12.867 -5.300 2.018) 14.062 4.027 ( -12.901 0.767 -1.410) 13.001 7.856 ( 1.644 -0.152 1.339) 2.126 8.088 ( 4.451 6.063 0.855) 7.570 9.341 ( 5.973 -0.662 -0.428) 6.024 11.008 ( -2.396 3.252 -0.104) 4.041 11.183 ( 10.621 -8.957 -0.498) 13.902 11.740 ( -11.387 2.985 -0.079) 11.772 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 0.399 0.743 0.182) 0.863 2.617 ( 2.587 2.845 0.166) 3.849 3.176 ( -4.353 -7.314 -0.474) 8.524 3.327 ( 0.038 -0.589 0.500) 0.774 3.816 ( -4.047 -3.285 0.499) 5.236 3.908 ( 4.436 5.535 -0.744) 7.131 7.875 ( 0.688 1.663 -0.030) 1.800 8.230 ( 4.134 3.363 0.790) 5.387 9.298 ( -4.923 -8.145 -0.209) 9.520 10.934 ( -3.920 -8.081 -0.554) 8.999 11.221 ( -1.157 2.897 0.395) 3.144 11.727 ( 4.265 5.367 -0.097) 6.856 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -1.429 1.714 0.311) 2.253 2.694 ( 3.894 2.125 -1.752) 4.769 2.971 ( -10.024 -7.771 0.657) 12.700 3.241 ( -4.780 -9.937 -1.157) 11.087 3.774 ( -1.647 5.126 2.920) 6.125 4.050 ( 5.115 4.914 -1.153) 7.186 7.912 ( -1.693 4.184 0.835) 4.590 8.197 ( -1.789 -16.144 -2.756) 16.475 9.139 ( -5.633 2.145 -1.257) 6.157 10.700 ( -10.900 -10.757 0.344) 15.318 11.295 ( 1.577 8.059 3.888) 9.085 11.888 ( 7.743 4.726 -2.152) 9.323 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 0.000 4.048 0.223) 4.054 2.372 ( -0.000 4.049 -3.132) 5.119 2.478 ( 0.000 4.718 3.197) 5.699 2.606 ( -0.000 -1.488 -2.902) 3.261 3.863 ( 0.000 2.297 1.898) 2.980 4.591 ( 0.000 9.900 0.466) 9.911 6.517 ( 0.000 1.362 0.917) 1.642 8.654 ( -0.000 2.980 -6.861) 7.480 9.098 ( 0.000 -4.766 6.148) 7.779 9.486 ( 0.000 9.520 0.180) 9.522 11.430 ( 0.000 3.398 3.740) 5.053 12.501 ( -0.000 1.168 -3.592) 3.777 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -0.190 3.233 0.690) 3.311 2.475 ( 8.449 2.272 -2.366) 9.063 2.547 ( 1.457 3.075 0.845) 3.507 2.605 ( 3.234 -0.102 0.348) 3.255 3.862 ( -2.480 0.674 1.432) 2.942 4.636 ( -3.932 6.170 -0.901) 7.371 6.668 ( 15.907 0.509 0.073) 15.915 8.579 ( -9.726 0.630 -3.421) 10.330 8.988 ( -6.041 1.850 2.623) 6.841 9.765 ( 18.932 4.219 2.232) 19.525 11.448 ( -2.437 1.552 3.534) 4.565 12.464 ( -4.333 1.216 -3.434) 5.661 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 0.032 1.715 1.177) 2.081 2.557 ( -1.547 2.362 1.603) 3.246 2.644 ( 9.849 -0.378 -0.616) 9.876 2.775 ( 14.349 1.856 -0.407) 14.475 3.804 ( -4.657 -0.806 1.196) 4.875 4.575 ( -7.578 2.452 -2.069) 8.229 7.026 ( 24.662 0.254 0.731) 24.674 8.361 ( -13.174 -0.820 -1.242) 13.258 8.988 ( 0.066 5.395 1.439) 5.584 10.150 ( 22.030 1.598 1.568) 22.144 11.392 ( -5.481 -1.518 3.159) 6.506 12.359 ( -8.334 1.317 -3.105) 8.990 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 0.448 -0.098 1.003) 1.103 2.568 ( -1.430 3.620 3.379) 5.154 2.803 ( 10.746 -2.391 -0.085) 11.009 3.070 ( 17.894 1.557 -1.476) 18.022 3.702 ( -6.227 -1.941 1.382) 6.667 4.426 ( -10.180 -0.328 -2.702) 10.538 7.462 ( 23.485 1.890 3.973) 23.893 8.155 ( -9.270 -0.176 -1.694) 9.425 9.078 ( 4.287 3.558 1.602) 5.796 10.529 ( 22.087 -1.496 -0.507) 22.143 11.260 ( -7.962 -3.323 2.361) 8.944 12.194 ( -11.791 1.583 -2.343) 12.125 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 1.302 -1.160 0.520) 1.820 2.600 ( -1.032 4.664 4.073) 6.278 2.950 ( 10.551 -4.900 0.004) 11.633 3.374 ( 17.008 1.049 -2.677) 17.249 3.568 ( -7.299 -3.062 1.829) 8.123 4.227 ( -10.994 -1.101 -2.308) 11.287 7.803 ( 9.064 2.273 4.979) 10.588 8.088 ( 2.057 4.546 0.970) 5.083 9.179 ( 6.689 -4.680 0.211) 8.166 10.823 ( 17.791 -10.620 -1.519) 20.775 11.117 ( -6.060 2.378 -0.474) 6.527 11.995 ( -13.136 3.256 -0.518) 13.543 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 2.130 -1.189 0.046) 2.440 2.645 ( -0.596 5.009 3.427) 6.098 3.037 ( 6.753 -9.030 -0.531) 11.289 3.412 ( -7.099 -5.095 2.275) 9.030 3.629 ( 12.836 0.548 -4.013) 13.460 4.055 ( -7.877 2.027 -0.339) 8.141 7.864 ( 1.065 0.369 -0.481) 1.226 8.260 ( 2.358 8.177 7.399) 11.277 9.176 ( 4.486 -14.529 -0.841) 15.229 10.845 ( 3.125 -14.712 0.729) 15.058 11.170 ( 5.339 4.988 -6.077) 9.503 11.858 ( -8.173 7.455 2.118) 11.263 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 0.000 1.848 1.394) 2.315 2.412 ( -0.000 1.739 -2.582) 3.113 2.541 ( 0.000 0.615 0.339) 0.702 2.602 ( 0.000 1.378 1.924) 2.367 3.891 ( 0.000 -0.241 1.013) 1.041 4.710 ( -0.000 2.748 -2.017) 3.409 6.528 ( -0.000 -0.371 -1.024) 1.089 8.670 ( -0.000 2.458 -5.422) 5.953 9.071 ( 0.000 -1.795 7.915) 8.116 9.623 ( 0.000 3.769 1.750) 4.156 11.491 ( 0.000 0.184 3.060) 3.065 12.502 ( -0.000 1.190 -3.362) 3.566 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -0.269 -0.061 1.784) 1.805 2.481 ( 7.242 -0.313 -2.781) 7.764 2.596 ( 7.268 -0.485 -0.016) 7.284 2.622 ( -1.189 3.233 3.958) 5.247 3.862 ( -2.742 -1.298 0.632) 3.099 4.676 ( -4.129 -0.919 -3.017) 5.195 6.661 ( 16.621 -0.908 -1.144) 16.685 8.566 ( -11.404 0.079 -3.449) 11.914 9.066 ( -2.030 3.687 7.299) 8.425 9.816 ( 17.044 -0.681 1.942) 17.167 11.462 ( -3.300 -2.285 2.438) 4.696 12.468 ( -4.200 1.255 -3.149) 5.398 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -0.105 -2.368 1.380) 2.743 2.596 ( 9.487 -3.568 -2.574) 10.458 2.652 ( -1.517 4.743 5.817) 7.657 2.789 ( 14.922 0.054 -0.105) 14.923 3.783 ( -4.781 -1.981 0.372) 5.189 4.543 ( -7.194 -3.918 -3.643) 8.965 7.036 ( 27.290 0.083 1.043) 27.310 8.336 ( -12.891 -0.551 -2.379) 13.121 9.109 ( -1.292 4.263 7.332) 8.579 10.124 ( 21.141 -4.669 0.118) 21.651 11.357 ( -6.003 -3.660 1.376) 7.164 12.367 ( -8.025 1.354 -2.620) 8.549 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 1.010 -3.792 0.827) 4.010 2.696 ( -1.720 5.840 6.952) 9.240 2.715 ( 10.504 -5.664 -2.129) 12.122 3.061 ( 17.451 -1.801 -0.441) 17.549 3.671 ( -6.098 -1.878 -0.238) 6.385 4.351 ( -8.370 -5.324 -3.484) 10.514 7.538 ( 27.284 2.649 4.566) 27.790 8.149 ( -7.012 0.690 -1.326) 7.170 9.114 ( -2.572 -2.725 5.746) 6.859 10.406 ( 19.409 -8.798 -1.521) 21.364 11.222 ( -5.850 -1.851 -0.817) 6.190 12.218 ( -10.440 2.162 -1.293) 10.740 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 2.659 -4.085 0.287) 4.882 2.744 ( -2.273 6.727 5.810) 9.175 2.811 ( 9.163 -8.859 -1.003) 12.784 3.285 ( 11.821 -8.804 1.333) 14.800 3.571 ( -2.671 2.549 -3.299) 4.951 4.164 ( -6.415 -3.886 -2.049) 7.775 7.848 ( 3.067 0.744 0.247) 3.166 8.249 ( 13.797 8.053 8.362) 18.031 8.978 ( -3.281 -16.299 1.082) 16.662 10.571 ( 11.874 -11.356 -1.072) 16.465 11.153 ( -0.390 1.131 -4.942) 5.085 12.077 ( -9.382 4.697 1.101) 10.549 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 0.000 -2.134 1.933) 2.879 2.399 ( -0.000 -1.648 -3.829) 4.169 2.515 ( -0.000 -2.729 -0.197) 2.736 2.691 ( 0.000 5.503 5.807) 8.000 3.868 ( 0.000 -2.476 0.134) 2.479 4.673 ( -0.000 -4.723 -3.852) 6.095 6.492 ( -0.000 -2.062 -2.560) 3.287 8.669 ( -0.000 0.409 -4.897) 4.914 9.151 ( 0.000 4.316 10.976) 11.794 9.648 ( 0.000 -2.762 2.797) 3.931 11.463 ( 0.000 -4.647 1.614) 4.919 12.506 ( -0.000 1.270 -3.112) 3.362 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -0.632 -4.721 1.289) 4.935 2.410 ( 6.042 -4.979 -4.806) 9.187 2.562 ( 8.592 -2.560 0.960) 9.016 2.767 ( -0.815 7.510 7.162) 10.410 3.818 ( -2.371 -3.534 -0.299) 4.267 4.564 ( -3.640 -8.114 -4.424) 9.933 6.622 ( 18.474 -1.943 -1.947) 18.678 8.539 ( -11.655 -0.427 -3.986) 12.326 9.222 ( -2.314 5.337 12.427) 13.721 9.760 ( 15.364 -5.722 1.564) 16.469 11.386 ( -2.838 -6.276 0.393) 6.899 12.474 ( -4.098 1.240 -2.868) 5.154 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 0.387 -6.722 0.766) 6.777 2.469 ( 9.602 -7.428 -3.936) 12.762 2.726 ( 11.253 -2.210 2.804) 11.806 2.861 ( 1.439 7.611 5.938) 9.760 3.724 ( -3.843 -4.121 -0.910) 5.708 4.380 ( -5.453 -10.203 -4.482) 12.406 7.039 ( 31.293 -0.262 0.471) 31.298 8.314 ( -12.099 -0.014 -2.485) 12.352 9.208 ( -6.692 -2.365 11.467) 13.486 10.009 ( 18.923 -5.058 0.305) 19.590 11.263 ( -3.951 -5.902 -1.630) 7.287 12.380 ( -7.311 1.467 -2.025) 7.727 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 2.494 -7.480 0.435) 7.897 2.551 ( 10.430 -9.487 -2.685) 14.353 2.858 ( 1.632 3.922 6.761) 7.985 3.012 ( 10.058 -1.562 1.816) 10.339 3.616 ( -3.370 -3.128 -2.390) 5.182 4.180 ( -4.356 -9.912 -3.646) 11.424 7.603 ( 30.145 1.938 1.656) 30.253 8.165 ( -2.760 0.752 1.355) 3.165 8.996 ( -12.069 -14.879 6.836) 20.341 10.269 ( 15.183 -2.459 0.988) 15.412 11.145 ( -2.365 -4.838 -4.876) 7.265 12.262 ( -8.100 2.692 -0.183) 8.537 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.000 -6.684 0.869) 6.740 2.274 ( -0.000 -7.902 -6.639) 10.320 2.461 ( 0.000 -3.000 1.488) 3.349 2.878 ( 0.000 8.853 8.379) 12.190 3.792 ( -0.000 -5.350 -0.911) 5.427 4.481 ( -0.000 -12.121 -4.859) 13.059 6.426 ( -0.000 -2.606 -3.009) 3.980 8.631 ( -0.000 -0.721 -5.553) 5.600 9.357 ( 0.000 7.527 15.700) 17.411 9.548 ( 0.000 -9.223 2.846) 9.652 11.338 ( -0.000 -7.952 -0.985) 8.013 12.511 ( -0.000 1.161 -2.992) 3.210 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -0.731 -9.286 -0.221) 9.317 2.229 ( 6.770 -9.850 -5.942) 13.348 2.514 ( 8.672 -3.331 1.859) 9.473 2.987 ( -1.086 9.761 8.593) 13.050 3.713 ( -1.657 -6.830 -1.575) 7.203 4.309 ( -2.482 -15.029 -4.933) 16.011 6.572 ( 20.468 -1.718 -2.001) 20.637 8.505 ( -10.466 -0.216 -4.497) 11.393 9.320 ( -7.667 -7.925 11.629) 16.026 9.695 ( 16.169 0.584 6.883) 17.583 11.238 ( -1.907 -7.465 -3.029) 8.279 12.480 ( -3.815 1.126 -2.676) 4.794 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 1.592 -10.841 -0.138) 10.958 2.261 ( 10.536 -11.161 -4.453) 15.982 2.668 ( 12.514 -4.658 1.956) 13.495 3.079 ( -2.329 9.524 8.120) 12.731 3.603 ( -2.004 -7.435 -2.697) 8.159 4.097 ( -2.321 -15.827 -4.550) 16.631 7.037 ( 34.435 0.289 -0.313) 34.438 8.306 ( -11.026 0.429 -1.401) 11.123 9.053 ( -11.414 -19.962 7.307) 24.127 10.028 ( 16.498 4.436 7.958) 18.847 11.116 ( -3.055 -6.234 -6.041) 9.202 12.399 ( -6.049 1.536 -1.438) 6.404 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -0.000 -12.904 -7.750) 15.052 2.030 ( -0.000 -10.930 -0.689) 10.952 2.411 ( 0.000 -3.465 2.394) 4.212 3.123 ( 0.000 10.451 8.843) 13.690 3.642 ( -0.000 -9.271 -2.314) 9.556 4.147 ( -0.000 -18.943 -4.817) 19.546 6.366 ( -0.000 -1.534 -2.347) 2.804 8.578 ( -0.000 -1.005 -6.217) 6.298 9.328 ( 0.000 -14.699 1.862) 14.817 9.588 ( 0.000 2.899 20.994) 21.193 11.177 ( -0.000 -5.281 -4.926) 7.222 12.513 ( -0.000 0.944 -3.031) 3.174 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.753 -14.062 -2.952) 14.388 1.970 ( 7.252 -12.993 -4.916) 15.671 2.455 ( 7.903 -4.048 2.458) 9.213 3.238 ( -1.641 10.204 8.777) 13.559 3.525 ( -0.729 -11.021 -3.530) 11.596 3.928 ( -0.676 -20.824 -4.459) 21.306 6.542 ( 22.030 0.043 -1.349) 22.072 8.475 ( -7.990 -0.092 -4.566) 9.203 9.053 ( -11.524 -21.515 4.554) 24.828 9.822 ( 15.755 0.041 17.196) 23.322 11.107 ( -2.740 -1.042 -7.183) 7.758 12.484 ( -3.247 0.934 -2.582) 4.252 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -0.000 -16.015 -7.483) 17.677 1.768 ( -0.000 -14.912 -2.593) 15.136 2.356 ( 0.000 -3.796 3.077) 4.887 3.361 ( 0.000 -3.104 8.106) 8.680 3.412 ( -0.000 -1.331 -3.967) 4.185 3.701 ( -0.000 -23.455 -3.771) 23.756 6.348 ( -0.000 0.887 -1.068) 1.388 8.506 ( -0.000 -3.092 -6.143) 6.877 9.009 ( 0.000 -18.460 0.194) 18.461 9.664 ( 0.000 -9.941 23.626) 25.633 11.138 ( -0.000 6.350 -7.511) 9.836 12.510 ( -0.000 0.634 -3.202) 3.265 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.000 -0.000 18.835) 18.835 0.537 ( 0.000 -0.000 18.835) 18.835 1.121 ( 0.000 -0.000 38.772) 38.772 2.105 ( -0.000 0.000 -5.462) 5.462 2.105 ( -0.000 0.000 -5.462) 5.462 4.502 ( -0.000 0.000 -10.021) 10.021 6.932 ( -0.000 0.000 -3.752) 3.752 6.932 ( -0.000 0.000 -3.752) 3.752 7.417 ( 0.000 -0.000 2.982) 2.982 7.417 ( 0.000 -0.000 2.982) 2.982 12.309 ( 0.000 -0.000 1.572) 1.572 12.351 ( 0.000 -0.000 1.438) 1.438 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 5.673 3.275 16.415) 17.673 0.774 ( 7.578 4.375 20.112) 21.933 1.416 ( 17.082 9.862 28.130) 34.357 2.143 ( 2.898 1.673 -4.619) 5.704 2.145 ( 6.922 3.996 -6.246) 10.144 4.174 ( -13.770 -7.950 -2.057) 16.033 6.876 ( -6.712 -3.875 -1.945) 7.990 7.079 ( 14.821 8.557 -6.300) 18.237 7.488 ( 9.496 5.482 0.915) 11.003 8.391 ( 51.780 29.895 -22.205) 63.780 12.136 ( -13.963 -8.061 2.258) 16.280 12.353 ( -0.387 -0.224 0.264) 0.519 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 10.347 5.974 13.198) 17.802 0.966 ( 5.296 3.058 20.361) 21.259 1.976 ( 24.834 14.338 12.785) 31.397 2.204 ( 3.625 2.093 -3.518) 5.468 2.362 ( 13.247 7.648 -4.121) 15.841 3.953 ( -6.298 -3.636 -3.473) 8.059 6.698 ( -7.764 -4.482 -0.646) 8.988 7.446 ( 18.252 10.538 -7.102) 22.240 7.774 ( 14.956 8.635 -0.121) 17.270 9.254 ( 31.683 18.292 -9.942) 37.911 11.772 ( -17.825 -10.291 -0.656) 20.593 12.334 ( -1.008 -0.582 -1.457) 1.865 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 12.137 7.007 10.909) 17.760 1.174 ( 8.718 5.033 14.179) 17.389 2.280 ( 3.923 2.265 -2.413) 5.132 2.521 ( 20.089 11.598 -3.894) 23.521 2.700 ( 17.165 9.910 5.043) 20.451 3.851 ( -1.884 -1.088 -1.516) 2.652 6.544 ( -5.698 -3.290 0.383) 6.591 7.802 ( 14.688 8.480 -7.315) 18.471 8.140 ( 17.494 10.100 -0.484) 20.206 9.845 ( 23.382 13.500 1.022) 27.019 11.355 ( -18.417 -10.633 -2.995) 21.476 12.304 ( -0.962 -0.555 -2.634) 2.858 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 11.474 6.624 7.958) 15.455 1.464 ( 12.106 6.989 9.058) 16.656 2.362 ( 3.791 2.189 -1.474) 4.619 2.813 ( 9.201 5.312 -12.101) 16.103 3.135 ( 17.740 10.242 7.230) 21.722 3.879 ( 4.531 2.616 2.867) 5.966 6.450 ( -2.969 -1.714 1.546) 3.760 8.048 ( 9.026 5.211 -5.410) 11.743 8.545 ( 18.461 10.659 -0.892) 21.336 10.315 ( 17.200 9.930 -4.181) 20.296 10.959 ( -14.856 -8.577 3.423) 17.492 12.278 ( -0.657 -0.379 -2.827) 2.927 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 12.180 7.032 3.474) 14.487 1.748 ( 10.782 6.225 7.347) 14.456 2.438 ( 3.213 1.855 -0.742) 3.784 2.891 ( 1.803 1.041 -11.822) 12.004 3.501 ( 13.165 7.601 4.428) 15.833 4.057 ( 9.266 5.350 5.063) 11.837 6.417 ( -0.701 -0.405 2.578) 2.702 8.190 ( 5.192 2.998 -2.303) 6.422 8.950 ( 17.608 10.166 -1.471) 20.385 10.340 ( -10.751 -6.207 -20.975) 24.373 10.965 ( 11.793 6.809 17.230) 21.962 12.257 ( -0.519 -0.299 -1.864) 1.957 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 8.531 4.925 5.848) 11.456 1.996 ( 11.200 6.466 0.504) 12.943 2.498 ( 2.194 1.267 -0.174) 2.540 2.857 ( -1.273 -0.735 -9.744) 9.855 3.754 ( 8.488 4.901 2.349) 10.079 4.281 ( 8.628 4.981 5.117) 11.200 6.425 ( 0.385 0.222 3.117) 3.148 8.288 ( 4.177 2.412 0.443) 4.844 9.311 ( 14.712 8.494 -2.118) 17.120 9.983 ( -13.895 -8.022 -16.022) 22.675 11.311 ( 13.333 7.698 8.200) 17.443 12.244 ( -0.430 -0.248 0.305) 0.583 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 5.587 3.225 4.758) 8.016 2.220 ( 8.663 5.002 -1.400) 10.101 2.533 ( 0.844 0.487 0.228) 1.001 2.796 ( -1.408 -0.813 -7.485) 7.660 3.898 ( 4.042 2.333 0.079) 4.667 4.458 ( 5.391 3.113 5.358) 8.214 6.443 ( 0.165 0.095 3.050) 3.056 8.390 ( 4.460 2.575 2.226) 5.611 9.583 ( 9.933 5.735 -2.664) 11.774 9.658 ( -10.450 -6.033 -12.581) 17.432 11.570 ( 7.870 4.544 0.614) 9.108 12.247 ( 0.440 0.254 3.723) 3.757 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 1.852 1.069 4.313) 4.814 2.356 ( 3.435 1.983 -2.607) 4.747 2.538 ( -0.442 -0.255 0.270) 0.577 2.771 ( 1.550 0.895 -5.357) 5.648 3.942 ( 0.274 0.158 -1.829) 1.856 4.549 ( 1.047 0.604 5.697) 5.824 6.444 ( -0.863 -0.498 2.586) 2.772 8.488 ( 3.077 1.776 3.301) 4.850 9.466 ( -2.937 -1.696 -10.339) 10.881 9.731 ( 3.846 2.221 -2.947) 5.330 11.651 ( -0.143 -0.083 -4.367) 4.370 12.293 ( 2.114 1.221 6.435) 6.882 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -2.938 -1.696 4.677) 5.778 2.349 ( -3.047 -1.759 -2.673) 4.419 2.519 ( -1.104 -0.638 -0.324) 1.316 2.844 ( 5.972 3.448 -3.996) 7.970 3.905 ( -2.830 -1.634 -2.593) 4.172 4.533 ( -4.152 -2.397 5.482) 7.283 6.420 ( -1.847 -1.067 2.071) 2.973 8.532 ( -0.215 -0.124 4.373) 4.380 9.477 ( 6.410 3.701 -10.470) 12.822 9.735 ( -2.669 -1.541 -2.850) 4.197 11.553 ( -6.862 -3.962 -4.674) 9.200 12.367 ( 2.371 1.369 6.402) 6.963 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -7.746 -4.472 5.428) 10.462 2.224 ( -7.154 -4.130 -1.471) 8.390 2.486 ( -1.721 -0.994 -1.229) 2.337 2.995 ( 8.208 4.739 -3.643) 10.154 3.801 ( -5.795 -3.346 -2.034) 6.994 4.390 ( -10.034 -5.793 4.583) 12.460 6.380 ( -2.024 -1.169 1.719) 2.901 8.525 ( -1.258 -0.727 5.627) 5.811 9.598 ( -8.641 -4.989 -2.321) 10.244 9.644 ( 10.491 6.057 -14.138) 18.619 11.340 ( -10.463 -6.041 -1.439) 12.167 12.431 ( 1.736 1.003 5.442) 5.800 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -11.487 -6.632 6.301) 14.684 2.025 ( -10.300 -5.947 0.322) 11.898 2.432 ( -2.634 -1.521 -2.140) 3.719 3.183 ( 9.492 5.480 -4.074) 11.693 3.631 ( -9.074 -5.239 -0.206) 10.480 4.108 ( -16.077 -9.282 3.407) 18.874 6.348 ( -1.084 -0.626 1.470) 1.930 8.519 ( -0.974 -0.562 6.471) 6.568 9.344 ( -13.239 -7.643 -1.391) 15.350 9.783 ( 4.677 2.700 -21.049) 21.731 11.132 ( -6.662 -3.847 4.776) 9.055 12.479 ( 1.147 0.662 4.423) 4.617 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.000 9.882 17.350) 19.967 0.813 ( 0.000 14.796 15.412) 21.365 1.483 ( 0.000 14.288 30.735) 33.894 2.039 ( -0.000 -0.507 -7.101) 7.119 2.206 ( -0.000 11.152 -5.133) 12.276 4.172 ( -0.000 -15.565 -3.758) 16.013 6.763 ( -0.000 -8.738 -2.691) 9.143 7.032 ( -0.000 12.007 -4.307) 12.756 7.645 ( 0.000 14.078 2.168) 14.244 8.217 ( -0.000 51.030 -19.275) 54.549 12.183 ( 0.000 -11.204 1.480) 11.302 12.366 ( 0.000 0.905 0.027) 0.905 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.814 14.492 14.193) 20.301 1.029 ( 1.844 8.409 19.449) 21.269 1.855 ( 13.403 19.842 16.913) 29.316 2.092 ( 7.668 0.874 -4.916) 9.151 2.334 ( 2.928 13.960 -4.393) 14.925 3.980 ( -4.674 -8.463 -4.369) 10.609 6.933 ( 26.955 -9.816 -3.500) 28.900 6.977 ( -17.297 14.824 -3.241) 23.010 7.832 ( 3.634 19.227 -0.381) 19.571 8.879 ( 29.415 26.283 -12.845) 41.485 11.953 ( -13.066 -10.909 0.388) 17.026 12.355 ( -1.828 0.732 -1.285) 2.351 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 4.912 15.914 11.192) 20.066 1.189 ( 2.695 7.268 18.085) 19.676 2.205 ( 8.125 3.336 -4.753) 9.987 2.362 ( 14.279 17.904 1.485) 22.948 2.575 ( 11.152 13.480 2.916) 17.736 3.850 ( -1.835 -4.191 -3.321) 5.654 6.807 ( -17.908 14.874 -1.339) 23.318 7.350 ( 31.988 -7.279 -5.008) 33.186 8.089 ( 6.102 15.686 -1.034) 16.863 9.535 ( 27.883 14.098 -3.465) 31.436 11.583 ( -18.465 -8.429 -0.991) 20.322 12.319 ( -2.064 0.155 -2.340) 3.124 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 6.586 8.269 11.026) 15.275 1.461 ( 6.305 16.128 10.585) 20.296 2.333 ( 4.268 5.069 -2.859) 7.217 2.680 ( 9.597 9.541 -11.496) 17.757 2.978 ( 16.293 12.953 8.686) 22.554 3.830 ( 3.147 -0.281 0.476) 3.196 6.674 ( -14.832 15.350 0.043) 21.346 7.789 ( 25.611 -1.455 -5.764) 26.292 8.334 ( 11.011 6.507 0.121) 12.791 10.065 ( 21.986 9.098 -3.135) 24.000 11.199 ( -18.432 -4.420 1.708) 19.032 12.280 ( -1.384 -0.454 -2.759) 3.120 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 9.280 8.361 6.016) 13.865 1.750 ( 5.705 15.747 8.605) 18.830 2.435 ( 2.137 6.300 -1.990) 6.944 2.815 ( 4.341 2.376 -12.259) 13.220 3.365 ( 13.761 9.165 5.629) 17.466 3.957 ( 8.801 3.219 3.719) 10.082 6.607 ( -11.572 15.939 1.261) 19.737 8.100 ( 11.026 3.999 -3.511) 12.243 8.623 ( 21.451 -2.359 -0.820) 21.596 10.338 ( 3.424 1.258 -16.896) 17.285 10.998 ( -3.645 5.040 14.372) 15.660 12.248 ( -0.403 -1.280 -2.141) 2.527 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 10.002 7.588 2.288) 12.761 2.004 ( 3.962 14.538 6.855) 16.554 2.514 ( 0.544 6.396 -1.429) 6.577 2.822 ( 0.649 -0.994 -10.479) 10.546 3.651 ( 10.194 5.216 3.390) 11.942 4.172 ( 10.398 3.262 4.411) 11.757 6.595 ( -9.355 16.309 2.029) 18.911 8.246 ( 4.045 3.335 0.494) 5.266 8.969 ( 23.738 -6.089 -4.355) 24.890 10.165 ( -13.315 1.610 -15.824) 20.743 11.209 ( 10.401 8.061 11.152) 17.249 12.229 ( 0.551 -2.195 -0.284) 2.281 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 9.002 6.074 -0.281) 10.863 2.202 ( 1.575 12.664 5.379) 13.849 2.567 ( -0.890 5.686 -0.919) 5.828 2.777 ( -0.630 -1.450 -8.140) 8.292 3.830 ( 6.274 1.751 1.078) 6.602 4.372 ( 8.697 1.097 4.807) 9.998 6.611 ( -8.700 16.392 2.198) 18.687 8.335 ( 3.904 0.692 2.858) 4.888 9.226 ( 17.774 -11.047 -8.587) 22.621 9.946 ( -13.491 10.938 -8.516) 19.343 11.469 ( 9.271 4.529 2.986) 10.742 12.227 ( 1.751 -2.614 2.827) 4.230 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 5.936 3.484 -1.958) 7.156 2.331 ( -1.392 10.109 4.282) 11.066 2.590 ( -2.161 5.152 -0.263) 5.593 2.738 ( 0.233 -0.311 -6.200) 6.213 3.907 ( 2.672 -1.010 -1.137) 3.074 4.506 ( 5.319 -1.600 5.476) 7.800 6.625 ( -9.477 16.347 1.949) 18.996 8.410 ( 5.085 -3.235 3.682) 7.062 9.300 ( 8.823 -10.150 -11.107) 17.443 9.886 ( -8.385 15.611 -3.036) 17.979 11.600 ( 3.825 -0.709 -3.184) 5.027 12.261 ( 3.454 -2.109 5.856) 7.118 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -0.065 -0.760 -2.773) 2.876 2.374 ( -4.863 6.869 4.036) 9.334 2.595 ( -3.947 6.225 0.116) 7.372 2.764 ( 4.585 1.597 -5.085) 7.031 3.901 ( -0.244 -2.916 -2.306) 3.726 4.546 ( 0.646 -4.369 5.742) 7.244 6.618 ( -10.927 16.355 1.639) 19.737 8.455 ( 4.905 -7.527 3.806) 9.757 9.338 ( 7.835 -1.778 -10.601) 13.302 9.878 ( -8.769 11.667 -1.886) 14.716 11.569 ( -2.179 -5.187 -4.875) 7.444 12.329 ( 4.221 -1.774 6.329) 7.812 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -5.296 -3.235 -1.570) 6.402 2.322 ( -8.491 3.112 4.044) 9.907 2.576 ( -5.646 6.674 -0.631) 8.765 2.883 ( 8.006 3.192 -4.786) 9.858 3.832 ( -2.949 -4.263 -2.008) 5.559 4.471 ( -5.125 -7.080 5.327) 10.236 6.589 ( -11.998 16.648 1.509) 20.576 8.461 ( 4.267 -8.883 4.196) 10.711 9.454 ( 8.846 0.036 -11.461) 14.478 9.795 ( -11.155 8.947 -2.246) 14.475 11.415 ( -6.742 -7.380 -2.780) 10.376 12.397 ( 3.778 -1.975 5.269) 6.778 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -9.173 -4.986 0.398) 10.448 2.180 ( -12.019 0.987 4.422) 12.845 2.530 ( -6.805 5.934 -1.578) 9.166 3.053 ( 9.612 4.035 -5.509) 11.791 3.707 ( -5.987 -5.406 -0.268) 8.071 4.265 ( -11.609 -9.524 4.546) 15.690 6.555 ( -12.012 17.525 1.508) 21.300 8.463 ( 4.310 -8.051 4.630) 10.239 9.406 ( -6.677 -11.529 -6.742) 14.932 9.780 ( -1.025 14.230 -11.213) 18.146 11.213 ( -7.532 -6.751 2.166) 10.345 12.449 ( 3.106 -2.167 3.997) 5.507 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.000 12.971 15.452) 20.174 1.176 ( 0.000 12.260 15.447) 19.721 2.008 ( -0.000 1.945 -7.168) 7.427 2.029 ( 0.000 25.510 16.776) 30.532 2.446 ( -0.000 15.706 -4.547) 16.351 3.913 ( -0.000 -9.181 -4.892) 10.403 6.594 ( -0.000 -7.090 -1.050) 7.167 7.356 ( -0.000 23.263 -6.217) 24.079 7.955 ( 0.000 16.506 0.580) 16.516 8.828 ( -0.000 22.918 -7.442) 24.096 11.942 ( -0.000 -13.285 -0.608) 13.299 12.385 ( -0.000 1.895 -2.651) 3.258 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 2.656 15.073 13.875) 20.658 1.319 ( -1.404 10.332 14.666) 17.994 2.081 ( 7.542 3.997 -6.177) 10.537 2.392 ( 6.969 23.908 4.711) 25.345 2.612 ( 3.283 16.222 0.094) 16.551 3.811 ( -0.791 -5.875 -3.676) 6.975 6.752 ( 24.533 -7.015 -1.401) 25.555 7.353 ( -21.216 24.800 -4.859) 32.997 8.160 ( 3.242 15.000 -0.906) 15.374 9.217 ( 22.970 13.506 -1.328) 26.679 11.729 ( -9.439 -11.555 -1.168) 14.966 12.366 ( -3.005 1.866 -3.444) 4.937 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 0.940 9.732 11.832) 15.349 1.574 ( 5.007 17.189 11.157) 21.095 2.260 ( 9.062 5.344 -4.214) 11.333 2.645 ( 3.433 13.303 -11.624) 17.996 2.925 ( 10.361 17.925 9.233) 22.669 3.775 ( 2.121 -1.528 -0.251) 2.626 7.167 ( 9.264 6.263 0.305) 11.187 7.230 ( 2.164 13.556 -6.094) 15.020 8.311 ( 1.838 7.889 -0.269) 8.105 9.745 ( 24.954 8.529 -0.548) 26.377 11.434 ( -13.650 -6.506 0.474) 15.129 12.311 ( -3.509 0.944 -3.663) 5.160 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 4.701 9.637 7.685) 13.192 1.864 ( 4.987 17.925 9.096) 20.710 2.439 ( 5.695 7.495 -3.214) 9.946 2.743 ( 2.720 4.630 -12.935) 14.006 3.281 ( 10.286 13.034 6.274) 17.750 3.860 ( 6.700 2.502 3.019) 7.763 7.085 ( -19.582 25.587 -0.789) 32.230 7.724 ( 32.775 -1.771 -4.783) 33.169 8.389 ( 3.448 -0.190 0.684) 3.520 10.153 ( 15.852 3.603 -6.667) 17.571 11.203 ( -10.110 1.454 6.874) 12.311 12.250 ( -2.506 -0.699 -3.306) 4.207 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 7.039 8.750 4.087) 11.951 2.133 ( 3.307 17.526 7.212) 19.238 2.572 ( 1.564 9.151 -3.528) 9.931 2.760 ( 1.716 -0.337 -10.442) 10.588 3.557 ( 8.794 7.397 4.067) 12.190 4.041 ( 9.435 2.845 3.781) 10.555 7.030 ( -16.438 25.557 -0.030) 30.387 8.173 ( 16.190 5.265 -2.383) 17.191 8.472 ( 16.159 -10.692 -2.470) 19.533 10.269 ( -0.587 2.035 -11.493) 11.687 11.215 ( 2.064 7.424 11.253) 13.638 12.196 ( -0.743 -2.812 -1.981) 3.519 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 7.600 7.028 1.201) 10.421 2.353 ( 0.843 16.214 5.549) 17.158 2.639 ( -0.930 6.026 -5.262) 8.054 2.755 ( 0.232 2.102 -5.632) 6.016 3.744 ( 6.414 2.732 2.003) 7.254 4.232 ( 9.615 0.108 3.929) 10.387 7.022 ( -14.112 25.204 0.019) 28.886 8.310 ( 0.706 0.843 3.037) 3.230 8.738 ( 24.646 -9.874 -9.077) 28.059 10.205 ( -7.364 8.792 -7.141) 13.510 11.393 ( 6.244 5.274 5.845) 10.048 12.164 ( 1.636 -4.705 0.773) 5.041 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 6.371 4.454 -1.028) 7.841 2.506 ( -1.999 13.838 3.909) 14.518 2.644 ( -0.093 1.740 -4.924) 5.224 2.771 ( -2.860 7.512 -2.617) 8.454 3.838 ( 3.537 -1.015 -0.456) 3.708 4.382 ( 8.134 -3.096 4.742) 9.911 7.038 ( -13.292 25.261 -0.496) 28.548 8.313 ( 2.086 -5.990 3.272) 7.137 8.976 ( 15.848 -5.419 -9.457) 19.234 10.181 ( -7.901 15.253 -2.558) 17.367 11.515 ( 3.873 -0.420 -1.134) 4.057 12.173 ( 4.398 -5.286 4.307) 8.114 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 2.518 0.790 -2.406) 3.571 2.573 ( -5.385 10.547 2.712) 12.149 2.668 ( 2.680 2.384 -3.566) 5.058 2.783 ( -5.018 9.832 -1.397) 11.126 3.849 ( 1.342 -3.715 -2.143) 4.494 4.466 ( 4.855 -5.796 5.424) 9.305 7.055 ( -14.163 25.931 -0.989) 29.563 8.295 ( 4.183 -10.008 3.044) 11.266 9.132 ( 10.459 -1.087 -8.379) 13.445 10.187 ( -10.272 16.388 -0.499) 19.348 11.508 ( 0.504 -6.099 -4.555) 7.629 12.229 ( 5.939 -5.009 5.679) 9.623 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -2.354 -2.044 -2.247) 3.843 2.544 ( -9.367 7.699 2.756) 12.434 2.764 ( 7.073 2.076 -4.900) 8.852 2.782 ( -7.410 11.929 -0.072) 14.043 3.806 ( -0.368 -5.326 -2.197) 5.773 4.458 ( -0.065 -7.958 5.386) 9.609 7.055 ( -15.854 26.864 -0.917) 31.207 8.284 ( 5.449 -10.559 2.918) 12.235 9.264 ( 8.916 -0.735 -8.781) 12.536 10.126 ( -14.294 13.876 0.040) 19.921 11.403 ( -2.379 -8.615 -3.591) 9.632 12.298 ( 5.859 -4.912 4.760) 9.007 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -6.455 -3.305 -1.271) 7.362 2.434 ( -12.146 5.273 3.456) 13.685 2.746 ( -8.972 10.147 -1.532) 13.631 2.913 ( 8.568 3.572 -5.121) 10.601 3.722 ( -2.516 -5.942 -0.548) 6.476 4.337 ( -6.145 -9.522 4.825) 12.317 7.042 ( -16.966 28.129 -0.294) 32.851 8.291 ( 5.823 -9.471 2.488) 11.393 9.308 ( 2.209 -8.600 -9.872) 13.278 10.017 ( -11.821 13.808 -1.626) 18.250 11.254 ( -4.838 -7.774 0.406) 9.166 12.356 ( 5.192 -4.742 3.183) 7.719 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 14.122 12.950) 19.160 1.486 ( 0.000 10.795 13.142) 17.007 2.030 ( -0.000 4.457 -5.713) 7.246 2.584 ( -0.000 22.051 -4.931) 22.596 2.760 ( 0.000 19.621 5.297) 20.323 3.754 ( -0.000 -4.242 -2.050) 4.711 6.481 ( 0.000 -4.235 0.474) 4.262 7.800 ( -0.000 25.353 -7.785) 26.522 8.287 ( -0.000 17.620 -0.865) 17.642 9.105 ( 0.000 8.009 4.173) 9.031 11.677 ( -0.000 -12.759 -1.585) 12.857 12.406 ( -0.000 2.583 -4.536) 5.219 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -2.409 10.242 10.512) 14.873 1.679 ( 4.448 14.733 11.038) 18.939 2.142 ( 8.370 5.550 -4.168) 10.873 2.713 ( -0.224 11.607 -13.882) 18.097 3.035 ( 3.793 22.547 8.511) 24.396 3.740 ( 1.196 0.415 1.344) 1.846 6.645 ( 22.125 -3.559 0.139) 22.410 7.830 ( -19.487 26.712 -6.418) 33.682 8.404 ( -3.213 10.458 -0.425) 10.949 9.413 ( 22.504 6.169 4.306) 23.728 11.510 ( -5.244 -9.692 -0.647) 11.039 12.383 ( -3.740 2.465 -4.762) 6.537 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.145 10.028 7.502) 12.525 1.954 ( 6.706 15.162 9.052) 18.889 2.354 ( 10.352 6.450 -3.388) 12.659 2.739 ( -0.679 4.970 -14.104) 14.969 3.324 ( 4.404 17.082 5.406) 18.451 3.817 ( 3.610 5.080 4.004) 7.408 7.094 ( 33.383 -3.079 -1.356) 33.552 7.714 ( -22.575 27.741 -3.929) 35.981 8.411 ( -2.859 2.923 -0.124) 4.091 9.860 ( 21.423 3.694 0.379) 21.742 11.347 ( -5.818 -3.322 2.892) 7.297 12.309 ( -5.288 1.417 -4.510) 7.093 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 3.276 9.276 4.858) 10.972 2.235 ( 6.109 14.414 6.769) 17.056 2.576 ( 8.119 8.650 -3.655) 12.413 2.714 ( -0.511 0.827 -11.028) 11.071 3.543 ( 4.330 10.214 3.575) 11.656 3.963 ( 5.269 5.675 3.995) 8.714 7.598 ( -16.370 24.715 0.190) 29.645 7.656 ( 31.548 -1.062 -5.583) 32.056 8.377 ( -2.520 0.095 -0.553) 2.582 10.161 ( 11.636 1.667 -3.814) 12.358 11.302 ( -1.060 3.249 7.500) 8.241 12.213 ( -4.819 -0.791 -3.882) 6.239 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 4.996 7.621 2.385) 9.419 2.464 ( 4.098 10.645 2.538) 11.685 2.677 ( -1.122 3.518 -6.234) 7.246 2.773 ( 4.439 9.467 -2.643) 10.785 3.696 ( 4.167 4.661 2.443) 6.712 4.109 ( 6.084 1.898 3.078) 7.077 7.530 ( -16.794 24.177 -1.345) 29.468 8.159 ( 28.522 -9.583 -6.831) 30.855 8.352 ( 0.081 6.241 1.303) 6.376 10.293 ( 3.008 5.411 -4.059) 7.403 11.394 ( 2.975 4.678 7.442) 9.280 12.116 ( -2.448 -4.009 -2.305) 5.232 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 5.143 5.223 0.157) 7.332 2.559 ( 1.996 0.516 -5.136) 5.535 2.732 ( -1.040 11.666 2.885) 12.062 2.902 ( -0.747 11.903 -2.153) 12.119 3.783 ( 2.399 0.581 0.343) 2.492 4.225 ( 7.286 -3.104 3.432) 8.632 7.501 ( -13.041 22.891 -2.540) 26.467 8.215 ( 2.879 -10.740 -2.343) 11.363 8.660 ( 17.299 7.198 -2.029) 18.847 10.385 ( -0.589 11.901 -1.804) 12.051 11.481 ( 0.837 1.235 2.102) 2.578 12.055 ( 2.365 -7.101 1.211) 7.581 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 3.359 2.231 -1.503) 4.303 2.578 ( 3.086 -0.444 -4.482) 5.460 2.816 ( -4.842 11.960 1.831) 13.032 2.978 ( -3.693 13.120 0.012) 13.629 3.790 ( 0.376 -2.851 -2.047) 3.530 4.314 ( 7.273 -6.710 4.513) 10.876 7.517 ( -11.001 23.789 -4.380) 26.573 8.149 ( 2.409 -10.298 0.642) 10.595 8.953 ( 10.481 6.302 -2.496) 12.482 10.484 ( -4.549 16.227 0.262) 16.855 11.443 ( -2.217 -5.299 -3.323) 6.636 12.070 ( 6.804 -8.041 4.239) 11.355 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -0.197 -0.359 -1.806) 1.852 2.641 ( 5.494 0.969 -3.938) 6.829 2.802 ( -8.772 9.004 0.006) 12.571 3.037 ( -6.164 14.805 1.690) 16.125 3.741 ( 0.034 -5.824 -2.757) 6.444 4.355 ( 4.412 -8.602 4.786) 10.787 7.553 ( -11.677 25.322 -5.412) 28.405 8.116 ( 4.204 -8.431 2.371) 9.715 9.124 ( 5.460 3.176 -3.378) 7.162 10.510 ( -12.369 16.131 1.593) 20.390 11.321 ( -0.897 -9.742 -4.125) 10.617 12.134 ( 7.890 -7.736 3.973) 11.742 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -3.911 -1.388 -1.180) 4.314 2.696 ( -9.691 6.192 1.751) 11.633 2.760 ( 5.562 1.844 -6.456) 8.719 3.053 ( -9.498 14.217 1.212) 17.141 3.674 ( 0.360 -6.851 -1.069) 6.943 4.315 ( -0.556 -9.357 4.220) 10.279 7.578 ( -12.951 25.840 -4.125) 29.197 8.137 ( 4.322 -4.192 1.367) 6.174 9.167 ( 1.558 -5.347 -5.591) 7.892 10.392 ( -16.874 12.100 1.407) 20.811 11.221 ( -0.227 -7.643 -0.560) 7.667 12.202 ( 7.420 -6.851 2.241) 10.345 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.000 9.628 8.903) 13.113 1.804 ( 0.000 13.643 8.724) 16.194 2.107 ( -0.000 5.995 -2.869) 6.646 2.758 ( -0.000 6.071 -15.629) 16.767 3.254 ( 0.000 22.217 6.080) 23.034 3.766 ( 0.000 5.679 4.266) 7.103 6.435 ( 0.000 -1.207 1.639) 2.036 8.197 ( -0.000 19.964 -9.238) 21.998 8.625 ( -0.000 17.814 -1.708) 17.895 9.226 ( 0.000 0.589 9.635) 9.653 11.453 ( -0.000 -8.827 -0.609) 8.848 12.428 ( -0.000 2.727 -5.245) 5.912 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -2.279 9.219 5.588) 11.019 2.008 ( 5.493 12.934 7.533) 15.944 2.238 ( 8.254 6.061 -2.036) 10.441 2.742 ( -0.526 1.793 -14.465) 14.585 3.468 ( 0.712 16.458 3.452) 16.831 3.873 ( 0.814 10.976 5.728) 12.408 6.610 ( 19.970 -0.645 1.080) 20.010 8.269 ( -10.862 21.823 -8.780) 25.910 8.571 ( -14.559 7.079 1.753) 16.284 9.522 ( 22.674 2.314 5.595) 23.468 11.368 ( -1.551 -4.649 1.194) 5.045 12.401 ( -4.200 2.456 -5.136) 7.075 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 0.123 8.797 3.820) 9.591 2.263 ( 7.120 11.406 6.209) 14.811 2.460 ( 11.601 6.376 -3.245) 13.630 2.700 ( -0.375 0.133 -10.682) 10.689 3.615 ( 0.623 10.039 2.387) 10.337 4.016 ( 0.315 11.712 4.522) 12.558 7.046 ( 31.066 -1.325 -0.807) 31.105 8.195 ( -21.433 22.319 -2.140) 31.018 8.442 ( -4.097 2.084 -2.680) 5.321 9.915 ( 18.835 1.769 2.338) 19.062 11.339 ( 0.130 -0.043 4.183) 4.186 12.310 ( -6.919 1.570 -4.794) 8.563 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 2.275 7.539 2.387) 8.228 2.464 ( 4.287 5.734 -0.200) 7.162 2.686 ( 3.680 2.375 -0.892) 4.470 2.733 ( 9.625 9.512 -4.794) 14.356 3.706 ( 1.066 4.685 2.182) 5.277 4.119 ( -0.855 7.887 2.449) 8.303 7.560 ( 31.574 -4.110 -3.382) 32.019 8.021 ( -18.626 14.186 0.866) 23.429 8.444 ( -1.674 10.012 -3.774) 10.830 10.202 ( 12.018 3.980 0.620) 12.675 11.393 ( 3.075 1.306 6.247) 7.085 12.176 ( -7.905 -0.299 -4.297) 9.002 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 3.201 5.492 0.844) 6.413 2.513 ( 1.201 -0.197 -4.816) 4.967 2.814 ( 4.432 7.903 3.655) 9.771 2.972 ( 6.054 11.379 -2.829) 13.195 3.762 ( 1.750 0.702 1.717) 2.550 4.156 ( -0.689 1.688 1.300) 2.239 7.878 ( -12.473 11.295 -0.767) 16.845 7.917 ( 17.929 -8.940 -5.191) 20.696 8.596 ( 5.905 16.651 0.058) 17.667 10.423 ( 7.162 8.864 0.040) 11.396 11.476 ( 3.098 -0.547 5.418) 6.265 12.021 ( -6.316 -3.736 -3.018) 7.935 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 2.844 3.104 -0.530) 4.243 2.518 ( 1.821 -0.375 -3.466) 3.933 2.967 ( 1.375 9.971 2.092) 10.280 3.125 ( 0.477 10.614 -0.786) 10.654 3.780 ( -0.564 -0.346 -0.690) 0.956 4.158 ( 3.165 -5.343 2.369) 6.647 7.825 ( -6.630 12.195 -3.991) 14.443 7.996 ( 5.424 -8.383 -1.972) 10.178 8.905 ( 8.708 16.057 1.222) 18.307 10.624 ( 4.213 12.597 0.328) 13.287 11.472 ( -4.232 -2.730 0.448) 5.056 11.906 ( 1.497 -8.608 0.745) 8.769 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 1.034 1.070 -1.060) 1.827 2.556 ( 3.801 0.622 -2.879) 4.808 3.025 ( -6.429 9.590 -1.102) 11.598 3.233 ( 0.509 10.523 3.364) 11.059 3.717 ( -4.530 -2.067 -3.586) 6.136 4.183 ( 6.589 -9.183 3.733) 11.902 7.846 ( -3.898 11.757 -8.015) 14.754 7.999 ( 3.659 -3.187 2.548) 5.481 9.142 ( 1.801 11.818 1.024) 11.998 10.798 ( -0.732 14.649 2.073) 14.813 11.288 ( -9.192 -7.588 -3.665) 12.470 11.913 ( 8.570 -10.111 2.739) 13.534 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -1.638 0.201 -0.709) 1.796 2.637 ( 5.799 1.255 -3.892) 7.096 2.953 ( -10.405 6.613 -0.655) 12.345 3.343 ( -4.864 14.345 3.797) 15.616 3.592 ( -1.958 -7.405 -3.219) 8.309 4.202 ( 4.513 -9.296 3.113) 10.792 7.847 ( -2.697 4.995 -4.284) 7.112 8.101 ( 3.760 9.231 -2.105) 10.187 9.180 ( -6.116 2.479 0.061) 6.599 10.805 ( -17.243 11.020 2.544) 20.621 11.120 ( 2.744 -6.930 -1.260) 7.559 11.987 ( 9.779 -8.389 1.174) 12.938 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.000 7.755 4.025) 8.737 2.083 ( 0.000 11.298 1.082) 11.350 2.226 ( 0.000 6.489 2.531) 6.965 2.707 ( -0.000 -0.685 -12.528) 12.546 3.613 ( 0.000 12.105 2.203) 12.304 4.020 ( 0.000 15.568 5.659) 16.565 6.448 ( 0.000 1.058 2.016) 2.277 8.445 ( -0.000 11.633 -9.886) 15.266 8.953 ( -0.000 16.822 -1.559) 16.894 9.258 ( 0.000 -3.563 10.869) 11.438 11.347 ( 0.000 -2.201 1.458) 2.640 12.446 ( -0.000 2.418 -5.262) 5.791 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -1.458 7.408 1.540) 7.706 2.261 ( 7.636 9.777 1.171) 12.461 2.348 ( 5.788 5.628 1.299) 8.177 2.663 ( 0.193 -1.368 -8.613) 8.723 3.712 ( -0.584 8.017 1.850) 8.249 4.179 ( -1.466 15.283 3.832) 15.824 6.624 ( 17.936 1.005 1.154) 18.001 8.501 ( -1.150 7.634 -8.838) 11.736 8.756 ( -23.949 10.313 2.907) 26.236 9.591 ( 22.683 1.886 5.546) 23.427 11.347 ( 0.132 0.829 2.903) 3.022 12.414 ( -4.443 2.130 -5.088) 7.083 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 0.399 6.764 1.008) 6.850 2.456 ( 3.164 5.479 1.623) 6.532 2.557 ( 13.213 5.489 -3.137) 14.648 2.663 ( 4.005 1.368 -2.493) 4.912 3.760 ( -1.376 4.095 1.728) 4.653 4.275 ( -4.101 11.850 1.628) 12.645 7.026 ( 27.552 -0.445 -0.396) 27.558 8.397 ( -14.935 -0.416 1.901) 15.061 8.606 ( -6.646 16.406 -6.118) 18.728 9.983 ( 18.865 3.524 3.982) 19.600 11.380 ( 1.037 1.090 4.407) 4.657 12.312 ( -7.975 1.669 -4.792) 9.452 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 1.469 5.272 0.706) 5.518 2.496 ( -0.171 0.910 -2.166) 2.356 2.766 ( 8.432 3.578 2.385) 9.465 2.888 ( 13.489 7.966 -2.427) 15.852 3.761 ( -1.235 0.067 2.005) 2.356 4.278 ( -6.733 7.169 -0.250) 9.839 7.472 ( 25.546 -2.894 -1.160) 25.736 8.157 ( -13.465 1.654 1.283) 13.627 8.699 ( 0.936 15.715 -3.939) 16.228 10.324 ( 14.459 7.158 2.315) 16.299 11.418 ( 2.145 -2.506 5.180) 6.141 12.153 ( -10.532 0.759 -4.377) 11.431 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 1.709 3.379 0.242) 3.795 2.495 ( 0.154 0.738 -1.156) 1.380 2.958 ( 8.409 4.563 2.708) 9.943 3.150 ( 7.802 8.433 -3.054) 11.887 3.749 ( 1.403 -3.118 2.619) 4.307 4.193 ( -8.066 1.999 -1.214) 8.398 7.774 ( 13.928 -3.600 0.541) 14.396 8.000 ( -7.667 3.065 -1.622) 8.414 8.927 ( 8.136 15.869 -1.110) 17.868 10.621 ( 9.730 10.743 0.601) 14.506 11.428 ( 3.054 -7.642 4.583) 9.419 11.950 ( -11.568 -1.157 -3.443) 12.124 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 1.252 1.783 -0.164) 2.185 2.515 ( 1.426 1.442 -0.633) 2.124 3.143 ( 5.568 6.451 1.471) 8.647 3.267 ( -0.033 4.717 -1.541) 4.962 3.774 ( 1.971 -0.413 0.678) 2.125 4.060 ( -4.545 -4.871 -0.021) 6.662 7.885 ( 1.888 -2.373 0.345) 3.053 7.970 ( 1.437 5.821 -1.719) 6.237 9.211 ( 6.821 12.749 0.208) 14.461 10.854 ( 5.453 10.237 0.162) 11.600 11.381 ( -2.474 -7.487 1.072) 7.957 11.756 ( -4.618 -5.451 -0.672) 7.176 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 0.016 1.061 -0.203) 1.080 2.567 ( 3.101 1.977 -1.468) 3.959 3.175 ( -8.823 6.296 -1.693) 10.970 3.355 ( 8.439 -1.161 3.132) 9.076 3.727 ( -11.080 6.252 -2.423) 12.951 4.011 ( 7.127 -9.963 2.017) 12.414 7.868 ( -0.540 -0.513 -1.088) 1.319 8.101 ( 5.248 8.097 -2.006) 9.855 9.336 ( -3.947 5.101 0.717) 6.490 11.005 ( 4.644 1.704 0.641) 4.989 11.180 ( -15.287 1.262 0.137) 15.340 11.739 ( 8.834 -7.139 0.155) 11.359 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -0.000 5.809 0.019) 5.809 2.249 ( -0.000 7.422 -4.314) 8.585 2.383 ( 0.000 6.238 5.199) 8.121 2.625 ( -0.000 -1.443 -5.174) 5.371 3.793 ( 0.000 5.922 1.719) 6.167 4.352 ( 0.000 14.611 2.240) 14.781 6.489 ( 0.000 1.780 1.293) 2.200 8.548 ( -0.000 5.779 -9.307) 10.955 9.230 ( 0.000 -5.888 10.690) 12.204 9.252 ( -0.000 14.274 -0.407) 14.280 11.375 ( 0.000 2.939 3.179) 4.329 12.457 ( -0.000 1.957 -5.131) 5.491 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -0.493 5.615 -0.370) 5.648 2.391 ( 9.854 5.377 -3.874) 11.875 2.474 ( 2.091 4.938 3.078) 6.183 2.611 ( 1.500 -0.600 -1.224) 2.027 3.830 ( -1.654 3.435 1.528) 4.107 4.460 ( -3.143 11.578 0.415) 12.004 6.652 ( 16.431 1.154 0.422) 16.476 8.538 ( -4.355 2.412 -6.351) 8.070 8.936 ( -17.167 5.326 3.893) 18.391 9.682 ( 21.727 4.272 4.396) 22.575 11.413 ( -0.666 3.018 3.888) 4.967 12.421 ( -4.433 1.831 -4.986) 6.918 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.385 4.767 0.457) 4.804 2.520 ( -0.967 2.027 0.528) 2.307 2.622 ( 11.954 2.560 -1.645) 12.336 2.720 ( 10.843 3.483 0.767) 11.414 3.813 ( -3.248 0.698 1.505) 3.647 4.469 ( -6.685 7.666 -1.268) 10.251 7.023 ( 25.156 0.174 0.302) 25.158 8.379 ( -12.385 -1.262 -0.710) 12.469 8.842 ( -4.212 10.119 -0.807) 10.991 10.090 ( 20.378 4.496 3.351) 21.136 11.421 ( -1.982 -0.008 4.398) 4.824 12.316 ( -8.296 1.806 -4.662) 9.686 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.626 3.075 0.936) 3.274 2.520 ( -1.281 2.098 1.413) 2.836 2.822 ( 10.776 0.733 1.088) 10.855 2.999 ( 15.443 4.880 -2.022) 16.322 3.751 ( -3.670 -2.055 2.203) 4.749 4.380 ( -9.727 3.952 -2.502) 10.794 7.449 ( 23.178 0.272 2.443) 23.308 8.161 ( -10.817 -0.772 -0.657) 10.864 8.942 ( 3.953 10.485 -1.020) 11.252 10.475 ( 18.200 6.032 1.088) 19.204 11.366 ( -3.007 -5.428 4.498) 7.664 12.151 ( -11.667 1.685 -4.039) 12.461 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.787 1.391 0.720) 1.753 2.533 ( -0.655 3.026 1.961) 3.665 3.011 ( 11.025 -0.732 1.779) 11.192 3.269 ( 9.537 6.419 -4.208) 12.242 3.683 ( 0.055 -5.518 3.859) 6.734 4.214 ( -11.679 1.303 -2.909) 12.106 7.781 ( 12.119 1.627 5.953) 13.600 8.023 ( -4.259 1.699 -2.462) 5.205 9.151 ( 9.778 7.158 -0.975) 12.158 10.814 ( 13.358 8.014 -1.525) 15.652 11.252 ( -1.231 -12.036 3.997) 12.741 11.938 ( -13.954 1.886 -2.680) 14.333 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -0.000 4.592 -0.191) 4.596 2.340 ( -0.000 4.692 -3.918) 6.112 2.503 ( 0.000 3.469 2.252) 4.136 2.596 ( 0.000 -0.193 0.801) 0.824 3.879 ( 0.000 2.155 1.420) 2.581 4.589 ( -0.000 9.020 -1.001) 9.075 6.520 ( -0.000 0.884 -0.284) 0.928 8.586 ( -0.000 4.052 -7.524) 8.546 9.176 ( 0.000 -5.802 10.216) 11.748 9.493 ( 0.000 9.963 1.261) 10.043 11.466 ( 0.000 3.309 4.044) 5.225 12.461 ( -0.000 1.703 -5.024) 5.305 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -0.117 3.933 1.060) 4.075 2.447 ( 8.845 2.772 -3.437) 9.886 2.559 ( 1.321 2.756 1.696) 3.495 2.616 ( 3.240 0.223 1.894) 3.760 3.875 ( -2.468 0.473 1.285) 2.822 4.621 ( -3.980 5.489 -2.369) 7.182 6.666 ( 16.243 0.181 -0.644) 16.256 8.540 ( -7.578 1.432 -4.806) 9.087 9.031 ( -9.123 2.292 6.582) 11.480 9.790 ( 19.232 3.643 3.122) 19.821 11.484 ( -2.384 1.134 4.170) 4.936 12.426 ( -4.251 1.775 -4.842) 6.683 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -0.136 1.955 1.760) 2.634 2.579 ( -0.904 3.310 2.675) 4.351 2.635 ( 10.381 -0.366 -1.073) 10.443 2.773 ( 13.421 1.612 -0.074) 13.518 3.817 ( -4.444 -1.077 1.451) 4.798 4.550 ( -7.568 2.016 -3.440) 8.554 7.034 ( 25.878 0.440 1.049) 25.903 8.345 ( -12.472 -1.173 -2.139) 12.708 9.013 ( -1.702 7.121 4.069) 8.376 10.165 ( 21.382 0.806 1.619) 21.458 11.426 ( -5.428 -2.299 3.996) 7.121 12.325 ( -8.131 1.916 -4.359) 9.422 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 0.146 -0.211 1.452) 1.475 2.603 ( -1.778 4.836 4.113) 6.593 2.802 ( 11.508 -3.094 -0.034) 11.917 3.054 ( 16.964 1.992 -1.836) 17.179 3.718 ( -5.649 -2.578 2.083) 6.549 4.395 ( -9.951 -0.437 -3.869) 10.685 7.504 ( 25.382 2.409 5.102) 26.001 8.137 ( -9.372 -0.356 -2.190) 9.631 9.097 ( 2.472 5.136 2.501) 6.225 10.522 ( 21.200 -2.142 -0.996) 21.331 11.287 ( -7.960 -4.691 3.373) 9.836 12.167 ( -11.309 2.329 -3.299) 12.008 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 0.000 2.421 2.146) 3.235 2.383 ( -0.000 1.978 -3.640) 4.142 2.542 ( 0.000 -0.064 0.026) 0.069 2.628 ( 0.000 2.327 3.818) 4.471 3.901 ( 0.000 -0.554 1.143) 1.270 4.685 ( -0.000 2.202 -3.435) 4.081 6.514 ( -0.000 -0.870 -1.909) 2.098 8.619 ( -0.000 3.164 -5.631) 6.459 9.156 ( 0.000 -1.844 10.271) 10.435 9.644 ( 0.000 4.071 2.689) 4.878 11.524 ( 0.000 -0.493 3.970) 4.000 12.464 ( -0.000 1.780 -4.828) 5.146 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -0.446 -0.149 2.437) 2.481 2.450 ( 7.530 -0.581 -3.753) 8.433 2.596 ( 7.411 -0.526 -0.018) 7.430 2.665 ( -1.117 4.376 5.130) 6.834 3.870 ( -2.666 -1.699 1.095) 3.346 4.642 ( -4.113 -1.286 -4.293) 6.083 6.649 ( 17.554 -1.205 -1.524) 17.661 8.530 ( -10.325 0.266 -4.101) 11.113 9.145 ( -3.548 4.941 9.505) 11.285 9.836 ( 16.429 -1.055 2.404) 16.637 11.490 ( -3.321 -3.280 3.491) 5.829 12.432 ( -4.081 1.853 -4.551) 6.387 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -0.335 -2.727 1.901) 3.341 2.570 ( 10.332 -4.012 -2.871) 11.450 2.709 ( -1.511 5.687 6.264) 8.594 2.786 ( 14.424 0.402 -0.443) 14.436 3.790 ( -4.629 -2.604 1.208) 5.447 4.505 ( -7.024 -4.056 -4.700) 9.374 7.046 ( 29.249 -0.080 1.064) 29.269 8.311 ( -12.399 -0.617 -2.829) 12.733 9.183 ( -3.128 6.208 8.525) 11.000 10.126 ( 20.206 -5.210 0.137) 20.867 11.375 ( -6.148 -5.104 2.526) 8.380 12.338 ( -7.662 2.014 -3.824) 8.797 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 0.000 -2.624 2.493) 3.619 2.358 ( -0.000 -2.466 -4.903) 5.488 2.515 ( 0.000 -2.207 0.113) 2.210 2.747 ( 0.000 6.673 6.087) 9.032 3.873 ( 0.000 -3.011 0.861) 3.132 4.632 ( -0.000 -4.957 -4.885) 6.959 6.467 ( -0.000 -2.322 -2.762) 3.608 8.622 ( -0.000 0.374 -5.167) 5.181 9.259 ( 0.000 5.592 12.175) 13.398 9.676 ( 0.000 -2.759 3.259) 4.270 11.483 ( 0.000 -5.919 2.746) 6.525 12.470 ( -0.000 1.830 -4.544) 4.899 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -0.675 -5.418 1.741) 5.731 2.364 ( 6.696 -5.617 -4.917) 10.028 2.570 ( 8.699 -2.009 0.802) 8.964 2.830 ( -1.085 8.391 6.466) 10.649 3.819 ( -2.306 -4.240 0.761) 4.886 4.520 ( -3.586 -8.179 -5.136) 10.302 6.605 ( 19.516 -2.079 -1.852) 19.714 8.500 ( -10.734 -0.570 -4.293) 11.575 9.340 ( -3.273 6.992 12.830) 14.974 9.776 ( 14.267 -5.770 1.934) 15.510 11.395 ( -2.940 -7.928 1.544) 8.595 12.441 ( -3.881 1.792 -4.212) 6.001 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 0.000 -7.494 1.329) 7.611 2.214 ( -0.000 -8.600 -6.387) 10.712 2.474 ( 0.000 -2.444 1.343) 2.788 2.948 ( 0.000 9.572 6.474) 11.556 3.789 ( 0.000 -6.179 0.479) 6.197 4.435 ( -0.000 -12.049 -5.058) 13.067 6.400 ( -0.000 -2.545 -2.519) 3.581 8.578 ( -0.000 -1.023 -5.809) 5.899 9.504 ( 0.000 9.790 15.852) 18.631 9.575 ( 0.000 -9.556 2.760) 9.946 11.333 ( 0.000 -9.954 0.064) 9.954 12.477 ( -0.000 1.620 -4.383) 4.673 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.000 -0.000 18.055) 18.055 0.708 ( 0.000 -0.000 18.055) 18.055 1.469 ( 0.000 -0.000 36.529) 36.529 2.047 ( -0.000 0.000 -7.001) 7.001 2.047 ( -0.000 0.000 -7.001) 7.001 4.396 ( -0.000 0.000 -12.676) 12.676 6.896 ( -0.000 0.000 -3.756) 3.756 6.896 ( -0.000 0.000 -3.756) 3.756 7.444 ( 0.000 -0.000 2.902) 2.902 7.444 ( 0.000 -0.000 2.902) 2.902 12.325 ( 0.000 -0.000 1.801) 1.801 12.365 ( 0.000 -0.000 1.562) 1.562 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 4.459 2.574 16.385) 17.175 0.955 ( 9.658 5.576 18.929) 21.970 1.672 ( 9.813 5.666 26.339) 28.673 2.089 ( 7.827 4.519 -5.416) 10.536 2.092 ( 3.532 2.039 -6.321) 7.523 4.133 ( -12.539 -7.239 -6.586) 15.906 6.853 ( -5.835 -3.369 -2.976) 7.366 7.019 ( 14.258 8.232 -6.343) 17.643 7.503 ( 8.653 4.996 2.256) 10.243 8.231 ( 48.004 27.715 -13.126) 56.963 12.159 ( -14.159 -8.175 2.586) 16.553 12.357 ( -1.055 -0.609 0.665) 1.388 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 9.189 5.305 13.759) 17.375 1.162 ( 3.961 2.287 21.852) 22.325 2.059 ( 18.737 10.818 3.461) 21.911 2.164 ( 4.344 2.508 -5.248) 7.259 2.355 ( 15.544 8.974 3.917) 18.371 3.912 ( -5.776 -3.335 -5.319) 8.531 6.688 ( -7.156 -4.132 -1.512) 8.401 7.379 ( 18.083 10.440 -7.220) 22.093 7.779 ( 14.512 8.379 1.331) 16.810 9.157 ( 36.561 21.108 -10.755) 43.565 11.776 ( -19.197 -11.083 1.525) 22.219 12.325 ( -1.687 -0.974 -0.573) 2.031 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 11.215 6.475 11.444) 17.282 1.321 ( 5.582 3.223 17.482) 18.632 2.251 ( 4.611 2.662 -4.029) 6.677 2.453 ( 16.153 9.326 -9.506) 20.935 2.773 ( 18.647 10.766 9.361) 23.479 3.831 ( -0.170 -0.098 -2.679) 2.686 6.545 ( -5.107 -2.948 -0.162) 5.899 7.738 ( 15.118 8.728 -6.397) 18.592 8.141 ( 17.119 9.884 0.686) 19.779 9.820 ( 25.157 14.524 -6.221) 29.707 11.349 ( -18.396 -10.621 1.738) 21.313 12.286 ( -1.378 -0.796 -1.425) 2.136 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 8.670 5.006 11.271) 15.075 1.550 ( 11.298 6.523 9.458) 16.114 2.342 ( 4.380 2.529 -2.864) 5.812 2.702 ( 8.786 5.073 -11.844) 15.595 3.200 ( 16.490 9.520 6.828) 20.228 3.897 ( 6.244 3.605 1.174) 7.305 6.463 ( -2.414 -1.394 1.187) 3.029 8.006 ( 10.079 5.819 -3.619) 12.188 8.540 ( 18.062 10.428 -0.121) 20.856 10.216 ( 10.676 6.164 -15.828) 20.062 11.032 ( -8.613 -4.973 11.076) 14.886 12.259 ( -0.630 -0.364 -1.246) 1.442 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 10.112 5.838 5.975) 13.117 1.818 ( 10.059 5.807 7.705) 13.938 2.426 ( 3.693 2.132 -1.837) 4.643 2.785 ( 2.357 1.361 -11.140) 11.467 3.542 ( 12.279 7.089 4.331) 14.826 4.095 ( 9.848 5.686 3.104) 11.788 6.439 ( -0.310 -0.179 2.264) 2.292 8.179 ( 6.219 3.591 -0.070) 7.182 8.938 ( 17.213 9.938 -1.107) 19.906 10.139 ( -9.004 -5.198 -22.322) 24.624 11.109 ( 8.990 5.190 13.859) 17.315 12.250 ( -0.042 -0.024 0.299) 0.303 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 9.797 5.656 1.936) 11.477 2.043 ( 7.937 4.582 6.235) 11.084 2.493 ( 2.574 1.486 -0.936) 3.116 2.769 ( -0.447 -0.258 -9.215) 9.230 3.775 ( 7.589 4.381 2.139) 9.020 4.323 ( 8.977 5.183 3.861) 11.061 6.452 ( 0.531 0.306 2.826) 2.892 8.302 ( 4.764 2.751 2.651) 6.107 9.291 ( 14.388 8.307 -2.098) 16.746 9.825 ( -11.888 -6.863 -17.926) 22.578 11.373 ( 10.297 5.945 5.151) 12.958 12.259 ( 0.446 0.257 3.004) 3.048 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 5.194 2.999 5.148) 7.904 2.209 ( 7.792 4.499 -1.018) 9.055 2.533 ( 1.087 0.628 -0.170) 1.267 2.728 ( -0.599 -0.346 -7.179) 7.213 3.898 ( 3.179 1.835 -0.110) 3.672 4.505 ( 5.750 3.320 4.776) 8.179 6.470 ( 0.097 0.056 2.895) 2.897 8.418 ( 4.646 2.682 3.959) 6.667 9.535 ( -8.943 -5.164 -13.940) 17.348 9.557 ( 9.742 5.625 -2.885) 11.613 11.563 ( 5.680 3.279 -1.887) 6.824 12.292 ( 1.379 0.796 5.826) 6.040 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 1.792 1.035 4.658) 5.097 2.331 ( 3.094 1.786 -2.847) 4.569 2.540 ( -0.486 -0.281 0.224) 0.605 2.720 ( 2.196 1.268 -5.578) 6.128 3.926 ( -0.232 -0.134 -1.605) 1.627 4.601 ( 1.188 0.686 5.452) 5.622 6.469 ( -1.035 -0.598 2.725) 2.976 8.524 ( 3.202 1.849 4.387) 5.737 9.364 ( -2.265 -1.307 -11.510) 11.804 9.702 ( 3.832 2.212 -3.307) 5.524 11.608 ( -0.719 -0.415 -4.834) 4.905 12.354 ( 2.222 1.283 6.687) 7.163 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -2.660 -1.536 5.171) 6.015 2.323 ( -2.683 -1.549 -2.766) 4.153 2.516 ( -1.482 -0.855 -0.257) 1.730 2.801 ( 6.198 3.578 -5.426) 8.981 3.885 ( -2.845 -1.643 -1.755) 3.724 4.584 ( -4.328 -2.499 5.495) 7.427 6.442 ( -2.029 -1.172 2.582) 3.486 8.575 ( 0.124 0.072 4.954) 4.956 9.372 ( 5.785 3.340 -12.001) 13.735 9.707 ( -2.489 -1.437 -3.268) 4.352 11.513 ( -6.120 -3.534 -3.792) 8.020 12.423 ( 2.023 1.168 5.704) 6.164 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 9.205 16.581) 18.965 0.956 ( 0.000 14.046 15.500) 20.918 1.759 ( 0.000 8.866 28.308) 29.664 1.969 ( -0.000 -0.467 -7.961) 7.974 2.154 ( -0.000 11.943 -5.689) 13.229 4.116 ( -0.000 -13.650 -7.986) 15.815 6.741 ( -0.000 -8.120 -2.003) 8.363 6.993 ( -0.000 11.142 -4.175) 11.898 7.661 ( 0.000 13.577 1.120) 13.623 8.082 ( -0.000 47.594 -10.515) 48.742 12.197 ( 0.000 -12.025 1.637) 12.136 12.368 ( 0.000 -0.283 0.401) 0.491 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.006 13.448 13.575) 19.108 1.211 ( 4.054 7.730 19.667) 21.517 1.952 ( 6.400 9.375 0.877) 11.384 2.079 ( 9.020 6.848 3.603) 11.885 2.307 ( 5.186 14.652 0.058) 15.543 3.929 ( -4.298 -7.911 -6.478) 11.092 6.895 ( 20.877 -5.399 -4.285) 21.985 6.954 ( -11.454 10.978 -2.152) 16.011 7.830 ( 3.195 18.581 -0.017) 18.854 8.776 ( 30.295 30.372 -9.602) 43.960 11.960 ( -12.981 -12.343 0.898) 17.935 12.346 ( -1.862 -0.467 -0.610) 2.014 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 4.279 13.399 10.661) 17.650 1.370 ( 1.613 6.214 20.312) 21.302 2.155 ( 9.422 3.863 -5.977) 11.807 2.328 ( 8.346 14.762 -7.499) 18.542 2.640 ( 14.163 14.453 9.605) 22.399 3.814 ( -0.779 -2.967 -4.262) 5.251 6.792 ( -16.830 14.671 -1.811) 22.400 7.307 ( 30.834 -6.499 -4.210) 31.792 8.084 ( 6.456 15.344 -0.020) 16.647 9.492 ( 28.575 17.342 -5.795) 33.924 11.583 ( -18.099 -9.153 0.866) 20.300 12.302 ( -2.082 -0.770 -1.397) 2.622 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 5.629 7.239 10.527) 13.961 1.573 ( 4.603 13.820 13.606) 19.933 2.300 ( 4.937 5.378 -4.184) 8.414 2.572 ( 9.098 8.675 -11.681) 17.160 3.055 ( 15.188 12.282 7.812) 21.036 3.829 ( 4.616 1.279 -0.697) 4.840 6.673 ( -13.901 15.156 -0.256) 20.567 7.742 ( 25.527 -1.210 -4.270) 25.910 8.338 ( 11.172 6.644 0.741) 13.019 10.005 ( 18.372 9.376 -9.303) 22.627 11.233 ( -15.201 -3.412 5.484) 16.516 12.260 ( -1.137 -1.057 -1.477) 2.142 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 7.710 6.582 7.640) 12.694 1.833 ( 4.744 14.958 9.446) 18.316 2.410 ( 2.782 6.285 -3.427) 7.680 2.707 ( 4.716 2.503 -11.129) 12.344 3.415 ( 12.872 8.583 5.093) 16.288 3.982 ( 9.535 4.038 1.788) 10.508 6.618 ( -10.782 15.638 0.970) 19.019 8.077 ( 12.901 4.121 -1.448) 13.620 8.616 ( 20.095 -3.003 -0.737) 20.331 10.172 ( -1.110 3.116 -18.558) 18.850 11.125 ( -0.672 4.632 12.746) 13.578 12.237 ( 0.297 -1.615 -0.309) 1.671 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 8.599 6.304 3.852) 11.337 2.069 ( 3.260 13.983 7.182) 16.054 2.495 ( 1.345 6.011 -2.701) 6.726 2.730 ( 1.210 -0.233 -9.169) 9.252 3.681 ( 9.359 4.718 3.028) 10.909 4.205 ( 10.808 3.609 2.718) 11.715 6.612 ( -8.747 15.787 1.673) 18.125 8.260 ( 5.057 3.977 2.577) 6.931 8.927 ( 23.110 -8.758 -4.709) 25.159 10.018 ( -12.357 6.085 -15.773) 20.941 11.295 ( 7.574 6.302 7.574) 12.428 12.237 ( 1.683 -2.292 2.148) 3.564 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 7.937 5.245 0.591) 9.532 2.253 ( 1.052 12.239 5.559) 13.483 2.554 ( 0.072 5.007 -1.885) 5.350 2.706 ( -0.279 -0.385 -6.981) 6.997 3.838 ( 5.374 1.175 0.743) 5.551 4.412 ( 9.210 1.409 3.762) 10.048 6.630 ( -8.226 15.624 1.838) 17.753 8.369 ( 4.086 0.992 4.498) 6.157 9.144 ( 17.000 -13.519 -9.044) 23.528 9.867 ( -11.801 15.046 -8.427) 20.897 11.482 ( 6.649 3.268 0.030) 7.409 12.264 ( 2.973 -2.496 5.025) 6.350 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 5.285 2.956 -1.923) 6.353 2.372 ( -1.647 9.847 4.480) 10.943 2.586 ( -1.194 4.647 -0.788) 4.862 2.684 ( 0.248 0.495 -5.448) 5.476 3.896 ( 2.084 -1.496 -1.109) 2.795 4.554 ( 5.690 -1.373 4.800) 7.570 6.643 ( -9.035 15.431 1.734) 17.965 8.449 ( 5.019 -3.465 4.596) 7.637 9.198 ( 8.573 -9.810 -10.717) 16.870 9.855 ( -7.734 17.086 -3.622) 19.102 11.565 ( 2.659 -1.241 -4.245) 5.161 12.318 ( 3.946 -2.197 6.406) 7.838 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.087 -0.671 -2.818) 2.898 2.413 ( -4.674 6.517 4.226) 9.065 2.596 ( -4.105 6.228 0.052) 7.459 2.714 ( 4.766 1.571 -5.507) 7.450 3.883 ( -0.310 -3.127 -1.684) 3.565 4.597 ( 0.720 -4.321 5.258) 6.844 6.634 ( -10.461 15.448 1.698) 18.734 8.492 ( 5.123 -8.030 4.186) 10.404 9.239 ( 7.312 -1.244 -10.642) 12.971 9.858 ( -9.026 12.762 -2.377) 15.811 11.526 ( -1.840 -4.932 -4.343) 6.824 12.385 ( 4.015 -2.183 5.679) 7.290 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 12.222 13.965) 18.558 1.318 ( 0.000 12.074 15.391) 19.561 1.942 ( -0.000 2.508 -6.942) 7.381 2.155 ( 0.000 18.997 8.344) 20.748 2.420 ( 0.000 16.826 0.793) 16.845 3.861 ( -0.000 -8.101 -6.232) 10.220 6.587 ( -0.000 -6.580 -0.350) 6.589 7.303 ( -0.000 22.328 -5.288) 22.945 7.954 ( -0.000 16.151 -0.660) 16.164 8.778 ( -0.000 27.914 -3.448) 28.127 11.935 ( -0.000 -14.296 -1.009) 14.331 12.364 ( -0.000 0.467 -1.955) 2.010 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -0.062 13.787 9.544) 16.768 1.483 ( 1.205 8.664 18.086) 20.090 2.025 ( 7.826 4.987 -5.854) 10.972 2.375 ( 2.647 17.498 -7.469) 19.209 2.658 ( 6.268 18.757 8.693) 21.603 3.775 ( -0.280 -4.032 -4.018) 5.699 6.741 ( 23.394 -6.296 -0.967) 24.245 7.311 ( -19.827 23.975 -4.146) 31.387 8.152 ( 3.341 14.882 -1.023) 15.287 9.213 ( 21.927 17.273 0.500) 27.917 11.716 ( -8.981 -11.936 -1.682) 15.032 12.337 ( -2.677 0.676 -2.743) 3.892 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.766 9.016 9.128) 12.853 1.691 ( 4.025 14.358 14.142) 20.552 2.220 ( 9.441 5.983 -4.521) 12.057 2.531 ( 3.058 11.708 -12.780) 17.600 3.006 ( 9.761 16.964 7.993) 21.141 3.770 ( 2.903 0.695 -0.710) 3.069 7.168 ( 26.272 -2.359 -0.704) 26.387 7.181 ( -14.839 22.155 -3.929) 26.953 8.310 ( 2.363 8.011 -0.031) 8.353 9.737 ( 22.232 9.923 -0.994) 24.366 11.439 ( -11.786 -5.884 0.570) 13.185 12.281 ( -3.064 0.045 -2.791) 4.145 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 3.827 8.118 7.558) 11.733 1.954 ( 4.244 16.446 10.348) 19.889 2.403 ( 5.747 7.643 -4.769) 10.686 2.629 ( 3.549 4.587 -11.400) 12.791 3.334 ( 9.682 12.030 5.103) 16.263 3.881 ( 7.039 3.883 1.550) 8.187 7.078 ( -18.826 25.293 -0.736) 31.539 7.687 ( 32.450 -1.968 -3.185) 32.665 8.394 ( 3.557 -0.392 0.564) 3.623 10.086 ( 10.972 4.975 -7.612) 14.251 11.265 ( -6.513 2.052 6.385) 9.349 12.225 ( -1.751 -1.425 -2.002) 3.017 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 5.927 7.483 4.824) 10.695 2.203 ( 2.748 16.401 7.779) 18.360 2.528 ( 1.869 8.073 -6.181) 10.338 2.677 ( 2.575 1.395 -7.312) 7.876 3.592 ( 8.325 6.775 3.371) 11.250 4.068 ( 9.539 3.341 1.997) 10.302 7.030 ( -15.868 24.930 0.046) 29.552 8.157 ( 20.302 4.400 -1.060) 20.801 8.451 ( 11.814 -10.880 -2.178) 16.208 10.167 ( -2.147 5.738 -10.478) 12.138 11.303 ( 1.939 6.288 7.705) 10.132 12.187 ( 0.566 -3.465 0.032) 3.511 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 6.493 6.126 1.941) 9.135 2.405 ( 0.598 14.816 5.561) 15.836 2.583 ( 0.299 4.174 -6.404) 7.650 2.713 ( 0.013 5.260 -3.639) 6.396 3.761 ( 5.606 2.103 1.446) 6.160 4.262 ( 10.117 0.417 2.615) 10.457 7.022 ( -13.691 24.139 0.003) 27.752 8.342 ( 1.248 0.175 3.824) 4.026 8.659 ( 23.724 -9.833 -7.757) 26.827 10.140 ( -6.602 12.074 -6.913) 15.400 11.430 ( 3.708 4.250 2.134) 6.030 12.182 ( 3.325 -5.120 3.144) 6.867 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 5.442 3.929 -0.671) 6.746 2.536 ( -0.718 9.471 2.050) 9.717 2.604 ( -0.578 4.821 -2.911) 5.662 2.750 ( -2.927 8.832 -2.068) 9.532 3.833 ( 2.828 -1.666 -0.691) 3.354 4.422 ( 8.712 -2.823 3.811) 9.919 7.032 ( -12.761 23.752 -0.593) 26.969 8.342 ( 2.760 -7.486 2.995) 8.523 8.900 ( 14.701 -3.298 -6.805) 16.532 10.154 ( -7.241 17.197 -3.257) 18.941 11.494 ( 2.058 -1.048 -3.116) 3.878 12.219 ( 5.432 -5.556 5.427) 9.478 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 2.134 0.829 -2.208) 3.180 2.592 ( -1.951 6.530 0.713) 6.852 2.637 ( -0.174 4.720 -2.351) 5.276 2.774 ( -5.289 11.281 -0.446) 12.467 3.831 ( 1.185 -4.140 -1.774) 4.658 4.512 ( 5.164 -5.704 4.603) 8.966 7.045 ( -13.290 24.197 -1.122) 27.629 8.322 ( 4.613 -10.719 2.785) 11.997 9.062 ( 9.065 0.691 -6.514) 11.184 10.178 ( -10.200 17.720 -1.257) 20.485 11.465 ( 0.367 -6.063 -4.521) 7.572 12.280 ( 5.975 -5.550 5.295) 9.723 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 0.000 13.139 9.556) 16.246 1.608 ( 0.000 8.973 13.013) 15.807 1.985 ( -0.000 5.313 -3.697) 6.473 2.496 ( -0.000 15.655 -12.442) 19.997 2.835 ( 0.000 21.893 9.092) 23.706 3.736 ( -0.000 -1.555 -1.747) 2.339 6.487 ( 0.000 -3.791 0.879) 3.891 7.733 ( -0.000 24.211 -6.557) 25.084 8.274 ( -0.000 17.451 -1.840) 17.548 9.160 ( 0.000 11.068 7.788) 13.533 11.655 ( -0.000 -12.489 -3.072) 12.861 12.366 ( -0.000 1.734 -4.172) 4.518 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -2.420 9.550 6.389) 11.742 1.786 ( 4.564 12.125 11.783) 17.512 2.110 ( 8.036 6.311 -2.637) 10.553 2.581 ( 0.040 10.342 -14.368) 17.703 3.106 ( 3.454 20.771 6.674) 22.088 3.752 ( 1.323 3.195 1.365) 3.718 6.648 ( 21.159 -3.101 0.359) 21.388 7.775 ( -17.674 25.585 -5.365) 31.556 8.398 ( -2.792 11.109 -0.856) 11.487 9.467 ( 19.619 6.897 7.500) 22.107 11.497 ( -4.335 -8.689 -2.273) 9.972 12.340 ( -3.382 1.879 -4.479) 5.919 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.224 8.743 5.403) 10.280 2.041 ( 6.388 13.458 9.804) 17.834 2.320 ( 9.879 6.744 -4.151) 12.661 2.617 ( 0.202 5.338 -12.044) 13.176 3.367 ( 4.229 15.573 3.694) 16.555 3.849 ( 3.332 6.700 2.988) 8.057 7.082 ( 32.264 -2.814 -1.144) 32.407 7.684 ( -21.238 27.388 -2.685) 34.762 8.409 ( -2.857 2.656 -0.240) 3.908 9.873 ( 17.995 4.074 2.385) 18.604 11.367 ( -3.660 -2.110 1.307) 4.422 12.270 ( -4.747 0.889 -3.974) 6.255 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 2.944 8.089 4.107) 9.537 2.298 ( 5.444 12.251 7.022) 15.133 2.529 ( 6.911 9.050 -6.884) 13.306 2.633 ( 1.683 2.487 -5.966) 6.679 3.571 ( 4.446 9.496 2.367) 10.749 3.993 ( 4.774 6.069 2.419) 8.092 7.586 ( -12.735 21.789 -2.619) 25.373 7.628 ( 27.209 1.786 -0.797) 27.280 8.372 ( -1.948 -0.811 -0.472) 2.162 10.133 ( 8.705 3.592 -2.336) 9.702 11.360 ( 0.581 3.472 4.909) 6.041 12.182 ( -3.899 -1.478 -2.747) 4.993 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 4.332 6.680 2.300) 8.287 2.472 ( 3.130 4.741 -0.722) 5.727 2.644 ( 0.152 10.101 -0.738) 10.129 2.747 ( 4.528 9.121 -3.007) 10.618 3.715 ( 3.831 4.215 1.514) 5.893 4.131 ( 6.212 1.897 1.713) 6.717 7.520 ( -16.934 23.674 -0.614) 29.113 8.103 ( 26.429 -9.786 -5.171) 28.653 8.366 ( 2.189 6.020 1.822) 6.659 10.259 ( 2.079 7.862 -3.321) 8.784 11.445 ( 1.804 4.503 3.612) 6.048 12.104 ( -0.668 -4.944 -0.227) 4.994 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 4.351 4.610 0.290) 6.346 2.516 ( 2.022 -0.298 -3.946) 4.444 2.760 ( -1.239 12.302 2.828) 12.683 2.883 ( -0.164 12.604 -1.790) 12.731 3.783 ( 1.535 0.004 -0.364) 1.578 4.252 ( 8.062 -3.030 2.503) 8.969 7.480 ( -13.455 21.727 -1.839) 25.622 8.192 ( 5.674 -12.051 -2.412) 13.537 8.654 ( 14.819 9.247 0.626) 17.479 10.366 ( -0.465 13.599 -2.156) 13.777 11.484 ( -1.634 1.085 -1.325) 2.367 12.076 ( 4.392 -7.802 3.288) 9.538 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 2.799 2.132 -1.262) 3.738 2.542 ( 3.090 -0.144 -3.269) 4.501 2.826 ( -5.154 10.721 0.303) 11.900 2.984 ( -3.323 14.546 1.215) 14.970 3.771 ( 0.024 -3.562 -2.142) 4.156 4.351 ( 7.812 -6.633 3.629) 10.872 7.479 ( -10.985 21.828 -3.805) 24.731 8.155 ( 3.828 -10.300 0.685) 11.010 8.940 ( 8.653 8.043 -0.545) 11.827 10.482 ( -4.189 17.538 -0.517) 18.039 11.407 ( -3.159 -5.357 -4.279) 7.549 12.111 ( 7.333 -8.678 4.498) 12.219 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 0.000 7.500 7.116) 10.338 1.857 ( 0.000 12.226 2.094) 12.404 2.101 ( 0.000 7.008 2.040) 7.299 2.619 ( -0.000 6.241 -14.043) 15.367 3.301 ( 0.000 20.049 4.002) 20.445 3.803 ( 0.000 7.989 3.935) 8.905 6.450 ( 0.000 -0.906 1.512) 1.763 8.116 ( -0.000 18.972 -8.173) 20.657 8.607 ( -0.000 17.912 -2.078) 18.032 9.336 ( 0.000 0.723 14.123) 14.142 11.438 ( -0.000 -7.366 -2.710) 7.849 12.379 ( -0.000 2.541 -5.388) 5.957 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -2.178 8.189 1.965) 8.698 2.064 ( 7.694 10.902 3.992) 13.928 2.231 ( 5.884 6.661 0.840) 8.927 2.623 ( 0.003 3.050 -10.710) 11.136 3.492 ( 0.734 15.330 1.672) 15.438 3.921 ( 0.451 11.656 4.615) 12.544 6.619 ( 19.152 -0.427 0.830) 19.175 8.193 ( -8.717 20.093 -7.428) 23.128 8.585 ( -14.557 8.808 1.338) 17.067 9.594 ( 19.657 1.183 9.810) 22.001 11.370 ( -0.621 -3.048 -0.846) 3.223 12.352 ( -3.935 2.380 -5.325) 7.036 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 0.624 7.894 1.403) 8.042 2.320 ( 6.818 9.721 6.377) 13.478 2.421 ( 10.666 6.571 -5.623) 13.732 2.626 ( 0.868 2.080 -5.116) 5.590 3.630 ( 0.811 9.873 0.878) 9.945 4.051 ( -0.258 11.231 3.093) 11.652 7.039 ( 29.884 -1.181 -0.662) 29.914 8.176 ( -18.070 24.009 -1.926) 30.111 8.425 ( -6.456 -0.160 -0.996) 6.534 9.948 ( 16.521 1.939 4.819) 17.318 11.369 ( 1.504 0.937 2.151) 2.787 12.265 ( -6.499 1.386 -4.709) 8.144 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 2.362 6.813 1.053) 7.288 2.458 ( 1.799 2.911 -0.618) 3.478 2.687 ( 9.211 5.898 -1.897) 11.101 2.698 ( 6.559 9.537 -0.192) 11.576 3.721 ( 1.218 4.816 0.927) 5.053 4.136 ( -1.154 7.179 1.141) 7.360 7.534 ( 29.907 -3.710 -2.215) 30.217 8.035 ( -19.516 15.172 2.305) 24.827 8.412 ( 0.610 8.301 -3.124) 8.891 10.213 ( 10.285 5.030 1.643) 11.567 11.440 ( 3.607 1.661 3.758) 5.467 12.138 ( -7.150 -0.791 -3.593) 8.041 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 2.877 5.039 0.390) 5.815 2.481 ( 0.694 0.328 -1.802) 1.958 2.841 ( 4.440 7.781 1.832) 9.144 2.951 ( 6.534 11.607 -1.498) 13.404 3.772 ( 1.082 1.100 0.581) 1.649 4.164 ( -0.026 0.936 0.450) 1.039 7.860 ( -1.950 6.181 -1.774) 6.720 7.898 ( 5.232 -2.860 -0.290) 5.970 8.596 ( 7.889 15.786 0.022) 17.648 10.423 ( 6.335 9.767 0.020) 11.641 11.511 ( 1.473 0.190 1.978) 2.473 12.001 ( -4.398 -4.834 -1.171) 6.640 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 2.367 3.033 -0.379) 3.866 2.496 ( 1.435 0.318 -1.286) 1.953 2.974 ( 0.169 9.733 -0.650) 9.757 3.128 ( 2.269 10.677 1.508) 11.020 3.769 ( -2.208 -0.223 -1.721) 2.809 4.178 ( 4.591 -5.823 1.894) 7.654 7.790 ( -8.394 11.271 -3.004) 14.371 7.990 ( 6.359 -6.832 0.450) 9.345 8.916 ( 9.027 15.739 1.210) 18.184 10.625 ( 4.378 13.200 -0.163) 13.908 11.462 ( -6.914 -1.870 -2.533) 7.597 11.921 ( 3.734 -9.743 2.548) 10.741 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.000 6.325 0.419) 6.339 2.064 ( -0.000 9.978 -4.211) 10.830 2.269 ( 0.000 7.163 5.863) 9.256 2.614 ( -0.000 1.176 -7.123) 7.219 3.626 ( 0.000 12.069 0.614) 12.085 4.067 ( 0.000 14.786 4.288) 15.396 6.463 ( 0.000 1.081 1.257) 1.658 8.356 ( -0.000 11.309 -9.161) 14.554 8.940 ( -0.000 17.203 -1.220) 17.246 9.382 ( 0.000 -5.051 15.644) 16.439 11.352 ( -0.000 -0.472 -0.446) 0.649 12.395 ( -0.000 2.570 -5.801) 6.345 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -1.020 7.027 -1.521) 7.261 2.246 ( 10.474 8.062 -3.850) 13.767 2.377 ( 2.562 6.235 4.314) 8.003 2.610 ( 0.688 0.517 -2.704) 2.838 3.723 ( -0.584 8.358 0.411) 8.388 4.208 ( -1.708 14.078 2.409) 14.384 6.631 ( 17.419 0.962 0.459) 17.451 8.419 ( -0.361 8.455 -8.501) 11.995 8.792 ( -23.750 10.235 4.559) 26.261 9.658 ( 21.088 0.168 8.935) 22.904 11.367 ( 0.644 2.160 1.339) 2.621 12.364 ( -4.262 2.283 -5.656) 7.441 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 0.958 6.691 -0.797) 6.806 2.471 ( 0.906 3.539 1.329) 3.888 2.523 ( 14.199 6.723 -3.342) 16.062 2.662 ( 5.192 2.828 1.610) 6.128 3.770 ( -1.265 4.445 0.547) 4.654 4.284 ( -4.372 10.783 0.262) 11.639 7.023 ( 26.959 -0.233 -0.212) 26.961 8.402 ( -9.233 -1.266 -1.129) 9.388 8.574 ( -12.028 17.347 -0.311) 21.111 10.025 ( 17.656 3.047 5.249) 18.670 11.415 ( 1.597 1.767 3.078) 3.892 12.265 ( -7.673 1.721 -5.166) 9.409 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 1.594 5.378 0.050) 5.610 2.491 ( -0.872 1.415 1.160) 2.027 2.777 ( 9.993 4.057 -0.400) 10.793 2.874 ( 12.281 7.504 -0.175) 14.393 3.776 ( -0.967 0.544 1.163) 1.608 4.270 ( -6.781 6.295 -1.404) 9.358 7.469 ( 25.185 -1.847 0.507) 25.257 8.172 ( -13.933 0.473 1.938) 14.075 8.669 ( 1.567 16.468 -2.522) 16.734 10.346 ( 13.331 6.955 2.328) 15.215 11.460 ( 2.251 -2.158 3.747) 4.875 12.112 ( -10.025 0.656 -4.317) 10.935 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -0.000 5.951 -2.493) 6.453 2.205 ( -0.000 7.644 -5.127) 9.204 2.426 ( 0.000 5.360 4.116) 6.758 2.603 ( 0.000 0.016 0.420) 0.421 3.803 ( 0.000 6.301 0.530) 6.323 4.366 ( 0.000 13.356 0.785) 13.379 6.495 ( 0.000 1.503 0.098) 1.506 8.464 ( -0.000 6.196 -8.615) 10.612 9.252 ( 0.000 14.815 0.425) 14.821 9.347 ( 0.000 -7.631 14.552) 16.432 11.400 ( 0.000 4.125 2.141) 4.647 12.405 ( -0.000 2.217 -5.966) 6.365 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -0.100 6.419 -1.353) 6.561 2.351 ( 9.998 5.778 -4.810) 12.509 2.502 ( 1.728 4.016 3.177) 5.404 2.618 ( 1.848 0.250 2.319) 2.976 3.840 ( -1.679 3.737 0.657) 4.149 4.457 ( -3.253 10.528 -1.028) 11.067 6.652 ( 16.475 0.953 -0.424) 16.508 8.476 ( -2.367 3.485 -6.772) 7.975 8.988 ( -19.743 5.482 7.107) 21.688 9.730 ( 21.697 2.660 6.066) 22.685 11.446 ( -0.508 3.747 3.309) 5.024 12.371 ( -4.288 2.097 -5.860) 7.558 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 0.570 5.558 0.390) 5.601 2.533 ( -0.057 2.461 1.882) 3.099 2.603 ( 12.237 3.174 -1.998) 12.799 2.732 ( 9.746 2.625 1.746) 10.243 3.825 ( -3.065 0.979 1.055) 3.386 4.451 ( -6.778 6.881 -2.608) 10.004 7.027 ( 25.749 0.497 0.537) 25.759 8.366 ( -10.152 -1.462 -2.053) 10.461 8.853 ( -7.095 10.890 3.205) 13.387 10.122 ( 19.617 3.556 3.504) 20.243 11.460 ( -1.857 0.263 4.107) 4.515 12.269 ( -8.020 2.074 -5.415) 9.897 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -0.000 5.914 -0.160) 5.916 2.300 ( -0.000 5.180 -4.584) 6.917 2.520 ( 0.000 2.484 1.393) 2.848 2.619 ( 0.000 0.220 3.940) 3.946 3.889 ( 0.000 2.346 0.890) 2.510 4.573 ( -0.000 8.133 -2.436) 8.490 6.512 ( -0.000 0.479 -1.425) 1.503 8.519 ( -0.000 4.833 -6.807) 8.348 9.282 ( 0.000 -7.123 12.650) 14.517 9.509 ( 0.000 10.445 2.149) 10.664 11.504 ( 0.000 3.732 3.993) 5.465 12.409 ( -0.000 2.061 -6.092) 6.431 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.085 4.986 1.526) 5.215 2.412 ( 9.102 3.167 -4.146) 10.491 2.575 ( 2.946 2.159 1.572) 3.977 2.641 ( 1.758 0.363 3.717) 4.128 3.886 ( -2.424 0.598 1.154) 2.750 4.593 ( -4.014 4.826 -3.708) 7.291 6.657 ( 16.946 -0.035 -1.277) 16.994 8.494 ( -6.189 2.156 -5.056) 8.277 9.105 ( -11.422 2.447 9.221) 14.882 9.821 ( 19.161 2.872 3.627) 19.712 11.524 ( -2.367 1.137 4.473) 5.186 12.376 ( -4.104 2.191 -5.925) 7.533 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 0.000 3.039 2.670) 4.045 2.346 ( -0.000 2.052 -4.394) 4.849 2.542 ( -0.000 -0.438 -0.143) 0.461 2.670 ( 0.000 2.718 5.072) 5.754 3.912 ( 0.000 -0.570 1.337) 1.454 4.647 ( -0.000 1.725 -4.629) 4.940 6.493 ( -0.000 -1.155 -2.498) 2.752 8.568 ( -0.000 3.577 -5.191) 6.304 9.257 ( 0.000 -2.103 11.455) 11.647 9.671 ( 0.000 4.298 3.226) 5.374 11.564 ( 0.000 -0.872 4.610) 4.692 12.413 ( -0.000 2.277 -6.018) 6.434 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 0.000 -0.000 16.840) 16.840 0.869 ( 0.000 -0.000 16.840) 16.840 1.792 ( 0.000 -0.000 33.172) 33.172 1.977 ( -0.000 0.000 -8.175) 8.175 1.977 ( -0.000 0.000 -8.175) 8.175 4.270 ( -0.000 0.000 -14.439) 14.439 6.864 ( -0.000 0.000 -3.328) 3.328 6.864 ( -0.000 0.000 -3.328) 3.328 7.469 ( 0.000 -0.000 2.505) 2.505 7.469 ( 0.000 -0.000 2.505) 2.505 12.342 ( 0.000 -0.000 1.874) 1.874 12.379 ( 0.000 -0.000 1.389) 1.389 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 3.667 2.117 15.578) 16.143 1.122 ( 11.639 6.720 17.317) 21.920 1.859 ( 1.588 0.917 9.714) 9.885 2.027 ( 4.066 2.348 -7.761) 9.071 2.083 ( 10.938 6.315 8.308) 15.118 4.057 ( -10.504 -6.065 -9.558) 15.442 6.822 ( -5.220 -3.014 -3.445) 6.942 6.965 ( 13.129 7.580 -5.210) 16.030 7.528 ( 8.198 4.733 3.133) 9.971 8.136 ( 43.612 25.179 -8.070) 51.001 12.183 ( -13.985 -8.074 2.530) 16.345 12.364 ( -1.475 -0.852 0.713) 1.846 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 8.248 4.762 13.392) 16.433 1.365 ( 3.911 2.258 21.912) 22.373 2.038 ( 13.906 8.029 -6.741) 17.415 2.108 ( 5.037 2.908 -6.841) 8.980 2.433 ( 16.570 9.567 11.290) 22.216 3.856 ( -4.785 -2.763 -6.524) 8.549 6.671 ( -6.494 -3.750 -2.130) 7.796 7.316 ( 18.006 10.396 -6.258) 21.713 7.797 ( 14.063 8.119 2.561) 16.440 9.059 ( 38.232 22.073 -10.376) 45.350 11.797 ( -19.561 -11.293 2.853) 22.766 12.322 ( -2.135 -1.233 -0.070) 2.466 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 10.378 5.992 11.177) 16.387 1.491 ( 3.062 1.768 18.819) 19.148 2.206 ( 5.349 3.088 -5.631) 8.358 2.359 ( 15.090 8.712 -10.495) 20.341 2.858 ( 17.803 10.278 8.571) 22.272 3.803 ( 1.433 0.828 -3.486) 3.859 6.541 ( -4.450 -2.569 -0.689) 5.184 7.686 ( 15.820 9.134 -4.769) 18.880 8.152 ( 16.630 9.601 1.770) 19.284 9.737 ( 24.505 14.148 -11.432) 30.518 11.383 ( -17.039 -9.838 5.345) 20.388 12.277 ( -1.588 -0.917 -0.417) 1.880 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 10.568 6.102 9.205) 15.286 1.642 ( 6.011 3.471 13.142) 14.862 2.309 ( 5.076 2.931 -4.337) 7.292 2.598 ( 8.642 4.989 -10.625) 14.576 3.258 ( 15.543 8.974 5.637) 18.812 3.901 ( 7.603 4.389 -0.446) 8.790 6.471 ( -1.828 -1.055 0.641) 2.206 7.982 ( 11.295 6.521 -1.384) 13.116 8.543 ( 17.509 10.109 0.689) 20.230 10.045 ( 6.249 3.608 -20.404) 21.642 11.144 ( -5.001 -2.887 12.381) 13.661 12.255 ( -0.369 -0.213 0.389) 0.577 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 7.861 4.538 7.813) 11.976 1.888 ( 9.433 5.446 7.525) 13.239 2.404 ( 4.315 2.491 -3.076) 5.855 2.689 ( 2.786 1.608 -9.523) 10.052 3.579 ( 11.534 6.659 3.645) 13.808 4.114 ( 10.554 6.094 1.101) 12.237 6.458 ( 0.108 0.062 1.613) 1.618 8.189 ( 7.262 4.192 2.392) 8.719 8.930 ( 16.661 9.619 -0.571) 19.247 9.932 ( -7.717 -4.455 -22.409) 24.115 11.219 ( 6.382 3.685 10.019) 12.437 12.263 ( 0.652 0.377 2.516) 2.626 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 8.034 4.638 3.290) 9.843 2.100 ( 7.427 4.288 6.145) 10.550 2.480 ( 3.121 1.802 -1.861) 4.056 2.690 ( 0.162 0.093 -7.782) 7.784 3.792 ( 6.735 3.889 1.541) 7.928 4.352 ( 9.648 5.570 2.363) 11.388 6.476 ( 0.752 0.434 2.128) 2.299 8.337 ( 5.194 2.999 4.872) 7.727 9.273 ( 13.924 8.039 -1.779) 16.176 9.657 ( -9.994 -5.770 -18.155) 21.512 11.406 ( 7.480 4.318 1.997) 8.865 12.297 ( 1.287 0.743 5.065) 5.278 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 6.533 3.772 -0.374) 7.553 2.256 ( 4.844 2.797 5.044) 7.532 2.529 ( 1.515 0.875 -0.701) 1.885 2.666 ( -0.029 -0.017 -6.050) 6.050 3.895 ( 2.482 1.433 -0.427) 2.897 4.544 ( 6.332 3.656 3.739) 8.212 6.495 ( 0.182 0.105 2.335) 2.345 8.462 ( 4.565 2.636 5.527) 7.638 9.405 ( -7.494 -4.326 -13.910) 16.382 9.531 ( 9.435 5.447 -2.713) 11.227 11.538 ( 4.132 2.386 -3.370) 5.841 12.350 ( 1.807 1.043 6.501) 6.828 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.000 8.596 14.674) 17.006 1.097 ( 0.000 13.518 14.983) 20.180 1.895 ( -0.000 -0.142 -8.004) 8.005 1.966 ( 0.000 4.698 10.826) 11.801 2.134 ( 0.000 12.351 6.802) 14.100 4.030 ( -0.000 -11.248 -10.303) 15.254 6.726 ( -0.000 -7.494 -1.105) 7.575 6.956 ( -0.000 10.698 -3.758) 11.339 7.666 ( -0.000 12.917 -0.021) 12.917 8.013 ( -0.000 44.212 -4.846) 44.477 12.212 ( 0.000 -12.790 1.530) 12.882 12.372 ( 0.000 -1.088 0.426) 1.169 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.417 11.993 12.462) 17.301 1.387 ( 6.836 8.240 18.459) 21.340 1.911 ( 5.123 4.124 -6.820) 9.474 2.085 ( 3.196 9.326 -4.647) 10.898 2.365 ( 8.637 13.810 11.538) 19.961 3.864 ( -3.572 -6.726 -7.440) 10.647 6.859 ( 14.232 -1.832 -3.484) 14.766 6.935 ( -5.636 8.272 -1.842) 10.178 7.832 ( 3.678 17.542 0.332) 17.926 8.701 ( 29.160 33.023 -6.570) 44.542 11.969 ( -12.382 -13.774 1.047) 18.551 12.343 ( -1.827 -1.378 -0.251) 2.302 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 4.186 11.495 10.011) 15.808 1.558 ( 0.887 4.836 20.154) 20.745 2.096 ( 10.398 5.021 -6.572) 13.286 2.242 ( 6.572 13.053 -10.693) 18.109 2.730 ( 13.729 13.876 9.175) 21.569 3.773 ( 0.189 -1.587 -4.466) 4.743 6.775 ( -15.815 14.591 -1.969) 21.608 7.274 ( 29.715 -5.597 -2.981) 30.384 8.088 ( 7.041 14.668 0.892) 16.295 9.432 ( 26.836 20.304 -6.972) 34.366 11.598 ( -16.542 -10.192 2.224) 19.556 12.292 ( -1.958 -1.531 -0.645) 2.567 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 6.013 7.050 8.923) 12.864 1.707 ( 2.225 10.903 15.073) 18.736 2.255 ( 5.331 5.736 -5.679) 9.674 2.469 ( 9.413 8.197 -10.323) 16.197 3.119 ( 14.257 11.671 5.882) 19.341 3.818 ( 5.611 2.643 -1.601) 6.406 6.670 ( -13.094 15.137 -0.517) 20.021 7.711 ( 25.859 -1.018 -2.369) 25.988 8.347 ( 11.208 6.379 1.269) 12.959 9.902 ( 13.296 10.800 -12.728) 21.341 11.293 ( -11.399 -3.469 7.227) 13.936 12.252 ( -0.651 -1.562 -0.172) 1.700 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 6.903 4.912 7.757) 11.487 1.923 ( 3.349 14.154 9.851) 17.567 2.370 ( 3.615 6.089 -5.154) 8.758 2.614 ( 4.978 2.855 -8.527) 10.278 3.457 ( 12.289 8.180 3.921) 15.274 3.990 ( 10.074 4.809 -0.080) 11.163 6.625 ( -10.133 15.514 0.530) 18.537 8.074 ( 14.897 4.065 0.863) 15.466 8.609 ( 18.789 -4.045 -0.666) 19.231 10.001 ( -3.973 6.270 -18.197) 19.652 11.230 ( 0.026 3.256 9.832) 10.357 12.243 ( 1.269 -1.866 1.644) 2.792 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 7.360 4.826 4.700) 9.977 2.135 ( 2.421 13.559 7.111) 15.501 2.464 ( 2.482 5.385 -4.151) 7.238 2.656 ( 1.343 0.720 -6.653) 6.825 3.705 ( 8.610 4.286 2.191) 9.864 4.222 ( 11.426 4.139 0.947) 12.189 6.625 ( -8.245 15.450 1.071) 17.545 8.294 ( 6.069 4.295 4.743) 8.819 8.882 ( 22.312 -11.466 -4.927) 25.565 9.878 ( -11.704 10.670 -14.401) 21.406 11.348 ( 5.053 4.583 3.929) 7.872 12.267 ( 2.843 -2.337 4.214) 5.595 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 6.686 4.186 1.337) 8.001 2.304 ( 0.528 11.857 5.368) 13.026 2.531 ( 1.404 4.049 -2.925) 5.189 2.651 ( -0.391 0.937 -4.887) 4.992 3.843 ( 4.616 0.716 0.144) 4.673 4.441 ( 9.922 1.878 2.455) 10.393 6.644 ( -7.772 15.040 1.217) 16.973 8.417 ( 4.188 0.733 5.904) 7.276 9.062 ( 15.895 -14.717 -8.637) 23.320 9.793 ( -10.120 18.180 -7.496) 22.116 11.472 ( 4.699 2.211 -2.086) 5.597 12.316 ( 3.727 -2.507 5.993) 7.489 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.000 11.289 10.168) 15.193 1.459 ( 0.000 12.092 15.072) 19.323 1.885 ( -0.000 3.432 -4.887) 5.972 2.156 ( -0.000 13.512 -7.009) 15.221 2.480 ( 0.000 17.228 10.576) 20.215 3.802 ( -0.000 -6.367 -6.270) 8.936 6.588 ( 0.000 -6.205 0.422) 6.220 7.260 ( -0.000 21.564 -3.876) 21.909 7.943 ( -0.000 15.841 -1.840) 15.948 8.764 ( -0.000 32.031 0.225) 32.032 11.924 ( -0.000 -15.728 -1.485) 15.798 12.348 ( -0.000 -0.817 -1.366) 1.592 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -0.557 12.062 6.771) 13.844 1.646 ( 2.909 7.230 16.993) 18.695 1.978 ( 7.226 6.317 -4.033) 10.411 2.279 ( 1.605 14.695 -12.522) 19.374 2.744 ( 6.338 18.287 8.791) 21.257 3.740 ( 0.113 -1.960 -3.410) 3.935 6.735 ( 22.181 -5.717 -0.304) 22.908 7.277 ( -18.691 23.269 -3.057) 30.003 8.141 ( 4.048 14.625 -1.222) 15.224 9.226 ( 19.514 21.192 2.450) 28.912 11.698 ( -8.003 -12.918 -2.195) 15.354 12.315 ( -2.284 -0.526 -1.969) 3.061 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 1.700 8.672 5.837) 10.591 1.828 ( 3.096 11.237 14.927) 18.939 2.177 ( 8.926 6.479 -4.949) 12.088 2.415 ( 3.833 11.236 -11.805) 16.742 3.069 ( 9.093 15.880 5.426) 19.087 3.763 ( 3.212 2.661 -0.764) 4.240 7.142 ( 12.990 6.878 -2.922) 14.986 7.171 ( -1.536 12.945 -0.071) 13.036 8.310 ( 3.020 7.841 0.097) 8.403 9.728 ( 17.936 12.319 -0.923) 21.778 11.444 ( -9.157 -6.155 0.469) 11.043 12.260 ( -2.431 -0.914 -1.732) 3.122 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 3.955 6.953 5.716) 9.832 2.053 ( 3.258 14.843 11.039) 18.783 2.347 ( 5.428 7.419 -7.472) 11.846 2.541 ( 4.730 5.099 -7.165) 9.986 3.373 ( 9.470 11.292 3.262) 15.094 3.889 ( 6.960 5.052 0.211) 8.603 7.072 ( -18.172 25.145 -0.452) 31.028 7.665 ( 32.386 -2.276 -1.540) 32.502 8.399 ( 3.555 -0.710 0.480) 3.657 10.016 ( 6.091 7.666 -7.347) 12.241 11.318 ( -3.641 1.479 4.917) 6.295 12.214 ( -0.676 -2.201 -0.392) 2.335 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 5.404 6.230 4.225) 9.267 2.277 ( 1.970 15.278 8.209) 17.455 2.460 ( 2.711 6.883 -7.960) 10.867 2.626 ( 2.745 3.305 -3.809) 5.742 3.618 ( 8.065 6.254 2.199) 10.440 4.078 ( 9.655 3.965 0.214) 10.439 7.031 ( -15.544 24.612 0.193) 29.110 8.153 ( 24.146 2.643 0.263) 24.292 8.433 ( 7.918 -10.179 -1.547) 12.989 10.077 ( -3.680 9.382 -8.976) 13.495 11.356 ( 1.312 4.956 3.962) 6.479 12.197 ( 2.105 -4.083 2.149) 5.072 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 5.617 5.084 1.972) 7.829 2.454 ( 0.707 11.378 4.711) 12.335 2.530 ( 0.673 6.511 -4.527) 7.959 2.684 ( -0.051 6.319 -2.853) 6.934 3.770 ( 4.949 1.550 0.561) 5.216 4.279 ( 10.774 0.936 1.180) 10.879 7.022 ( -13.525 23.426 0.062) 27.050 8.378 ( 1.754 -2.564 3.712) 4.840 8.598 ( 22.931 -7.503 -5.070) 24.654 10.079 ( -6.245 14.790 -6.248) 17.227 11.435 ( 1.804 3.223 -0.956) 3.815 12.219 ( 4.641 -5.472 4.690) 8.572 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.000 11.798 2.511) 12.062 1.722 ( 0.000 6.768 11.278) 13.153 1.972 ( 0.000 6.562 1.459) 6.722 2.371 ( -0.000 14.106 -14.062) 19.918 2.911 ( 0.000 20.652 6.949) 21.790 3.724 ( -0.000 1.011 -0.763) 1.266 6.497 ( 0.000 -3.558 1.192) 3.753 7.681 ( -0.000 22.934 -4.649) 23.401 8.253 ( -0.000 17.465 -2.596) 17.657 9.247 ( 0.000 14.542 10.829) 18.131 11.620 ( -0.000 -12.712 -4.673) 13.544 12.331 ( -0.000 0.616 -3.373) 3.429 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -1.525 9.241 1.140) 9.436 1.885 ( 6.278 8.743 8.618) 13.788 2.098 ( 5.625 7.102 0.512) 9.075 2.457 ( 0.621 10.699 -11.792) 15.934 3.155 ( 3.148 19.062 3.784) 19.687 3.766 ( 1.181 5.412 1.617) 5.770 6.652 ( 20.325 -2.865 0.562) 20.534 7.733 ( -16.087 24.456 -3.787) 29.517 8.388 ( -2.099 11.668 -1.270) 11.923 9.550 ( 15.886 8.410 10.374) 20.753 11.468 ( -3.100 -8.105 -4.111) 9.603 12.302 ( -2.880 0.962 -3.651) 4.749 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 1.249 7.885 1.702) 8.163 2.131 ( 7.236 11.572 8.760) 16.218 2.274 ( 7.717 6.727 -5.450) 11.598 2.528 ( 1.390 6.486 -6.421) 9.232 3.391 ( 4.299 14.448 1.453) 15.144 3.872 ( 2.742 7.885 1.999) 8.584 7.073 ( 31.319 -2.704 -0.645) 31.442 7.665 ( -19.866 27.078 -1.398) 33.613 8.406 ( -2.796 2.520 -0.307) 3.777 9.904 ( 13.668 5.163 4.389) 15.256 11.370 ( -1.393 -1.396 -0.679) 2.086 12.238 ( -3.892 0.049 -2.863) 4.832 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 3.414 7.113 1.664) 8.063 2.363 ( 3.987 8.421 6.562) 11.396 2.458 ( 6.976 10.977 -7.330) 14.929 2.602 ( 2.984 4.425 -1.447) 5.530 3.585 ( 4.798 8.937 0.828) 10.177 4.008 ( 4.183 6.490 0.809) 7.764 7.566 ( 1.957 13.199 -1.230) 13.400 7.626 ( 11.964 10.430 0.060) 15.872 8.369 ( -1.334 -1.480 -0.180) 2.000 10.119 ( 5.496 5.626 -0.788) 7.904 11.391 ( 1.619 3.504 1.721) 4.226 12.164 ( -2.500 -2.424 -1.003) 3.624 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 4.235 5.843 0.989) 7.283 2.460 ( 1.961 1.866 -1.154) 2.943 2.657 ( 1.312 13.985 2.886) 14.340 2.719 ( 4.414 8.447 -2.984) 9.986 3.723 ( 3.643 3.790 0.351) 5.269 4.140 ( 6.449 2.144 0.274) 6.801 7.520 ( -17.326 23.513 0.683) 29.215 8.063 ( 24.468 -9.596 -3.662) 26.537 8.386 ( 4.465 5.513 2.451) 7.505 10.232 ( 0.785 9.891 -2.529) 10.239 11.460 ( 0.482 4.344 -0.378) 4.387 12.112 ( 1.326 -5.887 1.992) 6.355 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -0.000 11.097 -4.226) 11.874 1.875 ( 0.000 5.233 1.760) 5.521 2.142 ( 0.000 7.740 6.240) 9.942 2.511 ( -0.000 7.644 -8.564) 11.479 3.326 ( 0.000 18.384 1.373) 18.435 3.838 ( 0.000 9.514 3.531) 10.148 6.463 ( 0.000 -0.850 1.167) 1.444 8.049 ( -0.000 17.611 -6.180) 18.664 8.587 ( -0.000 18.257 -2.160) 18.385 9.484 ( 0.000 1.416 17.626) 17.682 11.402 ( -0.000 -5.927 -5.293) 7.947 12.331 ( -0.000 1.927 -4.787) 5.160 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -1.396 7.805 -2.578) 8.338 2.069 ( 10.554 8.579 -3.317) 14.000 2.259 ( 2.653 7.285 5.151) 9.308 2.555 ( 0.458 4.745 -3.651) 6.005 3.498 ( 0.795 14.639 -0.330) 14.664 3.958 ( 0.022 11.899 3.320) 12.353 6.625 ( 18.594 -0.422 0.450) 18.604 8.133 ( -6.815 18.360 -5.501) 20.342 8.596 ( -14.084 10.638 0.954) 17.676 9.702 ( 15.877 0.284 13.521) 20.856 11.351 ( 0.387 -1.293 -3.453) 3.707 12.305 ( -3.499 1.875 -4.746) 6.187 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 1.643 7.492 -1.876) 7.897 2.350 ( 13.252 8.815 -6.683) 17.262 2.390 ( 3.075 6.299 6.210) 9.364 2.606 ( 1.898 3.730 0.423) 4.206 3.631 ( 1.075 9.877 -0.717) 9.961 4.072 ( -0.841 10.783 1.501) 10.919 7.034 ( 29.190 -1.121 -0.419) 29.215 8.161 ( -13.835 23.808 -1.319) 27.568 8.423 ( -9.681 -0.084 0.493) 9.694 10.003 ( 13.527 1.844 7.056) 15.367 11.377 ( 2.677 2.208 -0.564) 3.516 12.225 ( -5.711 0.751 -3.824) 6.914 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -0.000 5.802 -4.689) 7.460 2.016 ( -0.000 9.900 -6.034) 11.594 2.323 ( 0.000 6.662 5.557) 8.675 2.582 ( 0.000 2.774 0.285) 2.789 3.624 ( -0.000 12.248 -1.012) 12.290 4.099 ( 0.000 13.948 2.671) 14.202 6.470 ( 0.000 0.908 0.298) 0.956 8.280 ( -0.000 10.536 -7.280) 12.806 8.931 ( -0.000 17.795 -0.694) 17.808 9.543 ( 0.000 -6.332 19.033) 20.058 11.337 ( -0.000 1.748 -2.999) 3.471 12.342 ( -0.000 2.299 -5.533) 5.992 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -0.291 7.492 -4.009) 8.502 2.198 ( 10.737 8.057 -6.303) 14.830 2.421 ( 2.336 5.643 4.952) 7.863 2.612 ( 0.702 1.537 2.791) 3.262 3.720 ( -0.588 8.890 -0.993) 8.964 4.223 ( -1.934 12.956 0.792) 13.123 6.632 ( 17.273 0.812 -0.321) 17.295 8.348 ( 0.232 8.166 -6.819) 10.641 8.836 ( -22.712 11.638 4.954) 25.996 9.755 ( 18.467 -2.138 12.004) 22.129 11.370 ( 1.092 4.103 -0.893) 4.339 12.312 ( -3.932 2.009 -5.422) 6.993 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -0.000 7.270 -3.749) 8.180 2.155 ( -0.000 8.069 -5.734) 9.898 2.458 ( 0.000 4.418 2.939) 5.306 2.630 ( 0.000 0.481 4.998) 5.021 3.803 ( -0.000 6.936 -0.609) 6.962 4.366 ( -0.000 12.170 -0.778) 12.195 6.491 ( -0.000 1.181 -1.105) 1.617 8.392 ( -0.000 6.246 -6.943) 9.339 9.259 ( 0.000 15.449 1.194) 15.495 9.494 ( 0.000 -9.507 16.983) 19.463 11.412 ( 0.000 6.007 0.477) 6.026 12.349 ( -0.000 2.088 -6.037) 6.387 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.000 -0.000 14.844) 14.844 1.016 ( 0.000 -0.000 14.844) 14.844 1.899 ( -0.000 0.000 -8.620) 8.620 1.899 ( -0.000 0.000 -8.620) 8.620 2.076 ( 0.000 -0.000 28.017) 28.017 4.135 ( -0.000 0.000 -14.554) 14.554 6.836 ( -0.000 0.000 -2.590) 2.590 6.836 ( -0.000 0.000 -2.590) 2.590 7.490 ( 0.000 -0.000 1.908) 1.908 7.490 ( 0.000 -0.000 1.908) 1.908 12.359 ( 0.000 -0.000 1.764) 1.764 12.390 ( 0.000 -0.000 0.955) 0.955 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 3.200 1.848 13.972) 14.452 1.271 ( 13.528 7.811 14.497) 21.311 1.856 ( 0.702 0.405 -5.550) 5.609 1.950 ( 4.399 2.540 -8.628) 10.012 2.233 ( 7.667 4.426 19.258) 21.196 3.964 ( -8.395 -4.847 -10.209) 14.078 6.791 ( -4.930 -2.846 -3.366) 6.613 6.925 ( 11.838 6.835 -3.511) 14.113 7.559 ( 8.173 4.719 3.504) 10.067 8.075 ( 40.065 23.132 -5.405) 46.578 12.205 ( -13.658 -7.885 2.141) 15.916 12.370 ( -1.704 -0.984 0.563) 2.047 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 7.530 4.347 12.224) 15.000 1.563 ( 4.706 2.717 20.968) 21.661 1.954 ( 12.272 7.085 -10.678) 17.743 2.038 ( 5.608 3.238 -8.043) 10.326 2.538 ( 14.789 8.539 10.505) 20.050 3.796 ( -3.620 -2.090 -6.296) 7.557 6.650 ( -5.901 -3.407 -2.389) 7.220 7.266 ( 17.949 10.363 -4.520) 21.214 7.825 ( 13.703 7.911 3.374) 16.178 8.967 ( 37.724 21.780 -9.352) 44.553 11.826 ( -19.070 -11.010 3.352) 22.274 12.323 ( -2.350 -1.357 0.210) 2.722 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 9.669 5.582 10.246) 15.154 1.660 ( 1.126 0.650 17.159) 17.208 2.147 ( 6.051 3.493 -7.019) 9.904 2.266 ( 15.165 8.755 -9.006) 19.691 2.926 ( 16.773 9.684 5.866) 20.237 3.769 ( 2.657 1.534 -3.547) 4.690 6.533 ( -3.837 -2.215 -1.103) 4.565 7.652 ( 16.699 9.641 -2.620) 19.459 8.173 ( 16.112 9.302 2.592) 18.784 9.618 ( 22.198 12.816 -13.982) 29.197 11.442 ( -15.048 -8.688 7.026) 18.743 12.278 ( -1.514 -0.874 0.488) 1.815 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 9.952 5.746 8.446) 14.261 1.762 ( 3.992 2.305 12.195) 13.037 2.262 ( 5.815 3.357 -5.753) 8.842 2.512 ( 8.578 4.952 -7.415) 12.373 3.302 ( 15.040 8.683 3.763) 17.769 3.890 ( 8.495 4.905 -1.836) 9.980 6.474 ( -1.300 -0.751 -0.003) 1.502 7.981 ( 12.605 7.278 1.131) 14.599 8.552 ( 16.887 9.750 1.411) 19.550 9.851 ( 3.754 2.168 -21.259) 21.696 11.252 ( -3.876 -2.238 10.798) 11.689 12.266 ( 0.171 0.099 2.039) 2.049 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 5.941 3.430 7.787) 10.378 1.956 ( 8.918 5.149 6.964) 12.431 2.369 ( 5.041 2.911 -4.385) 7.288 2.614 ( 2.927 1.690 -6.218) 7.077 3.608 ( 10.970 6.334 2.489) 12.909 4.115 ( 11.316 6.533 -0.852) 13.094 6.468 ( 0.494 0.285 0.713) 0.913 8.223 ( 8.252 4.764 4.913) 10.720 8.927 ( 16.029 9.255 0.062) 18.509 9.730 ( -6.575 -3.796 -21.294) 22.607 11.294 ( 3.830 2.211 6.253) 7.659 12.295 ( 1.411 0.814 4.386) 4.679 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.000 7.726 10.769) 13.254 1.229 ( 0.000 13.559 13.589) 19.197 1.827 ( -0.000 0.657 -6.262) 6.297 1.949 ( -0.000 7.166 -7.904) 10.669 2.283 ( 0.000 6.379 18.454) 19.525 3.935 ( -0.000 -8.972 -9.903) 13.363 6.721 ( -0.000 -6.896 -0.073) 6.896 6.925 ( -0.000 10.605 -2.942) 11.005 7.660 ( -0.000 12.136 -1.145) 12.190 7.986 ( -0.000 42.008 -1.245) 42.027 12.225 ( 0.000 -13.510 1.100) 13.555 12.375 ( 0.000 -1.593 0.271) 1.616 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -0.098 10.252 9.830) 14.204 1.547 ( 10.329 9.929 15.596) 21.178 1.850 ( 3.193 3.951 -5.641) 7.592 2.011 ( 1.887 8.458 -10.127) 13.328 2.477 ( 7.489 11.285 11.213) 17.583 3.798 ( -2.797 -5.308 -6.315) 8.711 6.833 ( 9.129 0.698 -2.185) 9.413 6.920 ( -1.762 6.728 -1.332) 7.081 7.835 ( 5.011 16.209 0.418) 16.971 8.653 ( 26.756 35.096 -3.844) 44.299 11.978 ( -11.428 -15.049 0.817) 18.914 12.341 ( -1.726 -1.996 -0.091) 2.640 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 4.583 9.531 8.111) 13.328 1.735 ( 0.017 3.620 17.472) 17.844 2.037 ( 10.674 6.515 -5.882) 13.819 2.138 ( 7.217 12.210 -11.223) 18.086 2.800 ( 12.620 13.086 5.703) 19.053 3.736 ( 0.789 -0.345 -3.450) 3.555 6.757 ( -15.118 14.701 -1.752) 21.160 7.253 ( 28.887 -4.804 -1.485) 29.321 8.100 ( 7.824 13.747 1.467) 15.885 9.367 ( 23.323 22.822 -6.977) 33.369 11.622 ( -14.232 -11.240 2.895) 18.365 12.289 ( -1.661 -2.051 -0.014) 2.639 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 6.649 6.199 6.856) 11.386 1.839 ( 0.486 9.425 12.555) 15.706 2.195 ( 5.590 5.799 -7.335) 10.895 2.392 ( 10.098 8.034 -5.540) 14.043 3.161 ( 13.809 11.363 3.080) 18.146 3.801 ( 5.947 3.635 -2.033) 7.260 6.664 ( -12.557 15.306 -0.671) 19.809 7.699 ( 26.597 -0.981 -0.262) 26.617 8.360 ( 11.197 5.783 1.561) 12.699 9.779 ( 8.120 12.916 -13.581) 20.425 11.361 ( -8.328 -4.238 7.132) 11.755 12.257 ( 0.111 -1.879 1.156) 2.209 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 6.930 3.665 6.003) 9.874 2.010 ( 1.956 13.557 8.603) 16.175 2.316 ( 4.672 5.667 -6.459) 9.780 2.556 ( 4.769 3.224 -3.648) 6.816 3.486 ( 12.076 7.977 2.271) 14.650 3.981 ( 10.349 5.476 -1.803) 11.847 6.627 ( -9.733 15.596 0.027) 18.384 8.093 ( 17.025 3.796 3.243) 17.742 8.603 ( 17.523 -5.397 -0.718) 18.349 9.841 ( -6.084 9.990 -16.419) 20.160 11.305 ( -0.397 1.517 6.554) 6.739 12.267 ( 2.376 -2.003 3.441) 4.637 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 9.880 2.816) 10.274 1.595 ( 0.000 12.206 14.491) 18.947 1.862 ( 0.000 4.922 0.372) 4.936 2.057 ( -0.000 11.219 -13.440) 17.507 2.576 ( 0.000 15.205 8.882) 17.609 3.751 ( -0.000 -4.500 -4.269) 6.203 6.595 ( 0.000 -6.013 1.185) 6.129 7.232 ( -0.000 21.049 -2.053) 21.149 7.921 ( -0.000 15.614 -2.820) 15.867 8.781 ( 0.000 35.585 3.356) 35.743 11.907 ( -0.000 -17.417 -2.085) 17.542 12.338 ( -0.000 -1.780 -0.933) 2.010 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.685 10.127 1.550) 10.268 1.789 ( 4.867 5.148 13.231) 15.008 1.958 ( 4.619 7.667 0.313) 8.956 2.156 ( 2.163 14.643 -13.423) 19.982 2.809 ( 5.660 17.146 4.923) 18.715 3.716 ( 0.227 -0.162 -1.549) 1.574 6.735 ( 21.149 -5.389 0.473) 21.830 7.255 ( -18.041 22.780 -1.681) 29.107 8.129 ( 5.218 14.284 -1.480) 15.279 9.258 ( 16.128 25.074 4.383) 30.133 11.676 ( -6.542 -14.393 -2.670) 16.034 12.301 ( -1.874 -1.504 -1.243) 2.705 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 3.201 7.710 2.070) 8.602 1.951 ( 3.255 9.156 9.970) 13.922 2.127 ( 6.674 6.629 -5.188) 10.743 2.330 ( 5.762 11.725 -5.438) 14.151 3.103 ( 8.721 15.174 1.931) 17.608 3.758 ( 2.932 4.052 -0.331) 5.012 7.123 ( 7.711 9.742 -1.013) 12.465 7.171 ( 3.756 10.113 -0.022) 10.788 8.311 ( 3.786 7.476 0.059) 8.380 9.722 ( 12.629 15.353 -0.372) 19.883 11.447 ( -6.145 -7.238 0.182) 9.496 12.249 ( -1.635 -1.724 -0.586) 2.448 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 4.905 5.964 2.390) 8.083 2.146 ( 2.742 14.336 7.404) 16.366 2.272 ( 5.206 6.702 -7.032) 11.021 2.503 ( 5.264 5.509 -0.856) 7.668 3.393 ( 9.700 10.904 0.980) 14.626 3.886 ( 6.429 5.901 -0.962) 8.779 7.070 ( -17.855 25.284 0.048) 30.953 7.658 ( 32.691 -2.826 0.002) 32.813 8.403 ( 3.536 -1.004 0.391) 3.697 9.953 ( 1.567 10.986 -6.156) 12.691 11.354 ( -1.666 0.073 2.872) 3.322 12.218 ( 0.632 -2.864 1.322) 3.217 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -0.000 10.710 -4.686) 11.691 1.802 ( 0.000 3.299 4.975) 5.970 2.011 ( 0.000 7.568 6.410) 9.918 2.252 ( -0.000 15.551 -10.254) 18.628 2.957 ( 0.000 19.300 2.853) 19.509 3.724 ( 0.000 2.895 0.891) 3.029 6.509 ( 0.000 -3.586 1.358) 3.834 7.649 ( -0.000 21.653 -2.326) 21.778 8.227 ( -0.000 17.675 -3.018) 17.931 9.358 ( 0.000 18.273 13.117) 22.494 11.570 ( -0.000 -13.595 -6.145) 14.919 12.304 ( -0.000 -0.469 -2.389) 2.435 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.300 8.941 -3.651) 9.662 1.917 ( 8.285 5.435 -2.911) 10.328 2.128 ( 2.355 7.862 6.084) 10.216 2.381 ( 1.404 12.254 -3.756) 12.893 3.174 ( 2.974 17.923 0.318) 18.171 3.782 ( 0.776 6.738 1.958) 7.059 6.658 ( 19.759 -2.904 0.682) 19.983 7.706 ( -14.896 23.420 -1.854) 27.818 8.375 ( -1.304 12.162 -1.548) 12.329 9.657 ( 11.624 10.629 12.575) 20.155 11.422 ( -1.488 -8.223 -5.886) 10.221 12.274 ( -2.303 -0.028 -2.474) 3.380 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -0.000 11.017 -7.073) 13.092 1.852 ( -0.000 3.843 -6.649) 7.680 2.204 ( 0.000 7.462 6.746) 10.060 2.472 ( 0.000 9.296 0.487) 9.309 3.326 ( -0.000 17.472 -1.345) 17.523 3.868 ( 0.000 10.112 2.872) 10.512 6.471 ( 0.000 -1.058 0.640) 1.236 8.003 ( -0.000 16.103 -3.731) 16.530 8.568 ( -0.000 18.811 -1.929) 18.910 9.659 ( 0.000 2.571 20.106) 20.269 11.340 ( -0.000 -4.793 -8.151) 9.456 12.292 ( -0.000 1.057 -3.585) 3.737 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 -0.000 11.230) 11.230 1.138 ( 0.000 -0.000 11.230) 11.230 1.823 ( -0.000 0.000 -7.482) 7.482 1.823 ( -0.000 0.000 -7.482) 7.482 2.300 ( 0.000 -0.000 19.828) 19.828 4.011 ( -0.000 0.000 -11.722) 11.722 6.816 ( -0.000 0.000 -1.638) 1.638 6.816 ( -0.000 0.000 -1.638) 1.638 7.504 ( 0.000 -0.000 1.189) 1.189 7.504 ( 0.000 -0.000 1.189) 1.189 12.374 ( 0.000 -0.000 1.416) 1.416 12.396 ( 0.000 -0.000 0.384) 0.384 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 3.161 1.825 10.994) 11.584 1.380 ( 15.098 8.717 8.278) 19.299 1.806 ( 1.019 0.588 -3.910) 4.083 1.871 ( 4.336 2.503 -8.199) 9.607 2.389 ( 4.359 2.517 13.200) 14.128 3.879 ( -6.684 -3.859 -7.510) 10.769 6.762 ( -4.928 -2.845 -2.845) 6.362 6.901 ( 10.705 6.181 -1.648) 12.471 7.592 ( 8.506 4.911 3.413) 10.399 8.033 ( 37.563 21.687 -3.847) 43.544 12.221 ( -13.266 -7.659 1.453) 15.387 12.374 ( -1.780 -1.028 0.345) 2.084 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 7.149 4.127 9.908) 12.896 1.749 ( 5.539 3.198 19.202) 20.239 1.847 ( 12.126 7.001 -12.456) 18.740 1.962 ( 5.878 3.394 -8.251) 10.684 2.613 ( 12.897 7.446 5.325) 15.815 3.747 ( -2.774 -1.602 -3.915) 5.059 6.628 ( -5.465 -3.155 -2.272) 6.707 7.234 ( 17.925 10.349 -2.356) 20.832 7.858 ( 13.489 7.788 3.676) 16.003 8.888 ( 35.970 20.767 -7.863) 42.272 11.857 ( -18.001 -10.393 3.228) 21.035 12.326 ( -2.335 -1.348 0.409) 2.727 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 9.204 5.314 8.435) 13.568 1.787 ( 0.274 0.158 8.824) 8.830 2.079 ( 6.561 3.788 -7.702) 10.804 2.210 ( 15.454 8.922 -1.712) 17.927 2.962 ( 16.294 9.407 1.825) 18.903 3.740 ( 3.120 1.802 -2.597) 4.441 6.522 ( -3.366 -1.943 -1.334) 4.109 7.639 ( 17.688 10.212 -0.175) 20.426 8.199 ( 15.649 9.035 3.025) 18.321 9.486 ( 19.121 11.040 -14.330) 26.322 11.508 ( -13.161 -7.599 7.099) 16.773 12.287 ( -1.118 -0.646 1.406) 1.909 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.000 6.207 3.487) 7.119 1.342 ( 0.000 14.605 10.375) 17.915 1.789 ( -0.000 2.228 -1.304) 2.582 1.868 ( -0.000 6.174 -8.741) 10.702 2.421 ( 0.000 3.757 10.311) 10.974 3.859 ( -0.000 -7.288 -5.845) 9.343 6.725 ( 0.000 -6.362 1.002) 6.440 6.903 ( -0.000 10.831 -1.714) 10.966 7.645 ( -0.000 11.297 -2.149) 11.499 7.986 ( 0.000 41.184 1.044) 41.198 12.232 ( 0.000 -14.188 0.363) 14.192 12.377 ( 0.000 -1.876 0.067) 1.877 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 1.934 7.890 4.129) 9.112 1.657 ( 12.963 14.670 6.692) 20.689 1.830 ( -0.291 3.187 2.926) 4.336 1.911 ( 2.483 5.950 -10.668) 12.465 2.552 ( 5.986 9.772 4.402) 12.276 3.755 ( -2.344 -4.247 -2.563) 5.486 6.819 ( 4.617 3.036 -0.738) 5.575 6.912 ( 1.287 5.374 -0.491) 5.548 7.838 ( 6.989 14.765 0.186) 16.337 8.630 ( 23.642 37.062 -1.270) 43.979 11.983 ( -10.223 -16.104 0.307) 19.077 12.341 ( -1.548 -2.364 -0.022) 2.825 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 5.946 7.372 4.291) 10.398 1.848 ( -1.544 4.342 3.706) 5.914 1.989 ( 7.589 5.734 -5.338) 10.908 2.070 ( 12.067 12.795 0.919) 17.611 2.830 ( 11.932 12.847 0.522) 17.540 3.714 ( 0.685 0.328 -1.148) 1.376 6.743 ( -14.911 15.047 -1.211) 21.218 7.247 ( 28.539 -4.316 0.121) 28.864 8.114 ( 8.764 12.696 1.629) 15.513 9.306 ( 18.728 24.897 -6.009) 31.729 11.649 ( -11.647 -12.146 2.974) 17.089 12.292 ( -1.145 -2.325 0.591) 2.659 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.000 8.563 -5.226) 10.032 1.725 ( 0.000 12.233 13.649) 18.328 1.893 ( 0.000 6.356 6.068) 8.788 1.916 ( -0.000 9.573 -16.814) 19.348 2.629 ( 0.000 14.119 2.139) 14.280 3.729 ( -0.000 -3.252 -0.286) 3.265 6.609 ( 0.000 -6.041 1.838) 6.315 7.223 ( -0.000 20.779 0.081) 20.780 7.892 ( -0.000 15.513 -3.469) 15.896 8.824 ( 0.000 38.766 5.888) 39.210 11.885 ( -0.000 -19.173 -2.727) 19.365 12.331 ( -0.000 -2.396 -0.629) 2.477 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 0.000 -0.000 4.521) 4.521 1.214 ( 0.000 -0.000 4.521) 4.521 1.770 ( -0.000 0.000 -3.269) 3.269 1.770 ( -0.000 0.000 -3.269) 3.269 2.429 ( 0.000 -0.000 7.418) 7.418 3.932 ( -0.000 0.000 -4.712) 4.712 6.806 ( -0.000 0.000 -0.560) 0.560 6.806 ( -0.000 0.000 -0.560) 0.560 7.511 ( 0.000 -0.000 0.403) 0.403 7.511 ( 0.000 -0.000 0.403) 0.403 12.384 ( 0.000 -0.000 0.659) 0.659 12.398 ( -0.000 0.000 -0.030) 0.030 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 3.870 2.234 5.260) 6.902 1.407 ( 14.575 8.415 -2.664) 17.039 1.804 ( 2.718 1.569 3.992) 5.078 1.808 ( 3.526 2.036 -4.995) 6.444 2.461 ( 2.881 1.663 1.899) 3.830 3.836 ( -5.871 -3.390 -1.212) 6.887 6.739 ( -5.144 -2.970 -2.014) 6.271 6.894 ( 9.877 5.703 0.145) 11.406 7.621 ( 9.082 5.244 2.934) 10.890 8.003 ( 36.088 20.836 -2.580) 41.751 12.231 ( -12.814 -7.398 0.556) 14.806 12.376 ( -1.747 -1.008 0.133) 2.021 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/58956 10.0 321.882 321.882 1297.601 -0.000 0.000 -0.000 3/58956 20.0 154.683 154.683 220.045 -0.000 0.000 -0.000 3/58956 30.0 82.735 82.735 81.380 -0.000 0.000 -0.000 3/58956 40.0 56.910 56.910 46.362 -0.000 0.000 -0.000 3/58956 50.0 43.237 43.237 32.068 -0.000 0.000 -0.000 3/58956 60.0 34.185 34.185 24.300 -0.000 0.000 -0.000 3/58956 70.0 27.700 27.700 19.367 -0.000 0.000 -0.000 3/58956 80.0 22.923 22.923 15.962 -0.000 0.000 -0.000 3/58956 90.0 19.344 19.344 13.491 -0.000 0.000 -0.000 3/58956 100.0 16.620 16.620 11.635 -0.000 0.000 -0.000 3/58956 110.0 14.509 14.509 10.203 -0.000 0.000 -0.000 3/58956 120.0 12.844 12.844 9.071 -0.000 0.000 -0.000 3/58956 130.0 11.507 11.507 8.159 -0.000 0.000 -0.000 3/58956 140.0 10.416 10.416 7.411 -0.000 0.000 -0.000 3/58956 150.0 9.512 9.512 6.788 -0.000 0.000 -0.000 3/58956 160.0 8.752 8.752 6.262 -0.000 0.000 -0.000 3/58956 170.0 8.106 8.106 5.813 -0.000 0.000 -0.000 3/58956 180.0 7.550 7.550 5.424 -0.000 0.000 -0.000 3/58956 190.0 7.067 7.067 5.086 -0.000 0.000 -0.000 3/58956 200.0 6.643 6.643 4.787 -0.000 0.000 -0.000 3/58956 210.0 6.269 6.269 4.523 -0.000 0.000 -0.000 3/58956 220.0 5.936 5.936 4.287 -0.000 0.000 -0.000 3/58956 230.0 5.637 5.637 4.076 -0.000 0.000 -0.000 3/58956 240.0 5.368 5.368 3.884 -0.000 0.000 -0.000 3/58956 250.0 5.124 5.124 3.710 -0.000 0.000 -0.000 3/58956 260.0 4.903 4.903 3.552 -0.000 0.000 -0.000 3/58956 270.0 4.700 4.700 3.407 -0.000 0.000 -0.000 3/58956 280.0 4.514 4.514 3.274 -0.000 0.000 -0.000 3/58956 290.0 4.342 4.342 3.151 -0.000 0.000 -0.000 3/58956 300.0 4.183 4.183 3.037 -0.000 0.000 -0.000 3/58956 310.0 4.036 4.036 2.931 -0.000 0.000 -0.000 3/58956 320.0 3.899 3.899 2.832 -0.000 0.000 -0.000 3/58956 330.0 3.772 3.772 2.741 -0.000 0.000 -0.000 3/58956 340.0 3.652 3.652 2.655 -0.000 0.000 -0.000 3/58956 350.0 3.541 3.541 2.574 -0.000 0.000 -0.000 3/58956 360.0 3.436 3.436 2.498 -0.000 0.000 -0.000 3/58956 370.0 3.337 3.337 2.427 -0.000 0.000 -0.000 3/58956 380.0 3.244 3.244 2.360 -0.000 0.000 -0.000 3/58956 390.0 3.156 3.156 2.296 -0.000 0.000 -0.000 3/58956 400.0 3.073 3.073 2.236 -0.000 0.000 -0.000 3/58956 410.0 2.994 2.994 2.179 -0.000 0.000 -0.000 3/58956 420.0 2.919 2.919 2.125 -0.000 0.000 -0.000 3/58956 430.0 2.848 2.848 2.073 -0.000 0.000 -0.000 3/58956 440.0 2.780 2.780 2.024 -0.000 0.000 -0.000 3/58956 450.0 2.716 2.716 1.977 -0.000 0.000 -0.000 3/58956 460.0 2.654 2.654 1.933 -0.000 0.000 -0.000 3/58956 470.0 2.596 2.596 1.890 -0.000 0.000 -0.000 3/58956 480.0 2.539 2.539 1.849 -0.000 0.000 -0.000 3/58956 490.0 2.486 2.486 1.810 -0.000 0.000 -0.000 3/58956 500.0 2.434 2.434 1.773 -0.000 0.000 -0.000 3/58956 510.0 2.385 2.385 1.737 -0.000 0.000 -0.000 3/58956 520.0 2.338 2.338 1.703 -0.000 0.000 -0.000 3/58956 530.0 2.292 2.292 1.670 -0.000 0.000 -0.000 3/58956 540.0 2.248 2.248 1.638 -0.000 0.000 -0.000 3/58956 550.0 2.206 2.206 1.608 -0.000 0.000 -0.000 3/58956 560.0 2.166 2.166 1.578 -0.000 0.000 -0.000 3/58956 570.0 2.127 2.127 1.550 -0.000 0.000 -0.000 3/58956 580.0 2.089 2.089 1.523 -0.000 0.000 -0.000 3/58956 590.0 2.053 2.053 1.496 -0.000 0.000 -0.000 3/58956 600.0 2.018 2.018 1.471 -0.000 0.000 -0.000 3/58956 610.0 1.984 1.984 1.446 -0.000 0.000 -0.000 3/58956 620.0 1.951 1.951 1.422 -0.000 0.000 -0.000 3/58956 630.0 1.920 1.920 1.399 -0.000 0.000 -0.000 3/58956 640.0 1.889 1.889 1.377 -0.000 0.000 -0.000 3/58956 650.0 1.859 1.859 1.355 -0.000 0.000 -0.000 3/58956 660.0 1.831 1.831 1.335 -0.000 0.000 -0.000 3/58956 670.0 1.803 1.803 1.314 -0.000 0.000 -0.000 3/58956 680.0 1.776 1.776 1.295 -0.000 0.000 -0.000 3/58956 690.0 1.750 1.750 1.276 -0.000 0.000 -0.000 3/58956 700.0 1.724 1.724 1.257 -0.000 0.000 -0.000 3/58956 710.0 1.700 1.700 1.239 -0.000 0.000 -0.000 3/58956 720.0 1.676 1.676 1.222 -0.000 0.000 -0.000 3/58956 730.0 1.652 1.652 1.205 -0.000 0.000 -0.000 3/58956 740.0 1.630 1.630 1.188 -0.000 0.000 -0.000 3/58956 750.0 1.608 1.608 1.172 -0.000 0.000 -0.000 3/58956 760.0 1.586 1.586 1.156 -0.000 0.000 -0.000 3/58956 770.0 1.565 1.565 1.141 -0.000 0.000 -0.000 3/58956 780.0 1.545 1.545 1.126 -0.000 0.000 -0.000 3/58956 790.0 1.525 1.525 1.112 -0.000 0.000 -0.000 3/58956 800.0 1.506 1.506 1.098 -0.000 0.000 -0.000 3/58956 810.0 1.487 1.487 1.084 -0.000 0.000 -0.000 3/58956 820.0 1.469 1.469 1.071 -0.000 0.000 -0.000 3/58956 830.0 1.451 1.451 1.058 -0.000 0.000 -0.000 3/58956 840.0 1.433 1.433 1.045 -0.000 0.000 -0.000 3/58956 850.0 1.416 1.416 1.033 -0.000 0.000 -0.000 3/58956 860.0 1.399 1.399 1.021 -0.000 0.000 -0.000 3/58956 870.0 1.383 1.383 1.009 -0.000 0.000 -0.000 3/58956 880.0 1.367 1.367 0.997 -0.000 0.000 -0.000 3/58956 890.0 1.352 1.352 0.986 -0.000 0.000 -0.000 3/58956 900.0 1.337 1.337 0.975 -0.000 0.000 -0.000 3/58956 910.0 1.322 1.322 0.964 -0.000 0.000 -0.000 3/58956 920.0 1.307 1.307 0.953 -0.000 0.000 -0.000 3/58956 930.0 1.293 1.293 0.943 -0.000 0.000 -0.000 3/58956 940.0 1.279 1.279 0.933 -0.000 0.000 -0.000 3/58956 950.0 1.266 1.266 0.923 -0.000 0.000 -0.000 3/58956 960.0 1.252 1.252 0.913 -0.000 0.000 -0.000 3/58956 970.0 1.239 1.239 0.904 -0.000 0.000 -0.000 3/58956 980.0 1.227 1.227 0.895 -0.000 0.000 -0.000 3/58956 990.0 1.214 1.214 0.885 -0.000 0.000 -0.000 3/58956 1000.0 1.202 1.202 0.877 -0.000 0.000 -0.000 3/58956 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:45:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|