----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:14:33]------------------------- Compiled with OpenMP support (max 48 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 1.820136653686843 1.050856386968002 6.249499396666660 b -1.820136653686840 1.050856386968002 6.249499396666660 c 0.000000000000000 -2.101712773936004 6.249499396666660 Atomic positions (fractional): *1 O 0.23071155440331 0.23071155440331 0.23071155440331 15.999 2 O 0.76928844559669 0.76928844559669 0.76928844559669 15.999 *3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 *4 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.640273307373683 0.000000000000000 0.000000000000000 b -1.820136653686842 3.152569160904009 0.000000000000000 c 0.000000000000000 0.000000000000000 18.748498189999999 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.23071155440331 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.10262177893002 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.56404488773664 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.43595511226336 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.89737822106998 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.76928844559669 15.999 > 2 *7 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 3 8 K 0.66666666666667 0.33333333333333 0.33333333333333 39.098 > 3 9 K 0.33333333333333 0.66666666666667 0.66666666666667 39.098 > 3 *10 Pr 0.33333333333333 0.66666666666667 0.16666666666667 140.908 > 4 11 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 4 12 Pr 0.66666666666667 0.33333333333333 0.83333333333333 140.908 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.920819922121050 0.000000000000000 0.000000000000000 b -5.460409961060526 9.457707482712028 0.000000000000000 c 0.000000000000000 0.000000000000000 18.748498189999999 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.23071155440331 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.23071155440331 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.23071155440331 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.23071155440331 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.23071155440331 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.23071155440331 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.23071155440331 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.23071155440331 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.23071155440331 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10262177893002 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.10262177893002 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.10262177893002 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.10262177893002 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.10262177893002 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.10262177893002 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.10262177893002 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.10262177893002 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.10262177893002 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.56404488773664 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56404488773664 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56404488773664 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56404488773664 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56404488773664 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56404488773664 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56404488773664 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56404488773664 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56404488773664 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43595511226336 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.43595511226336 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.43595511226336 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.43595511226336 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.43595511226336 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.43595511226336 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.43595511226336 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.43595511226336 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.43595511226336 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.89737822106998 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89737822106998 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89737822106998 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89737822106998 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89737822106998 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89737822106998 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89737822106998 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89737822106998 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89737822106998 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.76928844559669 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.76928844559669 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.76928844559669 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.76928844559669 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.76928844559669 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.76928844559669 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.76928844559669 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.76928844559669 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.76928844559669 15.999 > 2 *55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 3 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 3 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 3 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 3 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 3 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 3 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 3 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 3 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 3 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 3 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 3 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 3 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 3 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 3 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 3 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 3 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 3 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 3 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 3 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 3 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 3 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 3 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 3 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 3 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 3 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 3 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 3 *82 Pr 0.11111111111111 0.22222222222222 0.16666666666667 140.908 > 4 83 Pr 0.44444444444444 0.22222222222222 0.16666666666667 140.908 > 4 84 Pr 0.77777777777778 0.22222222222222 0.16666666666667 140.908 > 4 85 Pr 0.11111111111111 0.55555555555556 0.16666666666667 140.908 > 4 86 Pr 0.44444444444444 0.55555555555556 0.16666666666667 140.908 > 4 87 Pr 0.77777777777778 0.55555555555556 0.16666666666667 140.908 > 4 88 Pr 0.11111111111111 0.88888888888889 0.16666666666667 140.908 > 4 89 Pr 0.44444444444444 0.88888888888889 0.16666666666667 140.908 > 4 90 Pr 0.77777777777778 0.88888888888889 0.16666666666667 140.908 > 4 91 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 4 92 Pr 0.33333333333333 0.00000000000000 0.50000000000000 140.908 > 4 93 Pr 0.66666666666667 0.00000000000000 0.50000000000000 140.908 > 4 94 Pr 0.00000000000000 0.33333333333333 0.50000000000000 140.908 > 4 95 Pr 0.33333333333333 0.33333333333333 0.50000000000000 140.908 > 4 96 Pr 0.66666666666667 0.33333333333333 0.50000000000000 140.908 > 4 97 Pr 0.00000000000000 0.66666666666667 0.50000000000000 140.908 > 4 98 Pr 0.33333333333333 0.66666666666667 0.50000000000000 140.908 > 4 99 Pr 0.66666666666667 0.66666666666667 0.50000000000000 140.908 > 4 100 Pr 0.22222222222222 0.11111111111111 0.83333333333333 140.908 > 4 101 Pr 0.55555555555556 0.11111111111111 0.83333333333333 140.908 > 4 102 Pr 0.88888888888889 0.11111111111111 0.83333333333333 140.908 > 4 103 Pr 0.22222222222222 0.44444444444444 0.83333333333333 140.908 > 4 104 Pr 0.55555555555556 0.44444444444444 0.83333333333333 140.908 > 4 105 Pr 0.88888888888889 0.44444444444444 0.83333333333333 140.908 > 4 106 Pr 0.22222222222222 0.77777777777778 0.83333333333333 140.908 > 4 107 Pr 0.55555555555556 0.77777777777778 0.83333333333333 140.908 > 4 108 Pr 0.88888888888889 0.77777777777778 0.83333333333333 140.908 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0926027 -0.0000000 0.0000000 -0.0000000 4.0926027 0.0000000 0.0000000 0.0000000 3.2676341 -------------------------- Born effective charges -------------------------- 1 O -2.7665544 0.0000000 0.0000000 -0.0000000 -2.7665544 0.0000000 0.0000000 0.0000000 -1.9548718 2 O -2.7665544 0.0000000 0.0000000 -0.0000000 -2.7665544 0.0000000 0.0000000 0.0000000 -1.9548718 3 K 1.0407015 -0.0000000 0.0000000 0.0000000 1.0407015 0.0000000 0.0000000 0.0000000 1.5195979 4 Pr 4.4924073 -0.0000000 0.0000000 -0.0000000 4.4924073 0.0000000 0.0000000 0.0000000 2.3901457 ---------------------------------------------------------------------------- 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: 214 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: 0.079 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.085 --------------------------------- 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: 214 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 20:14:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:14:37]------------------------- Compiled with OpenMP support (max 48 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 1.820136653686843 1.050856386968002 6.249499396666660 b -1.820136653686840 1.050856386968002 6.249499396666660 c 0.000000000000000 -2.101712773936004 6.249499396666660 Atomic positions (fractional): 1 O 0.23071155440331 0.23071155440331 0.23071155440331 15.999 2 O 0.76928844559669 0.76928844559669 0.76928844559669 15.999 3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 4 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.920819922121050 0.000000000000000 0.000000000000000 b -5.460409961060526 9.457707482712028 0.000000000000000 c 0.000000000000000 0.000000000000000 18.748498189999999 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.23071155440331 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.23071155440331 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.23071155440331 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.23071155440331 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.23071155440331 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.23071155440331 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.23071155440331 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.23071155440331 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.23071155440331 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10262177893002 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10262177893002 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10262177893002 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10262177893002 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10262177893002 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10262177893002 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10262177893002 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10262177893002 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10262177893002 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.56404488773664 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56404488773664 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56404488773664 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56404488773664 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56404488773664 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56404488773664 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56404488773664 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56404488773664 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56404488773664 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43595511226336 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.43595511226336 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.43595511226336 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.43595511226336 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.43595511226336 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.43595511226336 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.43595511226336 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.43595511226336 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.43595511226336 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89737822106998 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89737822106998 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89737822106998 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89737822106998 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89737822106998 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89737822106998 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89737822106998 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89737822106998 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89737822106998 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.76928844559669 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.76928844559669 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.76928844559669 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.76928844559669 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.76928844559669 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.76928844559669 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.76928844559669 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.76928844559669 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.76928844559669 15.999 > 10 55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 55 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 55 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 55 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 55 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 55 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 55 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 55 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 55 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 55 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 55 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 55 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 55 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 55 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 55 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 55 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 55 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 55 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 55 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 55 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 55 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 55 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 55 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 55 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 55 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 55 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 55 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 55 82 Pr 0.11111111111111 0.22222222222222 0.16666666666667 140.908 > 82 83 Pr 0.44444444444444 0.22222222222222 0.16666666666667 140.908 > 82 84 Pr 0.77777777777778 0.22222222222222 0.16666666666667 140.908 > 82 85 Pr 0.11111111111111 0.55555555555556 0.16666666666667 140.908 > 82 86 Pr 0.44444444444444 0.55555555555556 0.16666666666667 140.908 > 82 87 Pr 0.77777777777778 0.55555555555556 0.16666666666667 140.908 > 82 88 Pr 0.11111111111111 0.88888888888889 0.16666666666667 140.908 > 82 89 Pr 0.44444444444444 0.88888888888889 0.16666666666667 140.908 > 82 90 Pr 0.77777777777778 0.88888888888889 0.16666666666667 140.908 > 82 91 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 82 92 Pr 0.33333333333333 0.00000000000000 0.50000000000000 140.908 > 82 93 Pr 0.66666666666667 0.00000000000000 0.50000000000000 140.908 > 82 94 Pr 0.00000000000000 0.33333333333333 0.50000000000000 140.908 > 82 95 Pr 0.33333333333333 0.33333333333333 0.50000000000000 140.908 > 82 96 Pr 0.66666666666667 0.33333333333333 0.50000000000000 140.908 > 82 97 Pr 0.00000000000000 0.66666666666667 0.50000000000000 140.908 > 82 98 Pr 0.33333333333333 0.66666666666667 0.50000000000000 140.908 > 82 99 Pr 0.66666666666667 0.66666666666667 0.50000000000000 140.908 > 82 100 Pr 0.22222222222222 0.11111111111111 0.83333333333333 140.908 > 82 101 Pr 0.55555555555556 0.11111111111111 0.83333333333333 140.908 > 82 102 Pr 0.88888888888889 0.11111111111111 0.83333333333333 140.908 > 82 103 Pr 0.22222222222222 0.44444444444444 0.83333333333333 140.908 > 82 104 Pr 0.55555555555556 0.44444444444444 0.83333333333333 140.908 > 82 105 Pr 0.88888888888889 0.44444444444444 0.83333333333333 140.908 > 82 106 Pr 0.22222222222222 0.77777777777778 0.83333333333333 140.908 > 82 107 Pr 0.55555555555556 0.77777777777778 0.83333333333333 140.908 > 82 108 Pr 0.88888888888889 0.77777777777778 0.83333333333333 140.908 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0926027 -0.0000000 0.0000000 -0.0000000 4.0926027 0.0000000 0.0000000 0.0000000 3.2676341 -------------------------- Born effective charges -------------------------- 1 O -2.7665544 0.0000000 0.0000000 -0.0000000 -2.7665544 0.0000000 0.0000000 0.0000000 -1.9548718 2 O -2.7665544 0.0000000 0.0000000 -0.0000000 -2.7665544 0.0000000 0.0000000 0.0000000 -1.9548718 3 K 1.0407015 -0.0000000 0.0000000 0.0000000 1.0407015 0.0000000 0.0000000 0.0000000 1.5195979 4 Pr 4.4924073 -0.0000000 0.0000000 -0.0000000 4.4924073 0.0000000 0.0000000 0.0000000 2.3901457 ---------------------------------------------------------------------------- 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 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:14:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:14:41]------------------------- Compiled with OpenMP support (max 48 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 1.820136653686843 1.050856386968002 6.249499396666660 b -1.820136653686840 1.050856386968002 6.249499396666660 c 0.000000000000000 -2.101712773936004 6.249499396666660 Atomic positions (fractional): 1 O 0.23071155440331 0.23071155440331 0.23071155440331 15.999 2 O 0.76928844559669 0.76928844559669 0.76928844559669 15.999 3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 4 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.920819922121050 0.000000000000000 0.000000000000000 b -5.460409961060526 9.457707482712028 0.000000000000000 c 0.000000000000000 0.000000000000000 18.748498189999999 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.23071155440331 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.23071155440331 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.23071155440331 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.23071155440331 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.23071155440331 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.23071155440331 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.23071155440331 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.23071155440331 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.23071155440331 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10262177893002 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10262177893002 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10262177893002 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10262177893002 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10262177893002 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10262177893002 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10262177893002 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10262177893002 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10262177893002 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.56404488773664 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56404488773664 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56404488773664 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56404488773664 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56404488773664 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56404488773664 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56404488773664 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56404488773664 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56404488773664 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43595511226336 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.43595511226336 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.43595511226336 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.43595511226336 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.43595511226336 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.43595511226336 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.43595511226336 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.43595511226336 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.43595511226336 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89737822106998 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89737822106998 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89737822106998 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89737822106998 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89737822106998 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89737822106998 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89737822106998 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89737822106998 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89737822106998 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.76928844559669 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.76928844559669 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.76928844559669 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.76928844559669 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.76928844559669 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.76928844559669 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.76928844559669 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.76928844559669 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.76928844559669 15.999 > 10 55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 55 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 55 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 55 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 55 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 55 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 55 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 55 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 55 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 55 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 55 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 55 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 55 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 55 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 55 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 55 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 55 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 55 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 55 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 55 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 55 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 55 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 55 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 55 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 55 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 55 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 55 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 55 82 Pr 0.11111111111111 0.22222222222222 0.16666666666667 140.908 > 82 83 Pr 0.44444444444444 0.22222222222222 0.16666666666667 140.908 > 82 84 Pr 0.77777777777778 0.22222222222222 0.16666666666667 140.908 > 82 85 Pr 0.11111111111111 0.55555555555556 0.16666666666667 140.908 > 82 86 Pr 0.44444444444444 0.55555555555556 0.16666666666667 140.908 > 82 87 Pr 0.77777777777778 0.55555555555556 0.16666666666667 140.908 > 82 88 Pr 0.11111111111111 0.88888888888889 0.16666666666667 140.908 > 82 89 Pr 0.44444444444444 0.88888888888889 0.16666666666667 140.908 > 82 90 Pr 0.77777777777778 0.88888888888889 0.16666666666667 140.908 > 82 91 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 82 92 Pr 0.33333333333333 0.00000000000000 0.50000000000000 140.908 > 82 93 Pr 0.66666666666667 0.00000000000000 0.50000000000000 140.908 > 82 94 Pr 0.00000000000000 0.33333333333333 0.50000000000000 140.908 > 82 95 Pr 0.33333333333333 0.33333333333333 0.50000000000000 140.908 > 82 96 Pr 0.66666666666667 0.33333333333333 0.50000000000000 140.908 > 82 97 Pr 0.00000000000000 0.66666666666667 0.50000000000000 140.908 > 82 98 Pr 0.33333333333333 0.66666666666667 0.50000000000000 140.908 > 82 99 Pr 0.66666666666667 0.66666666666667 0.50000000000000 140.908 > 82 100 Pr 0.22222222222222 0.11111111111111 0.83333333333333 140.908 > 82 101 Pr 0.55555555555556 0.11111111111111 0.83333333333333 140.908 > 82 102 Pr 0.88888888888889 0.11111111111111 0.83333333333333 140.908 > 82 103 Pr 0.22222222222222 0.44444444444444 0.83333333333333 140.908 > 82 104 Pr 0.55555555555556 0.44444444444444 0.83333333333333 140.908 > 82 105 Pr 0.88888888888889 0.44444444444444 0.83333333333333 140.908 > 82 106 Pr 0.22222222222222 0.77777777777778 0.83333333333333 140.908 > 82 107 Pr 0.55555555555556 0.77777777777778 0.83333333333333 140.908 > 82 108 Pr 0.88888888888889 0.77777777777778 0.83333333333333 140.908 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0926027 -0.0000000 0.0000000 -0.0000000 4.0926027 0.0000000 0.0000000 0.0000000 3.2676341 -------------------------- Born effective charges -------------------------- 1 O -2.7665544 0.0000000 0.0000000 -0.0000000 -2.7665544 0.0000000 0.0000000 0.0000000 -1.9548718 2 O -2.7665544 0.0000000 0.0000000 -0.0000000 -2.7665544 0.0000000 0.0000000 0.0000000 -1.9548718 3 K 1.0407015 -0.0000000 0.0000000 0.0000000 1.0407015 0.0000000 0.0000000 0.0000000 1.5195979 4 Pr 4.4924073 -0.0000000 0.0000000 -0.0000000 4.4924073 0.0000000 0.0000000 0.0000000 2.3901457 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) 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 ... [ 16 16 16 ] 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: 1.00, Number of G-points: 313, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 417 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 2.833 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 5.405 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 9.244 ( 0.000 0.000 0.000) 0.000 10.039 ( 0.000 0.000 0.000) 0.000 10.039 ( 0.000 0.000 0.000) 0.000 13.003 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 22.155 12.791 8.172) 26.856 0.625 ( 26.703 15.417 2.660) 30.948 1.169 ( 49.811 28.758 4.068) 57.660 2.852 ( 1.767 1.020 -1.032) 2.287 2.957 ( 9.887 5.708 0.205) 11.418 5.406 ( -0.700 -0.404 2.153) 2.300 6.603 ( 4.358 2.516 0.464) 5.054 9.006 ( -14.426 -8.329 -6.223) 17.783 9.996 ( -3.659 -2.113 -0.006) 4.225 10.171 ( 10.982 6.341 -14.792) 19.484 12.863 ( -11.879 -6.858 1.538) 13.802 14.567 ( 2.480 1.432 -15.838) 16.095 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 21.541 12.437 6.435) 25.693 1.234 ( 25.601 14.781 2.786) 29.692 2.287 ( 46.010 26.564 3.679) 53.254 2.905 ( 3.271 1.888 -1.972) 4.261 3.278 ( 17.766 10.257 0.443) 20.519 5.386 ( -1.414 -0.817 -0.657) 1.760 6.752 ( 8.318 4.802 0.632) 9.625 8.614 ( -17.730 -10.237 1.486) 20.527 9.881 ( -6.086 -3.514 0.057) 7.028 10.352 ( 8.164 4.714 -15.902) 18.486 12.511 ( -19.083 -11.018 6.086) 22.861 14.536 ( -1.963 -1.133 -9.748) 10.008 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 20.327 11.736 4.798) 23.957 1.806 ( 23.306 13.456 3.000) 27.078 2.985 ( 4.339 2.505 -2.768) 5.724 3.238 ( 34.035 19.650 3.196) 39.430 3.787 ( 27.663 15.971 0.408) 31.945 5.330 ( -3.237 -1.869 -2.608) 4.557 6.978 ( 10.905 6.296 0.371) 12.598 8.248 ( -13.846 -7.994 0.682) 16.003 9.736 ( -6.199 -3.579 0.238) 7.162 10.406 ( 0.546 0.315 -15.009) 15.022 12.063 ( -22.274 -12.860 12.957) 28.799 14.406 ( -6.081 -3.511 -11.210) 13.228 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 18.336 10.586 3.948) 21.537 2.310 ( 19.548 11.286 3.282) 22.810 3.082 ( 4.991 2.882 -3.404) 6.694 3.848 ( 20.434 11.798 2.505) 23.728 4.519 ( 33.231 19.186 -0.499) 38.375 5.216 ( -5.786 -3.341 -3.186) 7.402 7.232 ( 10.731 6.196 -0.193) 12.393 8.014 ( -6.006 -3.468 -1.233) 7.044 9.622 ( -3.436 -1.984 0.514) 4.001 10.262 ( -8.664 -5.002 -15.126) 18.135 11.587 ( -24.062 -13.892 18.766) 33.528 14.211 ( -6.674 -3.853 -12.865) 14.996 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 15.591 9.002 3.805) 18.401 2.711 ( 14.225 8.213 3.482) 16.791 3.190 ( 5.526 3.191 -3.767) 7.410 4.254 ( 14.932 8.621 1.710) 17.327 5.028 ( -5.524 -3.189 -9.660) 11.576 5.225 ( 23.653 13.656 5.117) 27.788 7.444 ( 7.529 4.347 -0.701) 8.722 7.980 ( 3.718 2.147 -2.690) 5.067 9.597 ( 1.162 0.671 0.720) 1.523 9.935 ( -14.685 -8.478 -14.050) 22.021 11.066 ( -27.390 -15.813 18.467) 36.624 14.051 ( -3.244 -1.873 -11.182) 11.793 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 12.114 6.994 3.702) 14.470 2.975 ( 7.859 4.537 2.890) 9.523 3.311 ( 5.886 3.398 -3.180) 7.503 4.544 ( 9.757 5.633 -0.455) 11.275 4.829 ( -7.897 -4.559 -3.729) 9.851 5.707 ( 16.554 9.557 0.517) 19.122 7.567 ( 3.583 2.069 -0.803) 4.215 8.157 ( 12.218 7.054 -3.268) 14.481 9.548 ( -14.423 -8.327 -10.533) 19.706 9.668 ( 4.296 2.480 0.659) 5.004 10.455 ( -30.033 -17.339 12.971) 37.025 13.992 ( 0.416 0.240 -6.932) 6.948 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 7.219 4.168 2.636) 8.743 3.102 ( 3.029 1.749 1.352) 3.749 3.421 ( 3.995 2.307 -1.528) 4.860 4.596 ( -4.119 -2.378 -5.085) 6.963 4.771 ( 3.423 1.976 2.403) 4.625 5.988 ( 8.052 4.649 -0.187) 9.300 7.615 ( 1.141 0.659 -0.499) 1.409 8.488 ( 16.561 9.562 -3.200) 19.389 9.249 ( -8.510 -4.913 -5.370) 11.198 9.767 ( 3.560 2.055 0.369) 4.127 9.820 ( -26.953 -15.562 7.049) 31.911 14.001 ( 1.322 0.763 -2.959) 3.329 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.467 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 7.626 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 9.150 ( 0.000 0.000 0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 9.811 ( 0.000 0.000 0.000) 0.000 14.014 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 23.682 16.170) 28.676 0.644 ( -0.000 29.942 6.313) 30.600 1.183 ( -0.000 56.667 7.080) 57.108 2.855 ( -0.000 2.326 -0.299) 2.345 2.948 ( -0.000 11.097 -1.594) 11.211 5.414 ( 0.000 -2.276 3.439) 4.124 6.602 ( -0.000 4.963 0.283) 4.971 8.925 ( -0.000 -9.753 -21.571) 23.673 9.994 ( 0.000 -4.309 -0.453) 4.333 10.180 ( -0.000 14.887 -11.974) 19.105 12.863 ( 0.000 -14.203 1.678) 14.302 14.480 ( -0.000 9.674 -29.759) 31.292 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 11.266 20.579 12.386) 26.530 1.101 ( 14.986 26.217 5.030) 30.614 2.012 ( 27.102 46.758 6.162) 54.394 2.893 ( 1.249 3.916 -1.391) 4.339 3.159 ( 9.682 14.635 -1.270) 17.593 5.393 ( -0.804 -1.551 -0.282) 1.770 6.706 ( 4.557 7.495 0.708) 8.800 8.702 ( -6.695 -16.631 -3.481) 18.263 9.891 ( -3.829 -6.496 -1.288) 7.650 10.298 ( 1.978 12.882 -15.753) 20.446 12.623 ( -8.962 -18.768 4.495) 21.278 14.498 ( 1.412 2.185 -16.319) 16.525 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 14.687 16.911 8.260) 23.873 1.650 ( 17.784 23.168 4.251) 29.514 2.948 ( 29.936 34.119 5.249) 45.692 2.965 ( 2.284 5.820 -2.536) 6.747 3.555 ( 18.688 17.995 -1.167) 25.970 5.347 ( -2.129 -2.043 -2.477) 3.852 6.905 ( 7.749 10.180 0.893) 12.825 8.379 ( -11.682 -13.057 0.693) 17.534 9.750 ( -3.308 -8.003 -1.133) 8.733 10.364 ( 0.334 5.477 -16.376) 17.271 12.250 ( -13.850 -20.490 10.294) 26.789 14.429 ( -4.098 -1.829 -12.904) 13.662 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 15.675 13.211 5.497) 21.224 2.179 ( 16.381 20.869 3.821) 26.804 3.065 ( 2.525 7.786 -3.474) 8.891 3.651 ( 19.919 18.049 4.259) 27.215 4.185 ( 29.365 24.021 -1.813) 37.981 5.258 ( -4.167 -3.092 -3.025) 6.007 7.165 ( 8.566 12.418 0.660) 15.100 8.093 ( -9.022 -7.254 -0.418) 11.585 9.625 ( -1.963 -6.613 -0.450) 6.913 10.284 ( -5.283 -2.698 -16.173) 17.227 11.829 ( -16.525 -20.701 16.491) 31.202 14.251 ( -7.467 -3.470 -13.477) 15.794 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 15.366 9.244 4.040) 18.382 2.637 ( 12.385 18.354 3.432) 22.406 3.181 ( 2.311 9.993 -4.123) 11.054 4.096 ( 15.151 10.834 3.315) 18.918 4.871 ( 22.204 15.184 -10.025) 28.707 5.154 ( -1.325 0.704 4.722) 4.955 7.425 ( 5.873 13.572 0.154) 14.789 7.950 ( -1.307 -1.757 -2.164) 3.079 9.566 ( 1.194 -3.318 0.235) 3.534 10.026 ( -11.556 -8.276 -15.359) 20.927 11.369 ( -20.616 -20.559 18.357) 34.419 14.054 ( -5.369 -3.304 -12.560) 14.054 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 13.911 5.117 3.142) 15.152 2.976 ( 6.368 14.894 2.549) 16.397 3.317 ( 2.026 12.680 -3.920) 13.426 4.422 ( 11.469 6.762 1.971) 13.459 4.882 ( -5.739 -4.910 -8.331) 11.245 5.527 ( 17.726 13.267 3.734) 22.453 7.618 ( 0.567 13.886 -0.353) 13.902 8.006 ( 8.494 2.087 -3.273) 9.339 9.603 ( 4.499 -0.408 0.878) 4.602 9.662 ( -13.683 -9.618 -12.480) 20.868 10.821 ( -26.415 -19.074 14.064) 35.488 13.942 ( 0.052 -2.834 -8.542) 8.999 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 10.849 0.760 1.715) 11.010 3.171 ( 0.766 12.168 0.663) 12.210 3.464 ( 0.273 13.759 -2.182) 13.933 4.601 ( 1.655 1.164 -4.055) 4.532 4.743 ( -0.327 -2.012 0.444) 2.087 5.883 ( 10.874 7.195 1.412) 13.115 7.721 ( -4.173 14.019 -0.569) 14.638 8.243 ( 16.449 3.351 -3.675) 17.185 9.329 ( -10.277 -7.302 -7.567) 14.703 9.680 ( 3.617 -2.741 1.604) 4.813 10.220 ( -27.455 -11.401 7.382) 30.631 13.929 ( 3.711 -3.324 -3.931) 6.346 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 5.661 -3.512 -0.928) 6.727 3.263 ( -3.297 10.709 -0.843) 11.237 3.561 ( -3.626 11.855 -0.297) 12.401 4.540 ( -2.172 -0.142 -2.722) 3.485 4.797 ( 2.710 -0.869 1.564) 3.248 6.057 ( 3.800 1.888 0.939) 4.346 7.761 ( -6.939 14.119 -0.354) 15.736 8.554 ( 16.761 -1.685 -3.405) 17.186 9.151 ( -2.155 -2.300 -1.978) 3.721 9.523 ( -12.014 -11.561 3.244) 16.986 9.908 ( -7.170 6.871 0.574) 9.947 13.954 ( 4.067 -4.481 -0.485) 6.071 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -0.307 -7.028 -3.840) 8.014 3.258 ( -7.736 8.371 -1.760) 11.533 3.570 ( -7.962 9.543 1.351) 12.502 4.564 ( 3.518 2.872 1.761) 4.871 4.785 ( -1.773 -3.551 -0.612) 4.016 6.058 ( -3.755 -2.565 1.123) 4.684 7.764 ( -8.505 13.144 0.079) 15.656 8.576 ( -5.160 -14.728 0.951) 15.635 9.177 ( 5.128 1.984 3.112) 6.318 9.491 ( 13.981 4.117 -3.152) 14.912 9.899 ( -3.357 8.676 -1.094) 9.367 13.968 ( 2.847 -5.152 2.300) 6.320 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -6.045 -9.155 -5.390) 12.223 3.157 ( -11.490 5.748 -2.150) 13.026 3.489 ( -11.512 7.151 2.655) 13.810 4.637 ( -6.032 -4.387 2.886) 7.998 4.738 ( 7.224 2.757 -0.680) 7.762 5.881 ( -12.257 -6.400 1.099) 13.871 7.726 ( -9.861 10.469 0.468) 14.390 8.276 ( -10.876 -12.446 2.800) 16.764 9.406 ( 13.596 6.188 7.706) 16.808 9.666 ( 1.870 -4.481 -1.122) 4.984 10.134 ( 19.906 17.069 -9.647) 27.941 13.976 ( 2.483 -4.066 5.429) 7.223 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -11.002 -9.522 -5.116) 15.424 2.950 ( -16.778 2.332 -2.562) 17.132 3.354 ( -11.689 4.831 3.424) 13.103 4.408 ( -12.283 -7.436 -0.791) 14.380 4.941 ( 9.639 3.999 3.078) 10.880 5.509 ( -22.112 -10.117 0.505) 24.321 7.623 ( -12.222 5.976 0.562) 13.616 8.038 ( -6.314 -6.290 3.041) 9.417 9.590 ( -1.038 -4.056 -1.466) 4.436 9.789 ( 16.178 7.704 12.519) 21.859 10.668 ( 27.294 12.759 -16.260) 34.237 14.029 ( 4.295 -0.865 8.735) 9.772 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -15.573 -8.788 -4.020) 18.328 2.608 ( -22.506 -1.243 -2.403) 22.668 3.218 ( -9.887 2.925 3.125) 10.774 4.073 ( -17.396 -8.159 -1.348) 19.262 4.925 ( -32.053 -13.158 -0.320) 34.650 5.141 ( 7.984 2.906 3.222) 9.087 7.426 ( -14.732 1.146 0.336) 14.780 7.972 ( 1.479 -0.025 2.128) 2.592 9.560 ( 2.551 -2.356 -0.854) 3.576 10.170 ( 13.691 5.766 12.908) 19.680 11.186 ( 27.492 8.637 -17.722) 33.830 14.169 ( 6.949 2.580 10.188) 12.599 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -19.925 -7.274 -2.964) 21.418 2.151 ( -26.640 -3.657 -1.942) 26.960 3.094 ( -8.093 1.370 2.308) 8.526 3.623 ( -26.276 -8.616 -1.332) 27.684 4.189 ( -35.857 -12.740 -0.826) 38.062 5.285 ( 5.084 1.554 2.276) 5.783 7.161 ( -15.150 -1.602 -0.043) 15.235 8.097 ( 9.941 3.900 0.511) 10.691 9.626 ( 6.877 -1.029 -0.333) 6.962 10.420 ( 5.803 2.224 10.264) 11.999 11.681 ( 27.502 6.536 -12.435) 30.883 14.361 ( 7.372 3.486 8.306) 11.640 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -23.623 -4.835 -2.100) 24.204 1.623 ( -29.416 -3.858 -1.217) 29.693 2.915 ( -45.256 -9.174 -1.149) 46.191 2.985 ( -6.177 0.319 1.268) 6.314 3.558 ( -25.067 -6.253 -0.606) 25.842 5.364 ( 2.472 0.484 0.832) 2.653 6.899 ( -12.777 -1.709 -0.229) 12.893 8.373 ( 16.765 4.140 -0.667) 17.281 9.756 ( 8.698 -0.586 0.060) 8.718 10.483 ( -2.897 0.275 6.756) 7.356 12.171 ( 26.120 4.293 -5.110) 26.960 14.518 ( 4.768 1.763 4.482) 6.777 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -25.937 0.000 0.000) 25.937 1.076 ( -30.988 0.000 0.000) 30.988 1.981 ( -54.963 0.000 0.000) 54.963 2.900 ( -4.018 0.000 0.000) 4.018 3.166 ( -17.554 0.000 0.000) 17.554 5.394 ( 0.914 -0.000 -0.000) 0.914 6.703 ( -8.775 0.000 0.000) 8.775 8.720 ( 20.348 -0.000 -0.000) 20.348 9.896 ( 7.590 -0.000 -0.000) 7.590 10.382 ( -10.026 0.000 0.000) 10.026 12.600 ( 21.307 -0.000 -0.000) 21.307 14.585 ( 1.475 -0.000 -0.000) 1.475 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.000 22.298 13.617) 26.127 1.262 ( -0.000 28.295 5.354) 28.797 2.324 ( -0.000 52.897 7.101) 53.372 2.918 ( -0.000 4.244 -0.718) 4.304 3.240 ( -0.000 19.522 -3.192) 19.781 5.381 ( -0.000 -1.758 -1.207) 2.133 6.752 ( -0.000 9.749 0.684) 9.773 8.558 ( 0.000 -17.110 -3.887) 17.546 9.872 ( 0.000 -7.246 -0.863) 7.298 10.362 ( -0.000 10.732 -14.334) 17.907 12.492 ( 0.000 -24.464 4.443) 24.864 14.458 ( -0.000 3.286 -15.936) 16.271 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 6.339 19.739 10.697) 23.329 1.660 ( 11.392 26.077 4.733) 28.848 2.977 ( 13.929 43.497 6.782) 46.174 2.982 ( 2.218 6.101 -1.475) 6.657 3.512 ( 8.660 22.995 -3.877) 24.876 5.347 ( -1.184 -1.927 -2.401) 3.299 6.908 ( 5.103 12.104 1.101) 13.182 8.361 ( -3.344 -15.487 -0.307) 15.847 9.740 ( -4.977 -7.433 -1.684) 9.102 10.383 ( -1.449 5.073 -15.468) 16.343 12.205 ( -5.321 -26.944 7.902) 28.579 14.423 ( -1.535 -0.000 -12.874) 12.965 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 9.574 15.605 7.364) 19.734 2.155 ( 14.631 23.888 4.168) 28.321 3.096 ( 3.228 9.052 -2.791) 10.008 3.585 ( 13.266 23.902 5.500) 27.884 4.008 ( 20.153 29.952 -4.176) 36.342 5.283 ( -2.933 -2.191 -2.347) 4.349 7.165 ( 8.194 15.012 1.648) 17.182 8.144 ( -6.350 -10.116 0.152) 11.945 9.585 ( -3.085 -7.094 -2.230) 8.051 10.296 ( -4.686 -1.969 -15.841) 16.636 11.850 ( -8.324 -27.293 13.010) 31.361 14.300 ( -6.340 -2.509 -12.167) 13.947 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 11.234 11.018 4.992) 16.508 2.636 ( 12.990 21.449 3.387) 25.304 3.249 ( 2.864 13.345 -3.942) 14.207 3.991 ( 12.098 13.409 4.192) 18.540 4.639 ( 20.842 21.365 -8.448) 31.020 5.211 ( -2.576 1.368 2.665) 3.951 7.475 ( 7.581 17.509 1.977) 19.182 7.973 ( -4.601 -3.645 -1.374) 6.028 9.496 ( 0.998 -5.250 -1.977) 5.698 10.075 ( -9.271 -7.451 -15.314) 19.391 11.466 ( -11.244 -26.611 16.164) 33.104 14.097 ( -8.181 -3.472 -11.906) 14.858 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 11.583 6.524 3.332) 13.705 3.027 ( 8.343 17.875 2.013) 19.828 3.432 ( 1.893 18.063 -4.254) 18.653 4.310 ( 11.007 8.301 3.696) 14.273 4.861 ( 0.048 -2.424 -12.068) 12.310 5.420 ( 12.629 15.590 7.158) 21.302 7.757 ( 4.075 16.855 1.851) 17.439 7.927 ( 0.695 3.160 -2.959) 4.385 9.505 ( 4.865 -2.596 -2.099) 5.900 9.753 ( -12.327 -8.867 -12.133) 19.437 11.029 ( -16.508 -24.302 14.248) 32.651 13.908 ( -4.394 -4.157 -9.544) 11.299 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 10.355 2.321 1.491) 10.716 3.285 ( 2.610 15.251 -0.163) 15.474 3.632 ( 0.028 19.945 -2.868) 20.150 4.545 ( 6.943 4.876 1.032) 8.547 4.743 ( -3.450 -4.057 -4.933) 7.259 5.781 ( 10.999 9.459 3.528) 14.930 7.972 ( 1.561 16.360 1.559) 16.508 8.020 ( 5.301 6.205 -3.959) 9.071 9.401 ( -10.002 -8.413 -10.763) 16.931 9.602 ( 3.666 -0.835 2.030) 4.273 10.528 ( -20.676 -17.236 8.341) 28.181 13.812 ( 1.698 -5.720 -5.418) 8.060 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 7.021 -1.571 -1.186) 7.291 3.433 ( -2.036 14.433 -1.744) 14.680 3.784 ( -3.781 17.722 -0.655) 18.132 4.579 ( -3.109 1.388 -5.136) 6.162 4.737 ( 3.683 -0.712 3.541) 5.158 5.997 ( 6.191 2.692 2.221) 7.107 8.095 ( -8.825 22.668 -0.049) 24.326 8.233 ( 15.585 -1.646 -2.860) 15.931 9.168 ( -5.108 -4.703 -4.744) 8.409 9.578 ( -5.177 -8.095 3.357) 10.178 10.136 ( -12.908 -0.804 1.423) 13.011 13.801 ( 5.488 -7.651 -1.587) 9.548 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 1.962 -4.864 -4.083) 6.647 3.485 ( -6.990 12.664 -2.467) 14.674 3.850 ( -7.756 15.449 1.901) 17.391 4.559 ( 0.284 3.140 -2.229) 3.862 4.765 ( -0.119 -2.664 1.668) 3.145 6.066 ( 0.770 -2.107 1.910) 2.946 8.132 ( -12.497 21.559 -0.348) 24.922 8.399 ( 8.183 -10.157 -1.116) 13.091 9.126 ( 3.283 0.059 1.178) 3.488 9.404 ( -2.044 -2.575 0.326) 3.303 10.045 ( -4.723 6.617 -1.572) 8.280 13.823 ( 6.331 -8.574 1.350) 10.743 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -3.156 -6.843 -5.637) 9.411 3.427 ( -11.560 9.833 -2.308) 15.351 3.830 ( -12.939 13.876 3.408) 19.276 4.639 ( 5.776 2.039 -2.406) 6.581 4.692 ( -4.383 -3.608 2.095) 6.051 5.992 ( -6.229 -5.002 1.811) 8.191 8.088 ( -14.482 16.429 -0.533) 21.907 8.289 ( -5.049 -12.509 2.273) 13.680 9.277 ( 10.121 5.420 5.557) 12.755 9.513 ( 10.248 0.620 -2.772) 10.634 10.066 ( 2.158 8.118 -5.204) 9.882 13.859 ( 6.265 -7.298 3.885) 10.373 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -7.522 -7.055 -5.309) 11.599 3.269 ( -15.641 6.356 -1.980) 16.998 3.703 ( -17.175 11.055 3.677) 20.754 4.511 ( -8.179 -7.071 -1.791) 10.959 4.818 ( 9.178 3.553 1.517) 9.958 5.757 ( -15.403 -6.700 1.470) 16.861 7.950 ( -14.268 6.354 -0.450) 15.625 8.098 ( -8.115 -2.867 3.458) 9.275 9.535 ( 4.333 0.468 -2.742) 5.150 9.641 ( 11.728 3.360 10.929) 16.379 10.313 ( 19.403 7.878 -12.461) 24.368 13.933 ( 7.182 -3.725 5.975) 10.057 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -11.651 -5.782 -3.753) 13.538 2.994 ( -21.110 2.786 -1.568) 21.351 3.507 ( -16.688 7.055 2.922) 18.352 4.258 ( -12.736 -6.380 -1.380) 14.311 5.020 ( 9.691 2.605 0.693) 10.059 5.332 ( -26.231 -7.682 1.409) 27.369 7.738 ( -16.386 3.545 0.038) 16.765 7.984 ( -3.762 -0.350 2.437) 4.496 9.502 ( 0.026 -3.210 -1.595) 3.584 10.006 ( 16.034 5.600 10.970) 20.219 10.729 ( 26.228 4.185 -13.981) 30.015 14.076 ( 8.880 0.136 6.401) 10.947 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -16.116 -3.391 -1.805) 16.567 2.594 ( -26.297 0.317 -0.893) 26.314 3.305 ( -13.211 2.845 1.479) 13.595 3.939 ( -18.238 -3.828 -0.690) 18.649 4.725 ( -35.807 -5.593 -0.536) 36.245 5.194 ( 7.702 0.855 1.463) 7.886 7.455 ( -18.625 0.986 0.030) 18.651 7.998 ( 4.331 0.932 0.924) 4.526 9.510 ( 4.246 -1.630 -0.489) 4.575 10.316 ( 11.601 2.130 5.914) 13.195 11.198 ( 28.941 2.233 -7.932) 30.091 14.265 ( 9.354 1.483 4.148) 10.339 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -20.647 0.000 0.000) 20.647 2.113 ( -29.099 0.000 0.000) 29.099 3.125 ( -9.509 0.000 0.000) 9.509 3.526 ( -29.071 0.000 0.000) 29.071 4.050 ( -36.431 0.000 0.000) 36.431 5.308 ( 4.751 -0.000 -0.000) 4.751 7.148 ( -16.824 0.000 0.000) 16.824 8.145 ( 11.484 -0.000 -0.000) 11.484 9.607 ( 7.696 -0.000 -0.000) 7.696 10.478 ( 4.870 -0.000 -0.000) 4.870 11.701 ( 29.155 -0.000 -0.000) 29.155 14.429 ( 7.578 -0.000 -0.000) 7.578 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.000 19.037 9.878) 21.447 1.827 ( -0.000 25.219 4.137) 25.556 3.010 ( -0.000 5.556 -1.280) 5.702 3.317 ( -0.000 39.001 7.597) 39.734 3.684 ( -0.000 30.175 -6.101) 30.785 5.333 ( -0.000 -1.527 -2.313) 2.771 6.989 ( -0.000 13.084 1.034) 13.125 8.239 ( 0.000 -13.076 0.557) 13.088 9.714 ( 0.000 -7.452 -1.075) 7.529 10.374 ( -0.000 0.481 -17.219) 17.225 11.985 ( 0.000 -30.399 8.561) 31.581 14.399 ( -0.000 0.071 -11.018) 11.018 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 3.633 15.738 7.398) 17.766 2.177 ( 10.486 22.866 3.569) 25.408 3.101 ( 4.161 7.211 -1.878) 8.534 3.696 ( 4.391 23.654 4.721) 24.517 4.077 ( 8.555 36.108 -5.623) 37.531 5.303 ( -1.576 -0.308 -1.135) 1.967 7.186 ( 6.673 14.415 1.512) 15.957 8.116 ( -1.994 -8.922 1.054) 9.202 9.590 ( -5.048 -5.910 -1.948) 8.012 10.272 ( -2.314 -5.020 -17.890) 18.724 11.686 ( -2.593 -31.410 11.500) 33.549 14.331 ( -3.668 -1.449 -9.755) 10.522 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 6.267 11.361 5.060) 13.926 2.620 ( 13.849 19.869 2.842) 24.385 3.283 ( 6.892 11.681 -2.837) 13.856 3.986 ( 6.181 15.218 2.668) 16.640 4.556 ( 11.664 23.936 -8.302) 27.891 5.291 ( -1.629 5.760 3.390) 6.879 7.501 ( 10.414 16.507 2.706) 19.704 8.006 ( -3.371 -3.470 -0.149) 4.840 9.451 ( -3.216 -4.287 -3.372) 6.332 10.079 ( -5.648 -8.468 -16.308) 19.223 11.357 ( -4.473 -31.175 13.895) 34.423 14.174 ( -8.140 -2.718 -9.468) 12.779 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 8.045 7.032 3.147) 11.139 3.031 ( 11.856 16.158 1.490) 20.096 3.539 ( 6.322 18.061 -3.669) 19.484 4.239 ( 8.387 9.102 2.733) 12.675 4.783 ( 3.130 2.575 -10.731) 11.470 5.456 ( 5.148 16.857 7.198) 19.039 7.804 ( 3.784 8.811 2.165) 9.831 7.997 ( 2.871 11.304 -0.128) 11.663 9.391 ( 2.276 -3.363 -4.950) 6.403 9.817 ( -8.962 -7.886 -12.648) 17.391 11.003 ( -7.080 -29.657 13.484) 33.339 13.957 ( -9.135 -3.688 -8.696) 13.140 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 8.518 3.129 1.251) 9.160 3.351 ( 7.646 14.399 -0.551) 16.312 3.802 ( 2.754 19.879 -3.274) 20.335 4.475 ( 8.945 6.619 2.055) 11.316 4.741 ( -2.473 -2.511 -5.713) 6.712 5.741 ( 6.838 11.845 4.915) 14.534 7.877 ( 3.724 1.713 -1.446) 4.347 8.252 ( 1.418 22.048 2.769) 22.266 9.376 ( 0.195 -6.570 -10.294) 12.214 9.599 ( -4.349 -0.672 -2.913) 5.277 10.618 ( -10.379 -24.570 9.569) 28.337 13.759 ( -5.020 -5.464 -6.414) 9.807 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 7.147 -0.289 -1.046) 7.229 3.579 ( 2.459 15.132 -2.403) 15.518 3.986 ( -0.512 14.804 -0.950) 14.843 4.625 ( -1.759 2.418 -7.435) 8.013 4.707 ( 3.480 4.452 6.148) 8.351 5.929 ( 5.058 2.727 3.387) 6.670 7.996 ( 9.197 0.461 -2.332) 9.500 8.459 ( -4.290 23.162 2.963) 23.742 9.196 ( -6.245 -5.627 -8.319) 11.827 9.589 ( -1.516 -1.917 2.077) 3.208 10.277 ( -8.447 -11.375 3.062) 14.496 13.644 ( 1.350 -8.087 -3.201) 8.802 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 3.733 -3.046 -3.392) 5.893 3.713 ( -3.665 15.333 -3.340) 16.115 4.084 ( -2.325 10.413 2.507) 10.960 4.573 ( -0.895 -1.416 -3.197) 3.610 4.817 ( -2.815 9.805 1.743) 10.349 6.003 ( 3.545 -4.055 2.758) 6.051 8.145 ( 9.246 -3.839 -2.435) 10.303 8.580 ( -9.880 22.474 2.176) 24.646 9.077 ( 0.744 -2.054 -1.814) 2.839 9.459 ( -7.347 -4.526 2.084) 8.877 10.154 ( -2.903 1.628 -1.974) 3.870 13.617 ( 6.190 -9.740 -0.190) 11.542 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -0.705 -4.533 -4.596) 6.493 3.723 ( -10.346 12.809 -2.967) 16.731 4.140 ( -4.889 9.944 5.451) 12.349 4.553 ( 2.545 -3.575 -3.424) 5.567 4.806 ( -8.515 7.939 0.249) 11.645 5.995 ( 0.401 -6.385 2.317) 6.804 8.167 ( 1.038 -9.098 -1.241) 9.241 8.560 ( -14.536 16.184 1.166) 21.785 9.196 ( 8.975 5.450 5.623) 11.911 9.391 ( 2.342 1.805 -2.451) 3.841 10.115 ( -2.945 1.753 -4.290) 5.491 13.656 ( 8.597 -8.659 2.092) 12.380 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -4.761 -4.332 -4.033) 7.596 3.597 ( -15.067 7.898 -1.874) 17.114 4.115 ( -13.226 10.584 5.943) 17.952 4.521 ( -1.429 -6.044 -5.248) 8.131 4.762 ( -0.513 4.180 1.286) 4.403 5.895 ( -6.556 -5.351 1.605) 8.614 8.036 ( -4.238 -7.992 0.077) 9.046 8.435 ( -16.316 11.267 1.526) 19.886 9.469 ( 7.811 9.656 1.445) 12.504 9.503 ( 9.657 -0.230 4.039) 10.471 10.100 ( 5.459 -0.408 -8.034) 9.722 13.755 ( 9.844 -5.045 3.275) 11.536 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -8.292 -2.680 -2.212) 8.991 3.358 ( -18.404 2.961 -0.878) 18.661 3.919 ( -20.644 6.672 2.862) 21.884 4.368 ( -7.138 -4.676 -2.206) 8.814 4.879 ( 8.573 1.575 0.479) 8.729 5.657 ( -16.890 -3.310 0.779) 17.229 7.903 ( -4.721 -3.130 0.324) 5.674 8.228 ( -17.690 5.380 1.084) 18.521 9.495 ( -1.939 -0.865 -1.838) 2.808 9.819 ( 14.910 4.545 8.057) 17.547 10.301 ( 20.744 -0.112 -8.477) 22.409 13.913 ( 10.783 -1.286 2.696) 11.189 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -11.956 0.000 0.000) 11.956 3.019 ( -22.537 0.000 0.000) 22.537 3.603 ( -19.023 0.000 0.000) 19.023 4.178 ( -12.195 0.000 0.000) 12.195 5.050 ( 9.643 -0.000 -0.000) 9.643 5.254 ( -27.936 0.000 0.000) 27.936 7.762 ( -13.486 0.000 0.000) 13.486 8.008 ( -7.086 0.000 0.000) 7.086 9.462 ( 0.108 -0.000 -0.000) 0.108 10.111 ( 14.574 -0.000 -0.000) 14.574 10.707 ( 27.141 -0.000 -0.000) 27.141 14.102 ( 10.804 -0.000 -0.000) 10.804 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -0.000 13.751 5.362) 14.759 2.307 ( -0.000 20.502 2.986) 20.718 3.118 ( -0.000 6.458 -1.817) 6.709 3.893 ( -0.000 19.876 1.691) 19.947 4.344 ( -0.000 33.198 -5.740) 33.690 5.331 ( -0.000 3.930 1.257) 4.126 7.258 ( -0.000 12.636 0.855) 12.665 8.068 ( 0.000 -4.715 1.713) 5.016 9.589 ( 0.000 -3.835 -0.786) 3.915 10.150 ( -0.000 -9.746 -20.675) 22.857 11.424 ( 0.000 -32.840 12.333) 35.080 14.324 ( -0.000 -1.084 -7.651) 7.727 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 2.099 10.059 3.282) 10.787 2.597 ( 9.977 17.162 2.178) 19.971 3.243 ( 7.100 8.423 -2.041) 11.204 4.082 ( 1.407 15.040 -0.839) 15.129 4.627 ( 3.346 19.199 -7.057) 20.727 5.413 ( -0.464 12.791 4.864) 13.692 7.467 ( 9.822 12.093 1.278) 15.632 8.030 ( -2.060 -0.503 0.809) 2.270 9.500 ( -6.109 -1.568 -2.186) 6.675 9.972 ( -0.155 -11.593 -18.712) 22.013 11.127 ( -1.369 -32.949 13.116) 35.490 14.245 ( -5.214 -1.468 -6.701) 8.616 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 4.475 6.171 1.737) 7.818 2.958 ( 13.099 12.822 0.902) 18.353 3.519 ( 12.755 13.573 -2.229) 18.758 4.231 ( 3.011 8.629 -1.997) 9.355 4.762 ( 0.911 5.700 -5.839) 8.211 5.604 ( 1.362 18.802 5.967) 19.773 7.809 ( 11.111 11.405 2.801) 16.167 8.014 ( 1.527 4.691 -0.948) 5.024 9.367 ( -4.838 -2.112 -5.416) 7.563 9.799 ( -2.592 -7.465 -13.138) 15.332 10.813 ( -2.562 -32.200 12.496) 34.635 14.072 ( -9.947 -2.117 -6.357) 11.993 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 6.183 2.883 0.394) 6.834 3.294 ( 12.603 10.355 -0.610) 16.323 3.881 ( 9.716 17.418 -2.714) 20.128 4.369 ( 8.412 3.590 -1.922) 9.346 4.764 ( -2.612 1.474 -1.692) 3.444 5.821 ( 1.384 14.353 4.641) 15.148 7.895 ( -2.464 4.047 -0.883) 4.820 8.332 ( 14.000 15.766 3.525) 21.377 9.271 ( -0.029 -4.394 -8.446) 9.521 9.662 ( -4.366 0.206 -7.316) 8.522 10.489 ( -3.503 -29.588 10.161) 31.480 13.838 ( -11.140 -3.300 -5.637) 12.913 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 6.386 0.281 -0.993) 6.468 3.593 ( 10.408 10.810 -2.133) 15.157 4.099 ( 0.758 10.395 -1.517) 10.532 4.610 ( 9.407 8.197 -7.385) 14.499 4.724 ( -0.325 1.689 6.674) 6.892 5.939 ( -0.897 5.229 3.476) 6.343 7.917 ( 1.703 3.348 -1.530) 4.056 8.672 ( 4.786 15.885 5.115) 17.361 9.194 ( -1.877 -3.610 -8.813) 9.707 9.625 ( -1.681 4.230 -2.493) 5.190 10.206 ( -1.195 -21.482 5.638) 22.242 13.613 ( -7.481 -5.489 -4.016) 10.111 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 4.708 -1.604 -2.306) 5.483 3.841 ( 5.485 12.958 -3.677) 14.544 4.166 ( 0.189 3.978 1.789) 4.366 4.579 ( -4.758 -2.751 -1.432) 5.679 4.977 ( 5.478 17.485 0.689) 18.336 5.926 ( -1.049 -5.174 3.000) 6.072 8.001 ( 5.115 1.227 -1.388) 5.440 8.868 ( 0.328 13.074 5.167) 14.062 9.074 ( -5.258 -1.750 -5.806) 8.026 9.574 ( -7.363 0.535 1.473) 7.528 10.124 ( 4.859 -5.158 -0.886) 7.142 13.466 ( -0.482 -7.624 -1.741) 7.835 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 1.526 -2.434 -2.829) 4.032 3.986 ( -4.195 14.448 -4.464) 15.693 4.224 ( 2.087 1.894 5.290) 5.994 4.466 ( -1.050 -7.172 -1.062) 7.326 5.129 ( -10.322 18.875 -1.542) 21.568 5.869 ( 4.288 -11.019 2.753) 12.141 8.067 ( 2.705 -2.550 -0.930) 3.832 8.882 ( -9.924 5.153 -0.829) 11.213 9.098 ( 8.604 3.362 3.312) 9.813 9.475 ( -6.439 5.842 0.974) 8.748 10.144 ( -0.443 -0.976 -3.505) 3.665 13.441 ( 6.421 -7.167 0.307) 9.627 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -2.059 -1.855 -1.966) 3.398 3.921 ( -14.173 7.347 -1.950) 16.083 4.303 ( 1.015 3.063 7.434) 8.104 4.422 ( 3.492 -5.204 -5.075) 8.064 4.994 ( -17.687 7.818 -0.995) 19.364 5.875 ( 3.418 -5.262 1.343) 6.417 8.031 ( -2.290 -3.542 -0.240) 4.224 8.751 ( -10.553 3.663 0.052) 11.171 9.324 ( 12.183 1.134 2.936) 12.583 9.499 ( 0.570 8.833 0.620) 8.873 10.057 ( -4.251 -3.281 -3.909) 6.642 13.538 ( 10.425 -3.687 1.061) 11.108 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -5.280 0.000 0.000) 5.280 3.677 ( -17.012 0.000 0.000) 17.012 4.279 ( -12.578 0.000 0.000) 12.578 4.401 ( -0.815 0.000 0.000) 0.815 4.816 ( -3.018 0.000 0.000) 3.018 5.838 ( -5.902 0.000 0.000) 5.902 7.954 ( -3.807 0.000 0.000) 3.807 8.554 ( -15.380 0.000 0.000) 15.380 9.489 ( 4.341 -0.000 -0.000) 4.341 9.648 ( 9.544 -0.000 -0.000) 9.544 10.021 ( 7.035 -0.000 -0.000) 7.035 13.715 ( 11.519 -0.000 -0.000) 11.519 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -0.000 7.335 0.543) 7.355 2.668 ( -0.000 14.030 1.874) 14.155 3.243 ( -0.000 7.430 -1.894) 7.668 4.199 ( -0.000 11.448 -4.218) 12.200 4.736 ( -0.000 11.293 -4.573) 12.184 5.592 ( -0.000 18.548 5.493) 19.345 7.468 ( -0.000 7.675 -0.069) 7.676 8.068 ( -0.000 3.457 0.394) 3.479 9.573 ( -0.000 2.657 0.102) 2.659 9.758 ( -0.000 -14.511 -19.692) 24.462 10.854 ( 0.000 -32.903 12.595) 35.231 14.264 ( -0.000 -0.638 -4.843) 4.884 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 1.701 4.124 -0.983) 4.568 2.876 ( 8.876 10.003 0.793) 13.397 3.408 ( 10.658 9.240 -1.539) 14.189 4.270 ( 0.208 6.001 -6.003) 8.490 4.812 ( -0.443 6.795 -1.382) 6.948 5.799 ( 0.146 18.558 4.640) 19.130 7.656 ( 14.007 6.225 0.325) 15.331 8.086 ( -3.058 5.559 -1.516) 6.523 9.440 ( -8.167 -5.292 -8.488) 12.913 9.691 ( 3.712 -2.000 -7.531) 8.631 10.562 ( -1.064 -31.947 11.311) 33.907 14.189 ( -6.466 -0.524 -4.054) 7.650 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 4.058 1.640 -1.434) 4.606 3.150 ( 12.866 6.843 -0.405) 14.578 3.768 ( 18.268 11.976 -1.188) 21.876 4.296 ( 1.503 1.431 -5.457) 5.839 4.842 ( -2.728 4.490 1.039) 5.356 5.977 ( -0.491 14.141 3.428) 14.558 7.984 ( 3.976 6.199 0.551) 7.385 8.137 ( 14.462 6.661 -1.719) 16.015 9.249 ( -4.500 -4.540 -7.642) 9.963 9.704 ( -1.070 3.741 -4.933) 6.283 10.265 ( -1.719 -29.922 9.533) 31.451 14.008 ( -11.880 -1.016 -3.730) 12.493 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 5.483 0.096 -1.490) 5.682 3.446 ( 14.457 5.843 -1.210) 15.640 4.146 ( 6.337 9.458 -1.411) 11.472 4.401 ( 16.230 3.576 -4.042) 17.103 4.812 ( -5.093 1.765 3.064) 6.201 6.066 ( -3.643 7.912 2.572) 9.082 7.975 ( -3.865 4.441 -1.942) 6.199 8.595 ( 20.562 8.087 2.949) 22.291 9.158 ( -0.455 -0.073 -6.419) 6.436 9.703 ( -2.158 5.872 -4.793) 7.881 9.990 ( -0.538 -25.873 7.741) 27.011 13.754 ( -13.786 -2.158 -3.174) 14.311 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 5.209 -0.747 -1.480) 5.467 3.746 ( 13.997 5.836 -1.809) 15.273 4.205 ( -0.743 2.248 -0.250) 2.381 4.677 ( -5.764 2.956 -3.221) 7.235 4.876 ( 19.804 7.147 3.401) 21.327 6.009 ( -9.004 0.684 1.966) 9.241 7.975 ( 0.297 2.882 -1.205) 3.138 8.889 ( 6.404 3.253 3.128) 7.834 9.157 ( -3.308 3.639 -3.736) 6.176 9.712 ( -4.657 4.947 -1.271) 6.912 9.871 ( 12.429 -13.890 1.981) 18.744 13.500 ( -10.537 -3.521 -2.014) 11.291 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 3.417 -0.865 -1.154) 3.709 4.020 ( 11.557 6.249 -2.451) 13.365 4.213 ( 0.108 0.294 1.666) 1.695 4.516 ( -10.284 -2.397 0.186) 10.561 5.312 ( 15.316 13.524 -0.870) 20.451 5.789 ( -12.268 -8.404 1.851) 14.985 8.017 ( 2.094 0.749 -0.456) 2.270 9.005 ( 5.634 1.173 1.114) 5.862 9.046 ( -8.500 -0.175 -0.760) 8.536 9.652 ( -6.242 4.215 1.384) 7.658 10.043 ( 10.650 -2.111 -1.702) 10.990 13.345 ( -2.281 -3.238 -0.566) 4.002 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 0.765 -0.000 -0.000) 0.765 4.175 ( -7.877 0.000 0.000) 7.877 4.246 ( 9.482 -0.000 -0.000) 9.482 4.342 ( -3.977 0.000 0.000) 3.977 5.395 ( -21.300 0.000 0.000) 21.300 5.691 ( 13.714 -0.000 -0.000) 13.714 8.038 ( -0.058 0.000 0.000) 0.058 8.905 ( -7.321 0.000 0.000) 7.321 9.144 ( 9.548 -0.000 -0.000) 9.548 9.586 ( -4.509 0.000 0.000) 4.509 10.104 ( -1.523 0.000 0.000) 1.523 13.367 ( 6.509 -0.000 -0.000) 6.509 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -0.000 1.595 -3.289) 3.655 2.885 ( -0.000 7.251 0.666) 7.281 3.385 ( -0.000 7.534 -1.211) 7.631 4.288 ( -0.000 2.479 -6.904) 7.335 4.887 ( -0.000 6.773 0.950) 6.840 5.981 ( -0.000 15.263 3.068) 15.569 7.559 ( -0.000 2.227 -0.925) 2.412 8.174 ( -0.000 7.028 -3.103) 7.682 9.388 ( -0.000 -10.284 -12.185) 15.945 9.680 ( -0.000 6.967 0.854) 7.019 10.297 ( 0.000 -30.199 9.515) 31.663 14.236 ( -0.000 0.289 -2.653) 2.669 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 2.217 -0.053 -3.407) 4.066 3.018 ( 8.124 4.565 -0.064) 9.319 3.570 ( 13.308 7.286 -0.723) 15.189 4.279 ( -0.050 0.380 -5.507) 5.521 4.938 ( -1.864 5.278 1.660) 5.839 6.117 ( -0.177 10.706 1.792) 10.856 7.730 ( 17.777 1.799 -0.293) 17.871 8.189 ( -4.240 5.857 -4.621) 8.581 9.250 ( -2.987 -3.834 -6.628) 8.219 9.754 ( -0.149 6.178 -0.433) 6.195 10.032 ( -0.878 -27.126 7.638) 28.195 14.168 ( -7.438 0.293 -2.057) 7.723 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 4.564 -0.496 -2.191) 5.087 3.241 ( 13.261 2.974 -0.517) 13.601 3.956 ( 22.301 6.991 -0.243) 23.372 4.265 ( 0.653 -0.641 -3.604) 3.719 4.930 ( -4.541 2.864 1.719) 5.637 6.194 ( -1.654 6.381 1.236) 6.707 8.086 ( 0.518 4.073 -0.196) 4.111 8.211 ( 22.299 2.188 -2.929) 22.596 9.183 ( -2.182 3.338 -3.696) 5.438 9.728 ( -2.799 -13.686 1.016) 14.006 9.841 ( -0.793 -4.847 3.312) 5.924 13.979 ( -13.463 -0.217 -1.700) 13.572 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 5.459 -0.373 -0.949) 5.553 3.516 ( 15.701 1.890 -0.540) 15.823 4.230 ( -0.267 1.186 -0.441) 1.293 4.473 ( 27.052 3.763 -1.788) 27.371 4.849 ( -7.376 0.244 1.730) 7.580 6.177 ( -6.409 2.396 0.811) 6.890 8.028 ( -4.110 1.780 -1.197) 4.636 8.694 ( 22.029 1.441 0.882) 22.094 9.236 ( 0.770 11.141 -3.142) 11.601 9.535 ( 3.922 -19.027 2.289) 19.561 9.819 ( -3.109 2.329 0.241) 3.892 13.712 ( -15.720 -0.726 -1.037) 15.771 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 4.861 -0.000 -0.000) 4.861 3.798 ( 15.598 -0.000 -0.000) 15.598 4.223 ( -0.555 0.000 0.000) 0.555 4.696 ( -10.295 0.000 0.000) 10.295 4.968 ( 26.759 -0.000 -0.000) 26.759 6.018 ( -13.290 0.000 0.000) 13.290 8.001 ( 0.006 -0.000 -0.000) 0.006 8.919 ( 6.335 -0.000 -0.000) 6.335 9.198 ( -9.056 0.000 0.000) 9.056 9.726 ( 22.286 -0.000 -0.000) 22.286 9.766 ( -4.600 0.000 0.000) 4.600 13.457 ( -11.968 0.000 0.000) 11.968 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -0.000 -1.026 -3.666) 3.807 2.982 ( -0.000 2.770 0.001) 2.770 3.505 ( -0.000 4.717 -0.462) 4.739 4.264 ( -0.000 -0.230 -3.895) 3.902 5.008 ( -0.000 4.096 1.377) 4.321 6.206 ( -0.000 6.439 0.520) 6.460 7.569 ( -0.000 -0.042 -0.837) 0.838 8.266 ( -0.000 4.396 -4.758) 6.478 9.242 ( -0.000 1.183 -3.598) 3.787 9.809 ( 0.000 -23.189 5.362) 23.800 9.818 ( -0.000 5.457 0.746) 5.508 14.234 ( -0.000 0.565 -1.113) 1.249 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 2.916 -0.693 -1.895) 3.546 3.073 ( 8.012 1.292 -0.127) 8.116 3.669 ( 14.514 2.702 -0.181) 14.765 4.251 ( -0.074 -0.251 -1.884) 1.902 5.021 ( -2.503 1.970 0.800) 3.284 6.254 ( 0.038 2.992 0.188) 2.998 7.745 ( 20.120 0.266 -0.181) 20.123 8.239 ( -5.057 1.919 -2.938) 6.155 9.257 ( -1.426 6.162 -1.778) 6.570 9.605 ( -2.114 -16.695 3.093) 17.110 9.864 ( 0.008 2.711 0.347) 2.733 14.166 ( -7.984 0.259 -0.614) 8.012 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 4.951 -0.000 -0.000) 4.951 3.268 ( 13.486 -0.000 -0.000) 13.486 4.027 ( 24.558 -0.000 -0.000) 24.558 4.243 ( -0.365 0.000 0.000) 0.365 4.965 ( -5.241 0.000 0.000) 5.241 6.259 ( -1.762 0.000 0.000) 1.762 8.134 ( -6.805 0.000 0.000) 6.805 8.210 ( 31.208 -0.000 -0.000) 31.208 9.291 ( 0.864 -0.000 -0.000) 0.864 9.449 ( -4.978 0.000 0.000) 4.978 9.869 ( -1.254 0.000 0.000) 1.254 13.972 ( -14.081 0.000 0.000) 14.081 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 6.267 ( -0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 8.291 ( 0.000 0.000 0.000) 0.000 9.309 ( -0.000 0.000 -0.000) 0.000 9.533 ( 0.000 -0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 14.237 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.243 ( 0.000 -0.000 24.111) 24.111 0.243 ( 0.000 -0.000 24.111) 24.111 0.472 ( 0.000 -0.000 46.931) 46.931 2.826 ( -0.000 0.000 -1.312) 1.312 2.826 ( -0.000 0.000 -1.312) 1.312 6.397 ( -0.000 0.000 -4.907) 4.907 6.556 ( 0.000 -0.000 0.754) 0.754 6.556 ( 0.000 -0.000 0.754) 0.754 10.037 ( -0.000 0.000 -0.464) 0.464 10.037 ( -0.000 0.000 -0.464) 0.464 13.010 ( 0.000 -0.000 1.263) 1.263 13.502 ( -0.000 0.000 -0.571) 0.571 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 23.829 13.757 10.510) 29.454 0.712 ( 16.523 9.539 23.110) 29.968 1.264 ( 45.413 26.219 14.914) 54.518 2.835 ( 1.529 0.883 -2.275) 2.879 2.952 ( 10.278 5.934 -1.198) 11.929 5.448 ( -5.869 -3.389 5.446) 8.694 6.612 ( 4.394 2.537 1.144) 5.201 8.796 ( 15.905 9.183 -34.079) 38.712 9.967 ( 6.354 3.668 -20.138) 21.433 9.994 ( -3.583 -2.069 -0.467) 4.163 12.891 ( -10.693 -6.174 3.810) 12.922 14.269 ( 20.178 11.650 -35.091) 42.121 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 18.094 10.447 14.926) 25.677 1.282 ( 24.592 14.198 6.617) 29.158 2.349 ( 44.554 25.723 8.526) 52.148 2.879 ( 3.077 1.777 -3.113) 4.724 3.275 ( 17.959 10.369 -1.006) 20.762 5.374 ( -2.571 -1.484 -1.880) 3.514 6.761 ( 8.190 4.729 1.198) 9.533 8.622 ( -15.883 -9.170 0.075) 18.341 9.880 ( -5.965 -3.444 -0.394) 6.899 10.135 ( 11.272 6.508 -26.125) 29.187 12.589 ( -16.786 -9.691 9.122) 21.422 14.386 ( 1.237 0.714 -19.180) 19.233 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 18.336 10.586 8.761) 22.913 1.848 ( 22.842 13.188 5.234) 26.890 2.952 ( 4.197 2.423 -3.801) 6.159 3.288 ( 33.049 19.081 6.718) 38.749 3.780 ( 27.690 15.987 -1.835) 32.026 5.296 ( -3.530 -2.038 -4.037) 5.736 6.984 ( 10.614 6.128 0.827) 12.283 8.256 ( -14.642 -8.454 0.971) 16.935 9.736 ( -6.019 -3.475 -0.184) 6.953 10.223 ( 2.416 1.395 -20.974) 21.159 12.209 ( -19.775 -11.417 15.707) 27.715 14.264 ( -5.637 -3.254 -16.828) 18.043 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 17.424 10.060 4.709) 20.664 2.350 ( 19.333 11.162 4.686) 22.810 3.043 ( 4.909 2.834 -4.350) 7.145 3.886 ( 19.593 11.312 5.000) 23.169 4.493 ( 31.703 18.304 -4.697) 36.908 5.190 ( -4.172 -2.409 -1.938) 5.193 7.232 ( 10.380 5.993 0.142) 11.987 8.002 ( -6.855 -3.958 -0.957) 7.973 9.625 ( -3.233 -1.867 0.181) 3.738 10.095 ( -7.621 -4.400 -17.864) 19.913 11.780 ( -23.376 -13.496 19.237) 33.146 14.066 ( -5.721 -3.303 -15.651) 16.988 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 15.347 8.860 2.004) 17.834 2.750 ( 13.962 8.061 4.348) 16.697 3.148 ( 5.682 3.281 -4.576) 7.999 4.281 ( 14.025 8.097 3.590) 16.588 4.900 ( 0.749 0.432 -14.486) 14.512 5.297 ( 17.850 10.306 8.102) 22.147 7.437 ( 7.304 4.217 -0.560) 8.453 7.953 ( 3.193 1.844 -2.530) 4.472 9.603 ( 1.279 0.738 0.588) 1.590 9.790 ( -13.189 -7.615 -14.631) 21.119 11.239 ( -29.164 -16.838 15.940) 37.258 13.939 ( -1.183 -0.683 -10.934) 11.019 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 12.055 6.960 -0.391) 13.926 3.003 ( 7.039 4.064 2.701) 8.565 3.278 ( 6.721 3.880 -3.154) 8.377 4.541 ( 7.092 4.095 -0.217) 8.192 4.779 ( -3.916 -2.261 -5.766) 7.328 5.727 ( 15.243 8.801 3.267) 17.902 7.558 ( 3.599 2.078 -0.930) 4.258 8.123 ( 12.007 6.932 -3.591) 14.322 9.445 ( -12.337 -7.123 -9.930) 17.365 9.675 ( 4.248 2.453 0.815) 4.973 10.569 ( -32.239 -18.613 9.589) 38.441 13.931 ( 2.290 1.322 -5.024) 5.678 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 6.922 3.996 -3.415) 8.691 3.110 ( 2.428 1.402 0.212) 2.812 3.410 ( 4.688 2.707 -0.668) 5.454 4.546 ( -2.524 -1.457 -4.982) 5.772 4.794 ( 3.043 1.757 2.223) 4.158 5.997 ( 7.601 4.388 1.904) 8.980 7.608 ( 1.347 0.778 -0.863) 1.779 8.447 ( 16.575 9.570 -4.761) 19.722 9.201 ( -6.135 -3.542 -4.137) 8.203 9.773 ( 3.388 1.956 0.773) 3.988 9.881 ( -28.556 -16.487 5.038) 33.356 13.982 ( 2.488 1.436 -0.823) 2.988 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -0.302 -0.174 -6.641) 6.650 3.131 ( -0.344 -0.199 -1.171) 1.237 3.471 ( 0.472 0.272 0.846) 1.006 4.524 ( 2.211 1.276 -0.793) 2.673 4.828 ( -1.006 -0.581 1.133) 1.623 6.089 ( -0.120 -0.069 1.943) 1.948 7.624 ( 0.295 0.170 -0.481) 0.589 8.731 ( 3.494 2.017 -4.062) 5.725 9.156 ( 1.967 1.136 1.260) 2.597 9.433 ( -4.325 -2.497 0.790) 5.057 9.814 ( -0.236 -0.136 0.518) 0.585 14.024 ( 0.877 0.506 1.938) 2.187 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -6.862 -3.962 -7.923) 11.205 3.084 ( -3.439 -1.985 -2.090) 4.487 3.439 ( -3.460 -1.998 1.961) 4.450 4.641 ( 7.077 4.086 2.711) 8.610 4.750 ( -5.730 -3.308 -0.991) 6.690 6.001 ( -8.315 -4.801 2.417) 9.901 7.618 ( -0.856 -0.494 0.054) 0.990 8.510 ( -15.625 -9.021 1.154) 18.079 9.307 ( 10.722 6.190 6.093) 13.799 9.742 ( 24.301 14.030 -8.251) 29.248 9.766 ( -3.812 -2.201 0.097) 4.403 14.039 ( -0.170 -0.098 4.562) 4.566 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -11.357 -6.557 -7.004) 14.867 2.947 ( -8.207 -4.738 -2.700) 9.854 3.341 ( -5.447 -3.145 2.781) 6.877 4.549 ( -11.049 -6.379 0.413) 12.765 4.850 ( 9.532 5.504 0.622) 11.025 5.719 ( -17.205 -9.933 2.859) 20.071 7.574 ( -3.431 -1.981 0.550) 4.000 8.187 ( -12.023 -6.942 2.544) 14.115 9.653 ( 16.153 9.326 10.199) 21.258 9.662 ( -4.482 -2.587 -0.398) 5.190 10.314 ( 27.640 15.958 -14.954) 35.245 14.065 ( 1.125 0.650 7.570) 7.681 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -14.916 -8.612 -5.023) 17.941 2.681 ( -14.242 -8.222 -2.502) 16.634 3.223 ( -5.478 -3.163 2.799) 6.917 4.246 ( -15.445 -8.917 -0.190) 17.835 5.044 ( 4.379 2.528 -5.928) 7.791 5.244 ( -22.619 -13.059 8.575) 27.490 7.451 ( -7.619 -4.399 0.737) 8.828 8.006 ( -4.069 -2.349 2.494) 5.319 9.589 ( -1.180 -0.681 -0.743) 1.552 10.065 ( 15.491 8.944 11.533) 21.284 10.879 ( 26.463 15.278 -18.327) 35.631 14.156 ( 4.382 2.530 9.610) 10.860 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -18.087 -10.443 -2.736) 21.064 2.285 ( -19.500 -11.258 -1.694) 22.581 3.110 ( -5.086 -2.937 2.260) 6.293 3.836 ( -20.823 -12.022 0.048) 24.044 4.505 ( -32.842 -18.962 -2.943) 38.037 5.251 ( 5.045 2.913 3.586) 6.840 7.235 ( -10.993 -6.347 0.501) 12.704 8.026 ( 5.240 3.025 1.277) 6.184 9.615 ( 3.558 2.054 -0.771) 4.180 10.386 ( 8.724 5.037 8.831) 13.396 11.417 ( 25.696 14.835 -14.543) 33.043 14.318 ( 6.564 3.790 8.397) 11.312 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -20.632 -11.912 -0.179) 23.824 1.789 ( -23.295 -13.449 -0.497) 26.903 3.007 ( -4.491 -2.593 1.531) 5.407 3.226 ( -34.628 -19.992 0.877) 39.994 3.772 ( -27.292 -15.757 -2.529) 31.616 5.347 ( 2.697 1.557 0.942) 3.253 6.976 ( -11.143 -6.434 0.138) 12.868 8.242 ( 13.013 7.513 -0.523) 15.035 9.732 ( 6.344 3.663 -0.623) 7.352 10.509 ( 0.160 0.092 5.052) 5.056 11.961 ( 24.640 14.226 -6.958) 29.290 14.482 ( 5.324 3.074 3.638) 7.143 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -22.036 -12.723 4.177) 25.786 1.228 ( -25.580 -14.769 1.471) 29.574 2.278 ( -46.465 -26.827 1.920) 53.688 2.918 ( -3.475 -2.007 0.671) 4.069 3.266 ( -17.409 -10.051 -1.905) 20.192 5.388 ( 1.025 0.592 -0.295) 1.220 6.749 ( -8.406 -4.853 0.026) 9.707 8.592 ( 17.321 10.000 -2.889) 20.208 9.879 ( 6.195 3.577 -0.496) 7.171 10.435 ( -7.297 -4.213 0.410) 8.436 12.474 ( 20.689 11.945 -0.984) 23.910 14.564 ( 1.667 0.963 -4.375) 4.780 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 0.000 25.753 12.567) 28.656 0.801 ( 0.000 18.898 24.166) 30.678 1.311 ( -0.000 49.219 18.340) 52.525 2.846 ( -0.000 2.592 -1.642) 3.068 2.926 ( -0.000 10.885 -2.773) 11.233 5.462 ( 0.000 -9.435 5.439) 10.891 6.609 ( -0.000 4.876 0.992) 4.976 8.609 ( -0.000 27.177 -38.364) 47.015 9.987 ( 0.000 -4.376 -0.848) 4.457 10.020 ( -0.000 11.081 -15.963) 19.432 12.893 ( 0.000 -13.512 3.935) 14.073 14.135 ( -0.000 26.095 -32.894) 41.988 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 8.543 16.649 19.970) 27.368 1.173 ( 13.909 24.447 8.992) 29.529 2.100 ( 25.770 44.328 11.262) 52.497 2.872 ( 0.577 4.294 -2.671) 5.090 3.141 ( 10.465 14.071 -2.388) 17.698 5.386 ( -1.856 -3.298 -1.138) 3.952 6.717 ( 4.696 7.398 1.318) 8.861 8.651 ( -0.929 -10.808 -6.640) 12.718 9.864 ( -4.301 -4.886 -4.889) 8.141 10.103 ( 0.610 15.223 -20.836) 25.812 12.684 ( -7.256 -17.887 7.367) 20.661 14.293 ( 4.698 7.885 -22.901) 24.672 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 12.081 14.556 13.195) 23.063 1.706 ( 17.105 22.402 6.724) 28.977 2.934 ( 1.862 6.053 -3.661) 7.315 3.017 ( 29.173 33.257 8.301) 45.012 3.535 ( 18.995 17.137 -2.797) 25.736 5.314 ( -2.621 -2.187 -3.982) 5.245 6.917 ( 7.587 10.226 1.429) 12.814 8.388 ( -11.254 -13.417 1.103) 17.547 9.731 ( -2.241 -8.095 -3.030) 8.929 10.172 ( 0.284 8.762 -20.985) 22.742 12.368 ( -11.189 -19.686 13.000) 26.110 14.270 ( -3.449 0.256 -18.301) 18.625 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 13.894 12.149 7.556) 19.943 2.226 ( 15.957 20.327 5.477) 26.417 3.025 ( 2.257 7.816 -4.414) 9.256 3.706 ( 19.000 17.110 6.549) 26.394 4.152 ( 29.095 23.016 -4.643) 37.388 5.226 ( -3.514 -1.822 -3.258) 5.127 7.174 ( 8.078 12.662 1.173) 15.066 8.090 ( -9.757 -7.968 0.015) 12.597 9.616 ( -1.029 -6.999 -1.549) 7.241 10.108 ( -4.987 -0.928 -18.435) 19.120 12.001 ( -14.599 -20.743 17.623) 30.887 14.098 ( -7.302 -1.869 -16.864) 18.472 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 14.262 9.098 3.552) 17.286 2.677 ( 12.140 17.623 4.575) 21.883 3.136 ( 2.286 10.009 -4.920) 11.385 4.138 ( 14.480 10.337 5.012) 18.484 4.749 ( 15.990 10.337 -13.713) 23.465 5.212 ( 5.192 6.099 6.318) 10.201 7.429 ( 5.185 13.982 0.602) 14.925 7.930 ( -1.943 -2.351 -1.754) 3.518 9.564 ( 1.928 -3.688 -0.838) 4.245 9.870 ( -10.688 -6.876 -15.408) 19.973 11.546 ( -21.298 -21.830 16.572) 34.710 13.924 ( -3.861 -1.565 -13.086) 13.734 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 13.096 5.429 0.397) 14.182 3.002 ( 5.830 13.449 2.712) 14.907 3.277 ( 2.683 13.278 -3.997) 14.123 4.447 ( 9.920 6.029 2.790) 11.939 4.784 ( -2.271 -2.379 -10.705) 11.199 5.576 ( 15.559 12.022 5.731) 20.481 7.616 ( -0.055 14.320 -0.109) 14.320 7.974 ( 8.152 1.747 -2.998) 8.860 9.532 ( -9.599 -8.242 -12.156) 17.546 9.617 ( 2.566 -0.407 0.836) 2.730 10.945 ( -28.556 -20.729 10.499) 36.815 13.864 ( 2.219 -1.552 -6.843) 7.360 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 9.975 1.063 -2.816) 10.419 3.171 ( 0.293 10.994 -0.700) 11.020 3.448 ( 1.101 14.294 -1.094) 14.378 4.554 ( -1.070 -0.134 -5.512) 5.617 4.751 ( 3.490 0.501 1.454) 3.814 5.907 ( 9.983 6.824 3.272) 12.527 7.715 ( -4.425 14.359 -0.577) 15.036 8.204 ( 16.056 3.386 -4.065) 16.905 9.257 ( -7.834 -5.998 -6.577) 11.857 9.697 ( 3.904 -1.765 1.680) 4.602 10.280 ( -29.388 -13.501 4.501) 32.653 13.900 ( 5.307 -2.682 -1.756) 6.200 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 4.833 -3.380 -5.985) 8.403 3.243 ( -3.498 10.290 -2.874) 11.242 3.564 ( -3.117 12.299 0.848) 12.716 4.509 ( -0.191 0.824 -3.571) 3.670 4.817 ( 1.833 -1.131 2.601) 3.377 6.075 ( 3.509 1.795 2.641) 4.744 7.757 ( -6.902 14.423 -0.555) 15.999 8.510 ( 16.923 -0.573 -5.277) 17.736 9.138 ( 0.075 -1.181 -0.699) 1.374 9.555 ( -13.037 -12.462 3.058) 18.293 9.910 ( -7.616 6.055 -0.087) 9.730 13.959 ( 5.106 -4.126 1.373) 6.706 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -0.751 -6.711 -8.031) 10.493 3.231 ( -7.544 8.488 -3.492) 11.881 3.587 ( -7.744 10.099 1.969) 12.878 4.568 ( 5.413 3.313 -1.398) 6.499 4.791 ( -2.874 -4.048 1.997) 5.351 6.079 ( -3.823 -2.710 2.926) 5.525 7.763 ( -8.327 13.405 -0.187) 15.782 8.572 ( -2.885 -13.012 -1.847) 13.455 9.212 ( 6.900 2.978 3.821) 8.430 9.462 ( 11.230 3.382 -2.512) 11.994 9.887 ( -4.106 6.938 -1.266) 8.161 13.998 ( 3.854 -4.756 3.671) 7.137 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -5.796 -8.407 -7.960) 12.948 3.130 ( -11.409 5.967 -3.133) 13.250 3.516 ( -11.309 7.611 2.583) 13.874 4.644 ( -6.386 -6.016 -2.331) 9.078 4.742 ( 7.914 4.008 2.445) 9.202 5.904 ( -12.382 -6.803 3.466) 14.547 7.730 ( -9.679 10.593 0.322) 14.352 8.298 ( -10.206 -11.873 1.529) 15.731 9.475 ( 14.835 5.369 5.573) 16.733 9.662 ( 4.199 -2.784 0.837) 5.107 10.032 ( 15.313 15.512 -10.535) 24.209 14.034 ( 3.785 -3.639 5.931) 7.921 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -10.314 -8.684 -6.024) 14.768 2.925 ( -16.739 2.647 -2.518) 17.133 3.385 ( -11.701 5.021 2.639) 13.003 4.403 ( -12.258 -7.962 -0.385) 14.622 4.943 ( 8.949 4.210 -2.237) 10.140 5.538 ( -21.608 -10.670 5.025) 24.617 7.629 ( -12.139 5.878 0.716) 13.507 8.065 ( -6.336 -6.184 2.420) 9.179 9.574 ( -0.295 -4.618 -1.624) 4.904 9.906 ( 16.502 8.332 10.279) 21.152 10.505 ( 25.428 12.755 -15.777) 32.530 14.112 ( 5.562 -0.931 7.475) 9.364 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -14.884 -8.086 -3.165) 17.232 2.589 ( -22.417 -0.898 -1.422) 22.480 3.243 ( -10.039 2.795 1.956) 10.602 4.068 ( -17.334 -8.485 0.246) 19.301 4.879 ( -26.445 -9.383 -7.428) 29.027 5.204 ( 1.953 -1.158 8.044) 8.358 7.432 ( -14.834 0.932 0.795) 14.884 7.992 ( 0.983 -0.358 1.819) 2.099 9.550 ( 2.896 -2.403 -1.263) 3.969 10.270 ( 13.295 5.025 6.083) 15.460 11.031 ( 27.899 10.826 -12.316) 32.361 14.253 ( 7.417 1.488 6.453) 9.943 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -19.437 -6.852 0.173) 20.610 2.141 ( -26.544 -3.378 -0.013) 26.758 3.110 ( -8.173 0.957 0.980) 8.287 3.625 ( -26.133 -8.886 1.572) 27.647 4.169 ( -35.767 -11.862 -3.078) 37.808 5.303 ( 4.430 0.754 1.195) 4.650 7.164 ( -15.336 -1.782 0.587) 15.450 8.102 ( 9.261 3.568 0.502) 9.937 9.619 ( 7.094 -0.797 -0.957) 7.203 10.475 ( 5.889 0.841 0.191) 5.952 11.594 ( 28.674 9.674 -4.330) 30.570 14.414 ( 6.915 1.745 2.058) 7.422 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -22.964 -4.805 4.570) 23.902 1.626 ( -29.174 -3.648 1.929) 29.464 2.926 ( -45.349 -9.486 3.175) 46.439 2.990 ( -6.189 -0.381 -0.129) 6.202 3.543 ( -24.843 -5.167 -2.331) 25.482 5.364 ( 2.273 0.196 -0.820) 2.424 6.900 ( -12.897 -1.713 0.468) 13.019 8.366 ( 16.061 4.588 -0.657) 16.716 9.752 ( 8.803 -0.378 -0.804) 8.848 10.490 ( -2.523 -2.114 -5.298) 6.237 12.154 ( 26.594 6.954 1.845) 27.550 14.515 ( 3.690 0.373 -5.009) 6.233 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.000 17.827 19.708) 26.575 1.331 ( -0.000 26.223 8.244) 27.489 2.415 ( -0.000 50.833 10.799) 51.968 2.904 ( -0.000 4.448 -2.113) 4.925 3.203 ( -0.000 18.826 -4.048) 19.256 5.363 ( -0.000 -3.013 -2.383) 3.842 6.762 ( -0.000 9.725 1.246) 9.804 8.517 ( 0.000 -11.947 -4.115) 12.636 9.862 ( 0.000 -7.293 -1.105) 7.377 10.169 ( -0.000 13.433 -23.147) 26.762 12.557 ( 0.000 -23.616 8.214) 25.003 14.269 ( -0.000 8.792 -20.696) 22.486 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 4.869 16.170 15.392) 22.849 1.719 ( 11.312 24.606 6.861) 27.937 2.960 ( 1.596 6.274 -2.905) 7.096 3.058 ( 13.465 43.016 9.106) 45.984 3.467 ( 9.129 21.410 -4.965) 23.799 5.316 ( -1.427 -1.854 -3.861) 4.514 6.922 ( 5.302 12.141 1.579) 13.342 8.362 ( -2.752 -14.536 0.650) 14.808 9.717 ( -5.816 -6.938 -3.047) 9.552 10.197 ( -0.650 6.856 -20.881) 21.987 12.304 ( -3.883 -26.223 11.634) 28.950 14.268 ( -1.340 3.527 -17.619) 18.018 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 7.992 13.386 10.147) 18.601 2.206 ( 14.472 22.784 5.868) 27.622 3.062 ( 2.617 9.329 -3.957) 10.466 3.648 ( 12.396 21.847 6.907) 26.051 3.957 ( 20.568 29.478 -5.895) 36.424 5.255 ( -2.534 -0.484 -3.101) 4.034 7.185 ( 8.221 15.336 2.157) 17.534 8.149 ( -6.907 -10.519 0.792) 12.609 9.556 ( -2.857 -7.004 -3.775) 8.454 10.124 ( -4.058 -0.881 -17.927) 18.401 11.994 ( -6.565 -27.317 15.353) 32.017 14.158 ( -6.675 0.118 -15.992) 17.330 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 10.007 9.928 5.658) 15.189 2.677 ( 12.681 20.335 4.880) 24.457 3.205 ( 2.489 13.569 -4.833) 14.618 4.037 ( 12.106 12.493 4.932) 18.082 4.542 ( 17.715 17.999 -10.671) 27.416 5.242 ( 0.687 5.875 3.230) 6.739 7.499 ( 7.155 18.232 2.595) 19.757 7.961 ( -5.425 -4.185 -0.954) 6.917 9.468 ( 1.727 -5.848 -3.732) 7.149 9.922 ( -8.480 -6.262 -14.903) 18.254 11.629 ( -10.873 -27.761 15.999) 33.836 13.967 ( -7.854 -1.136 -13.708) 15.839 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 10.596 6.094 1.934) 12.375 3.051 ( 7.638 16.266 2.799) 18.187 3.390 ( 2.256 18.715 -4.206) 19.314 4.349 ( 10.494 7.614 3.691) 13.480 4.737 ( 1.876 0.575 -12.308) 12.463 5.491 ( 11.389 14.274 6.994) 19.554 7.779 ( 3.415 17.081 2.440) 17.589 7.900 ( -0.135 3.493 -2.406) 4.244 9.462 ( 3.603 -5.083 -6.830) 9.245 9.652 ( -8.663 -5.629 -7.502) 12.768 11.159 ( -18.192 -25.900 11.716) 33.749 13.814 ( -2.774 -2.508 -8.982) 9.730 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 9.321 2.170 -1.667) 9.715 3.281 ( 1.871 14.069 -0.749) 14.213 3.610 ( 0.868 20.484 -1.292) 20.543 4.536 ( 3.094 2.787 -3.693) 5.566 4.709 ( 1.412 -0.114 -1.147) 1.823 5.823 ( 9.979 8.831 4.651) 14.114 7.977 ( 10.631 0.944 -2.558) 10.975 7.995 ( -5.158 22.509 1.034) 23.115 9.298 ( -7.299 -7.444 -9.633) 14.195 9.619 ( 4.161 -0.523 1.482) 4.448 10.596 ( -23.059 -18.855 5.231) 30.242 13.766 ( 3.581 -5.003 -3.702) 7.180 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 5.918 -1.492 -5.169) 7.997 3.408 ( -2.354 13.983 -3.048) 14.504 3.787 ( -3.105 18.396 1.305) 18.702 4.522 ( -1.604 1.703 -6.363) 6.779 4.775 ( 2.871 -0.222 4.101) 5.011 6.027 ( 5.683 2.498 3.525) 7.139 8.091 ( -7.468 20.509 -0.841) 21.843 8.208 ( 13.134 1.828 -2.099) 13.425 9.127 ( -2.363 -3.744 -3.482) 5.633 9.611 ( -4.830 -7.939 3.142) 9.809 10.139 ( -14.581 -2.294 -0.797) 14.782 13.793 ( 6.896 -7.436 0.041) 10.142 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 1.208 -4.310 -7.432) 8.676 3.451 ( -6.913 12.808 -4.049) 15.108 3.876 ( -7.644 16.565 3.130) 18.511 4.525 ( 1.714 2.883 -4.512) 5.622 4.790 ( -0.861 -2.939 3.316) 4.514 6.093 ( 0.571 -2.257 3.317) 4.052 8.127 ( -11.781 20.365 -0.576) 23.535 8.383 ( 8.192 -6.938 -2.150) 10.948 9.144 ( 5.540 1.431 2.240) 6.144 9.408 ( -4.340 -4.221 0.609) 6.085 10.022 ( -4.832 5.562 -2.814) 7.887 13.842 ( 7.422 -8.465 2.410) 11.513 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -3.309 -5.704 -7.480) 9.972 3.396 ( -11.249 10.341 -3.746) 15.733 3.865 ( -13.388 14.911 3.525) 20.347 4.592 ( 4.127 -0.360 -6.110) 7.382 4.730 ( -2.068 -2.317 4.716) 5.647 6.019 ( -6.297 -5.424 3.473) 9.008 8.083 ( -13.476 14.625 -0.430) 19.892 8.306 ( -4.856 -9.640 1.148) 10.855 9.324 ( 9.861 5.624 3.166) 11.785 9.495 ( 11.810 1.644 -0.121) 11.925 10.009 ( -0.277 6.146 -6.018) 8.607 13.899 ( 7.350 -7.329 4.065) 11.148 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -7.240 -5.594 -5.603) 10.729 3.244 ( -15.422 6.986 -2.885) 17.175 3.737 ( -17.609 11.445 2.988) 21.213 4.491 ( -6.938 -7.396 -2.358) 10.411 4.824 ( 8.156 3.299 -0.185) 8.800 5.784 ( -15.245 -7.524 3.900) 17.442 7.949 ( -13.485 5.663 0.212) 14.627 8.129 ( -8.505 -2.155 2.538) 9.133 9.499 ( 3.814 -1.183 -4.185) 5.784 9.751 ( 13.648 5.367 10.597) 18.093 10.188 ( 17.112 7.952 -12.169) 22.453 13.988 ( 8.198 -4.392 4.749) 10.443 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -11.208 -4.338 -2.687) 12.315 2.978 ( -20.852 3.450 -1.560) 21.193 3.530 ( -17.038 6.615 1.691) 18.355 4.249 ( -12.256 -6.498 -0.363) 13.877 4.986 ( 5.683 3.212 -6.353) 9.109 5.380 ( -22.640 -8.901 7.127) 25.349 7.743 ( -16.211 3.221 1.068) 16.562 8.005 ( -4.121 -0.856 1.642) 4.518 9.482 ( 0.753 -2.702 -2.524) 3.773 10.083 ( 14.842 3.656 3.211) 15.620 10.619 ( 26.412 7.649 -6.868) 28.342 14.125 ( 9.396 -1.606 3.328) 10.096 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -15.678 -2.297 0.540) 15.855 2.591 ( -26.049 0.850 0.194) 26.064 3.312 ( -13.341 1.963 0.011) 13.484 3.942 ( -17.943 -3.800 1.154) 18.377 4.697 ( -33.715 -3.469 -4.793) 34.230 5.219 ( 5.213 -1.424 3.255) 6.309 7.461 ( -18.744 0.662 1.128) 18.790 8.005 ( 4.132 0.219 0.405) 4.158 9.500 ( 4.521 -0.981 -1.486) 4.859 10.323 ( 11.199 -0.147 -4.796) 12.184 11.168 ( 29.290 6.773 2.126) 30.138 14.282 ( 9.176 -0.987 -0.754) 9.260 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -20.045 0.382 3.870) 20.419 2.123 ( -28.800 0.348 2.150) 28.882 3.118 ( -9.495 -0.908 -1.445) 9.647 3.542 ( -28.636 -0.333 3.038) 28.798 4.040 ( -36.310 1.358 -2.140) 36.398 5.301 ( 4.401 -0.763 -1.261) 4.642 7.153 ( -16.896 -0.218 0.890) 16.921 8.144 ( 11.593 -0.203 -0.056) 11.595 9.601 ( 7.702 0.492 -1.061) 7.790 10.428 ( 4.726 -2.050 -9.711) 10.993 11.743 ( 28.713 3.770 7.972) 30.037 14.395 ( 6.961 -2.229 -6.613) 9.857 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.000 15.099 13.900) 20.523 1.877 ( -0.000 23.843 5.801) 24.538 2.990 ( -0.000 5.733 -2.700) 6.337 3.402 ( -0.000 37.332 9.334) 38.481 3.616 ( -0.000 29.515 -7.435) 30.437 5.303 ( -0.000 -0.600 -3.672) 3.721 7.001 ( -0.000 12.991 1.286) 13.055 8.251 ( 0.000 -12.356 1.798) 12.486 9.703 ( 0.000 -7.391 -1.075) 7.469 10.169 ( -0.000 1.499 -22.973) 23.022 12.093 ( 0.000 -29.700 12.784) 32.334 14.265 ( -0.000 3.665 -15.508) 15.935 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 3.056 12.485 10.306) 16.475 2.221 ( 10.560 21.608 5.004) 24.565 3.076 ( 3.804 7.503 -3.245) 9.016 3.740 ( 4.223 20.025 3.541) 20.769 4.023 ( 8.435 36.663 -4.801) 37.926 5.287 ( -1.261 2.194 -2.057) 3.261 7.202 ( 7.198 14.360 1.655) 16.148 8.130 ( -2.506 -9.034 1.772) 9.541 9.567 ( -6.108 -5.666 -2.672) 8.750 10.078 ( -0.630 -4.616 -20.285) 20.813 11.818 ( -1.959 -31.309 14.656) 34.625 14.212 ( -4.092 1.705 -13.771) 14.467 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 5.566 9.163 6.450) 12.512 2.656 ( 13.833 18.447 4.328) 23.460 3.249 ( 6.315 12.212 -4.020) 14.324 4.010 ( 7.131 13.367 1.804) 15.257 4.474 ( 9.636 22.259 -7.786) 25.474 5.322 ( -0.029 9.538 2.677) 9.906 7.530 ( 11.071 16.778 2.918) 20.312 8.005 ( -4.246 -3.948 -0.003) 5.798 9.412 ( -3.752 -4.512 -4.575) 7.441 9.915 ( -4.059 -7.699 -15.819) 18.056 11.503 ( -4.103 -32.070 15.074) 35.672 14.065 ( -8.574 0.044 -12.238) 14.943 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 7.322 5.716 2.947) 9.745 3.052 ( 11.382 14.436 2.723) 18.584 3.500 ( 6.162 18.779 -3.900) 20.146 4.260 ( 9.332 7.422 1.230) 11.987 4.684 ( 2.665 5.850 -8.839) 10.929 5.522 ( 5.414 16.353 5.927) 18.217 7.824 ( 1.710 5.893 1.794) 6.393 8.000 ( 4.412 14.552 0.756) 15.225 9.332 ( 1.625 -4.633 -6.874) 8.448 9.701 ( -6.660 -6.108 -10.279) 13.687 11.134 ( -7.915 -31.114 12.607) 34.491 13.864 ( -8.771 -1.546 -9.653) 13.134 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 7.629 2.473 -0.351) 8.028 3.347 ( 6.822 13.128 -0.160) 14.796 3.777 ( 3.507 20.325 -1.601) 20.687 4.470 ( 7.696 4.347 -3.445) 9.487 4.703 ( -0.453 2.030 -1.307) 2.457 5.791 ( 6.365 10.949 4.841) 13.559 7.862 ( 3.064 1.472 -1.453) 3.697 8.284 ( 0.951 23.269 3.703) 23.581 9.270 ( -1.261 -6.686 -10.452) 12.472 9.575 ( 0.023 -0.020 -2.113) 2.113 10.703 ( -12.570 -25.892 7.442) 29.728 13.697 ( -3.734 -4.308 -5.817) 8.144 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 6.052 -0.308 -3.468) 6.982 3.553 ( 1.859 14.437 -2.688) 14.802 3.991 ( 0.499 15.500 1.845) 15.617 4.544 ( -0.412 3.547 -8.635) 9.345 4.766 ( 2.367 4.402 5.474) 7.412 5.966 ( 4.771 2.290 3.921) 6.586 7.972 ( 8.560 0.916 -2.382) 8.932 8.493 ( -5.176 24.179 3.833) 25.022 9.120 ( -3.816 -4.820 -6.761) 9.139 9.606 ( 0.145 -1.876 1.265) 2.267 10.297 ( -11.258 -12.828 0.851) 17.089 13.618 ( 2.862 -7.739 -2.050) 8.502 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 2.767 -2.289 -5.621) 6.670 3.675 ( -3.721 15.083 -4.212) 16.096 4.121 ( -1.601 11.301 4.711) 12.348 4.529 ( -0.781 1.486 -5.323) 5.582 4.838 ( -3.034 6.849 2.291) 7.834 6.036 ( 3.355 -4.296 3.671) 6.572 8.118 ( 8.781 -2.675 -2.976) 9.649 8.604 ( -10.794 22.074 2.586) 24.708 9.068 ( 3.969 -0.433 -0.123) 3.994 9.479 ( -8.284 -5.507 1.915) 10.130 10.124 ( -3.693 1.061 -3.957) 5.516 13.619 ( 7.439 -9.745 0.634) 12.276 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -1.160 -3.024 -5.810) 6.652 3.686 ( -9.876 13.255 -4.350) 17.093 4.198 ( -4.900 11.038 5.866) 13.427 4.516 ( 1.255 -2.285 -3.933) 4.719 4.808 ( -7.288 5.472 0.269) 9.117 6.024 ( 0.200 -6.866 3.494) 7.707 8.149 ( 1.343 -7.678 -2.236) 8.109 8.577 ( -13.779 15.095 2.186) 20.555 9.255 ( 10.778 7.580 6.245) 14.581 9.366 ( 0.249 0.502 -2.483) 2.546 10.065 ( -3.642 1.154 -5.677) 6.843 13.678 ( 9.552 -8.964 2.093) 13.265 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -4.752 -2.399 -4.061) 6.695 3.571 ( -14.627 8.881 -3.283) 17.424 4.168 ( -14.777 11.223 4.329) 19.054 4.476 ( -0.773 -5.824 -3.492) 6.835 4.767 ( 0.038 2.904 -0.067) 2.905 5.919 ( -6.609 -6.333 3.158) 9.683 8.033 ( -3.813 -7.410 -0.629) 8.357 8.457 ( -16.025 10.325 2.704) 19.254 9.427 ( 4.190 4.428 -5.762) 8.388 9.595 ( 14.570 5.529 10.163) 18.605 10.017 ( 3.241 0.075 -8.434) 9.036 13.783 ( 10.506 -6.016 2.146) 12.295 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -8.083 -0.736 -1.269) 8.215 3.344 ( -18.107 4.061 -1.759) 18.640 3.937 ( -21.251 4.988 0.553) 21.836 4.357 ( -6.483 -3.423 0.034) 7.332 4.867 ( 7.744 1.879 -2.630) 8.391 5.679 ( -16.421 -4.806 3.359) 17.436 7.905 ( -4.534 -3.303 0.114) 5.611 8.244 ( -17.831 4.191 1.971) 18.422 9.466 ( -0.843 1.199 -3.875) 4.143 9.865 ( 12.603 -0.799 0.174) 12.630 10.253 ( 21.662 5.709 -0.280) 22.403 13.929 ( 10.984 -3.149 0.318) 11.431 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -11.761 1.539 1.562) 11.964 3.019 ( -22.218 0.854 0.058) 22.235 3.595 ( -18.923 -1.451 -1.625) 19.048 4.187 ( -12.266 0.632 1.746) 12.405 4.996 ( 3.760 2.945 -8.990) 10.179 5.299 ( -22.340 -3.531 7.377) 23.790 7.768 ( -13.122 -0.411 1.104) 13.174 8.006 ( -7.480 -1.240 -0.414) 7.593 9.454 ( 0.263 1.509 -1.487) 2.135 10.061 ( 14.356 -3.232 -9.221) 17.366 10.757 ( 27.253 5.044 9.049) 29.156 14.084 ( 10.441 -2.400 -3.500) 11.270 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -15.962 4.106 3.713) 16.895 2.609 ( -25.937 0.148 2.035) 26.017 3.283 ( -13.077 -3.598 -2.814) 13.852 3.956 ( -18.137 3.717 2.640) 18.701 4.705 ( -33.746 7.203 -4.479) 34.796 5.192 ( 5.528 -2.557 1.001) 6.173 7.460 ( -18.698 -1.516 1.058) 18.789 7.987 ( 4.782 -1.590 -1.321) 5.210 9.509 ( 4.078 2.502 -0.636) 4.826 10.219 ( 11.764 -3.763 -12.775) 17.770 11.313 ( 28.506 1.432 14.067) 31.821 14.200 ( 8.632 -3.682 -8.565) 12.706 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 0.000 10.192 7.980) 12.945 2.343 ( -0.000 19.473 4.203) 19.921 3.093 ( -0.000 6.744 -3.182) 7.457 3.899 ( -0.000 17.494 -0.509) 17.502 4.295 ( -0.000 31.939 -3.903) 32.176 5.338 ( -0.000 7.435 0.252) 7.439 7.266 ( -0.000 12.295 0.719) 12.316 8.087 ( 0.000 -5.132 2.004) 5.509 9.582 ( 0.000 -3.550 -0.530) 3.589 9.933 ( -0.000 -9.156 -22.182) 23.997 11.562 ( 0.000 -33.126 14.915) 36.329 14.227 ( -0.000 1.998 -11.500) 11.672 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 2.156 7.066 5.115) 8.986 2.626 ( 9.833 15.989 3.454) 19.086 3.216 ( 6.963 8.966 -3.311) 11.825 4.066 ( 2.029 12.914 -2.305) 13.274 4.567 ( 2.516 19.241 -5.075) 20.057 5.454 ( 0.057 15.221 3.277) 15.570 7.479 ( 10.741 11.746 1.018) 15.949 8.037 ( -2.687 -1.287 0.485) 3.019 9.472 ( -7.705 -2.105 -3.602) 8.762 9.792 ( 1.991 -9.596 -16.449) 19.147 11.266 ( -1.354 -33.978 14.371) 36.917 14.161 ( -5.635 1.308 -9.831) 11.407 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 4.403 4.080 2.564) 6.527 2.974 ( 12.788 11.391 2.259) 17.274 3.493 ( 12.478 14.447 -3.075) 19.336 4.206 ( 4.190 6.494 -2.925) 8.263 4.714 ( 0.446 8.971 -3.947) 9.811 5.656 ( 1.636 18.422 4.309) 18.990 7.836 ( 11.275 10.704 2.580) 15.759 8.001 ( 2.238 4.400 -1.622) 5.196 9.306 ( -5.468 -3.370 -6.765) 9.329 9.683 ( -1.596 -4.452 -9.744) 10.831 10.939 ( -2.910 -33.676 12.456) 36.024 13.998 ( -10.302 0.214 -8.306) 13.235 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 5.837 1.716 0.338) 6.094 3.294 ( 12.027 9.286 0.503) 15.203 3.857 ( 9.760 17.946 -1.975) 20.524 4.338 ( 8.670 2.233 -4.065) 9.832 4.757 ( -1.841 4.713 0.118) 5.062 5.863 ( 1.419 13.494 3.619) 14.043 7.885 ( -2.839 3.446 -1.196) 4.623 8.366 ( 15.590 16.022 3.258) 22.591 9.187 ( -1.060 -4.363 -8.226) 9.372 9.598 ( -2.919 1.591 -5.446) 6.380 10.587 ( -4.670 -30.853 9.203) 32.533 13.778 ( -10.946 -1.635 -6.282) 12.726 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 5.691 0.020 -1.678) 5.933 3.575 ( 9.523 10.315 -1.378) 14.106 4.098 ( 1.962 10.591 1.216) 10.840 4.526 ( 6.780 7.137 -8.965) 13.314 4.790 ( 2.316 4.125 5.992) 7.634 5.971 ( -0.771 4.570 2.965) 5.502 7.902 ( 1.663 3.417 -1.448) 4.067 8.725 ( 5.064 16.065 5.265) 17.648 9.112 ( -1.652 -2.144 -7.584) 8.052 9.599 ( 0.632 4.004 -2.743) 4.894 10.257 ( -3.913 -22.511 4.555) 23.298 13.574 ( -6.664 -4.590 -3.709) 8.901 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 3.890 -0.938 -3.172) 5.106 3.806 ( 4.495 12.724 -3.422) 13.922 4.196 ( 1.611 3.806 4.133) 5.845 4.549 ( -3.466 0.365 -4.339) 5.565 4.989 ( 3.739 15.290 1.475) 15.809 5.956 ( -0.693 -5.628 3.009) 6.420 7.987 ( 4.896 1.746 -1.370) 5.375 8.922 ( -0.491 13.164 5.364) 14.224 9.022 ( -3.319 -1.097 -4.443) 5.653 9.586 ( -6.072 0.723 1.041) 6.202 10.109 ( 2.541 -5.893 -2.143) 6.766 13.451 ( 0.568 -7.306 -1.190) 7.424 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 0.995 -0.926 -3.387) 3.649 3.938 ( -3.875 14.119 -4.995) 15.469 4.279 ( 2.572 2.526 5.098) 6.244 4.456 ( -1.291 -6.759 -0.398) 6.893 5.111 ( -10.628 18.283 -2.135) 21.255 5.901 ( 4.165 -11.487 3.392) 12.681 8.056 ( 2.606 -1.778 -1.300) 3.413 8.876 ( -9.177 4.238 -0.164) 10.109 9.132 ( 9.548 2.826 3.397) 10.521 9.488 ( -7.312 6.367 1.840) 9.869 10.101 ( -1.274 -0.183 -5.004) 5.167 13.445 ( 7.197 -7.329 0.374) 10.279 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -2.153 0.165 -1.999) 2.943 3.891 ( -13.240 9.079 -3.854) 16.510 4.337 ( 0.708 -0.411 -2.944) 3.055 4.421 ( 2.836 -3.609 7.048) 8.411 4.977 ( -17.486 8.853 -2.555) 19.765 5.895 ( 3.188 -6.696 2.510) 7.829 8.026 ( -2.152 -3.010 -0.785) 3.782 8.760 ( -9.916 3.042 1.616) 10.497 9.327 ( 9.887 -0.336 -2.074) 10.108 9.528 ( 2.761 8.026 4.912) 9.806 10.014 ( -5.035 -0.218 -4.653) 6.859 13.545 ( 10.708 -4.493 0.283) 11.615 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -5.129 2.063 0.390) 5.542 3.668 ( -16.793 1.737 -1.687) 16.966 4.236 ( -9.962 -4.297 -6.268) 12.530 4.453 ( -3.942 2.999 8.061) 9.461 4.802 ( -3.046 0.569 -2.786) 4.167 5.847 ( -5.726 -1.562 1.684) 6.169 7.952 ( -3.790 0.017 -0.528) 3.827 8.562 ( -15.449 -1.356 1.639) 15.595 9.455 ( 5.486 2.829 -6.222) 8.765 9.655 ( 6.561 -7.316 0.840) 9.863 10.040 ( 8.831 6.718 3.504) 11.636 13.707 ( 11.293 -1.404 -1.538) 11.483 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -8.169 4.329 2.716) 9.636 3.362 ( -18.210 -1.845 -0.097) 18.303 3.883 ( -19.494 -7.469 -4.182) 21.291 4.400 ( -8.590 4.678 3.909) 10.533 4.856 ( 7.953 -0.822 -3.962) 8.924 5.664 ( -16.295 1.692 2.052) 16.510 7.898 ( -4.463 2.996 -0.645) 5.414 8.223 ( -18.120 -6.904 0.061) 19.390 9.500 ( -1.858 3.647 -1.131) 4.247 9.725 ( 13.916 -7.467 -9.721) 18.545 10.402 ( 22.008 2.890 11.124) 24.829 13.876 ( 10.023 -0.285 -4.697) 11.073 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -11.749 6.641 4.016) 14.081 3.009 ( -20.728 -2.159 1.593) 20.901 3.473 ( -16.465 -7.291 -3.807) 18.406 4.278 ( -12.907 5.852 2.683) 14.423 4.968 ( 6.630 -0.049 -8.821) 11.035 5.355 ( -23.436 4.748 5.207) 24.472 7.743 ( -16.544 -4.142 0.982) 17.083 7.957 ( -3.399 -0.264 -2.933) 4.497 9.512 ( -0.465 4.195 0.294) 4.231 9.882 ( 15.671 -6.230 -13.186) 21.407 10.879 ( 27.394 -2.526 15.382) 31.519 14.000 ( 7.643 -1.329 -8.604) 11.585 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 0.000 4.287 2.665) 5.048 2.692 ( -0.000 13.027 2.895) 13.345 3.218 ( -0.000 8.069 -3.026) 8.618 4.153 ( -0.000 9.460 -4.630) 10.532 4.698 ( -0.000 13.372 -3.053) 13.716 5.637 ( -0.000 18.946 3.455) 19.259 7.466 ( -0.000 7.229 -0.348) 7.238 8.068 ( -0.000 2.215 -0.511) 2.273 9.570 ( -0.000 -12.264 -17.533) 21.397 9.575 ( -0.000 3.031 0.382) 3.055 10.983 ( 0.000 -34.425 13.098) 36.832 14.200 ( -0.000 1.867 -7.745) 7.966 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 2.088 1.755 1.002) 2.906 2.890 ( 8.539 8.951 1.908) 12.517 3.388 ( 10.720 10.055 -2.459) 14.902 4.214 ( 0.683 4.900 -4.910) 6.970 4.800 ( -0.529 9.200 -1.165) 9.289 5.836 ( 0.290 17.864 2.701) 18.070 7.658 ( 15.007 5.875 -0.020) 16.115 8.066 ( -3.382 4.236 -2.493) 5.967 9.343 ( -5.827 -7.098 -10.116) 13.662 9.642 ( 1.346 2.984 -2.722) 4.258 10.675 ( -1.122 -33.732 11.093) 35.527 14.137 ( -6.779 1.622 -6.295) 9.392 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 4.307 0.264 0.227) 4.321 3.152 ( 12.520 6.080 0.836) 13.943 3.753 ( 18.190 12.715 -1.753) 22.262 4.249 ( 1.997 1.279 -3.892) 4.558 4.850 ( -2.401 5.934 0.496) 6.421 6.003 ( -0.246 13.378 1.884) 13.513 7.984 ( -0.374 5.449 -0.513) 5.486 8.119 ( 20.426 6.237 -1.818) 21.434 9.176 ( -4.073 -3.449 -6.665) 8.538 9.665 ( -2.275 5.387 -2.817) 6.491 10.357 ( -1.894 -31.428 8.852) 32.706 13.963 ( -12.159 0.737 -5.098) 13.205 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 5.322 -0.321 -0.297) 5.340 3.440 ( 13.976 5.534 0.031) 15.031 4.141 ( 6.576 9.839 0.428) 11.842 4.354 ( 15.027 4.127 -5.327) 16.469 4.842 ( -3.310 2.118 2.774) 4.810 6.085 ( -3.399 7.314 1.366) 8.180 7.956 ( -3.533 4.364 -1.811) 5.900 8.619 ( 22.582 7.462 1.818) 23.853 9.098 ( -1.040 1.381 -5.408) 5.677 9.662 ( -2.783 5.655 -3.330) 7.129 10.064 ( -1.200 -26.072 7.074) 27.041 13.720 ( -13.741 -0.818 -3.691) 14.252 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 4.740 -0.335 -0.846) 4.827 3.733 ( 13.144 6.153 -0.828) 14.536 4.214 ( 0.207 1.608 2.063) 2.624 4.623 ( -0.869 6.471 -6.777) 9.411 4.921 ( 14.784 4.608 4.792) 16.210 6.024 ( -8.648 0.032 0.986) 8.704 7.965 ( 0.555 3.218 -0.798) 3.362 8.915 ( 6.312 1.496 1.958) 6.776 9.124 ( -2.127 5.709 -2.851) 6.726 9.685 ( -0.334 5.255 -3.475) 6.309 9.906 ( 6.916 -14.393 4.477) 16.584 13.480 ( -10.137 -2.583 -1.952) 10.642 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 3.026 0.266 -0.977) 3.191 3.994 ( 9.366 7.654 -2.628) 12.378 4.245 ( 2.334 -1.120 4.329) 5.044 4.505 ( -9.732 -1.632 -2.441) 10.165 5.308 ( 13.573 13.540 -0.131) 19.172 5.804 ( -10.989 -9.550 1.241) 14.611 8.014 ( 2.017 1.188 -0.313) 2.362 8.998 ( 1.419 0.953 -1.570) 2.321 9.056 ( -3.774 -0.453 1.970) 4.281 9.663 ( -5.462 3.351 0.911) 6.472 10.028 ( 9.339 -0.753 -1.329) 9.463 13.340 ( -1.908 -2.773 -0.429) 3.393 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 0.739 1.633 -0.145) 1.798 4.137 ( -3.905 7.952 -5.165) 10.254 4.276 ( 0.108 -11.446 2.664) 11.753 4.349 ( 1.376 3.410 2.332) 4.354 5.388 ( -21.120 3.290 -1.389) 21.420 5.699 ( 13.508 -3.754 1.421) 14.092 8.037 ( -0.158 0.488 -0.257) 0.573 8.911 ( -7.045 0.575 1.099) 7.154 9.138 ( 9.032 -1.808 -1.205) 9.289 9.590 ( -4.136 -2.038 0.833) 4.686 10.101 ( -1.623 3.324 -0.621) 3.750 13.365 ( 6.366 -0.162 -0.245) 6.373 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -1.788 3.598 1.527) 4.298 3.928 ( -14.790 -4.876 -0.623) 15.585 4.233 ( 0.080 -3.291 -6.160) 6.984 4.480 ( 5.148 2.779 6.036) 8.406 4.997 ( -18.405 -6.588 -0.464) 19.554 5.869 ( 3.797 3.715 0.122) 5.313 8.031 ( -2.513 3.931 -0.336) 4.678 8.759 ( -11.064 -4.385 1.590) 12.007 9.275 ( 10.431 -3.125 -6.309) 12.585 9.509 ( 1.746 -8.218 2.130) 8.667 10.092 ( -3.034 5.579 2.921) 6.990 13.524 ( 9.781 3.097 -1.670) 10.394 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -4.478 5.744 3.217) 7.962 3.607 ( -15.225 -6.760 0.075) 16.658 4.056 ( -12.140 -9.436 -5.516) 16.335 4.579 ( -2.299 4.426 6.164) 7.929 4.738 ( -1.331 -4.212 -3.404) 5.577 5.888 ( -6.167 4.303 0.338) 7.528 8.031 ( -4.537 8.353 -0.955) 9.554 8.427 ( -16.830 -12.596 -0.002) 21.022 9.383 ( 11.609 -6.177 -10.004) 16.523 9.530 ( 3.861 -1.760 3.802) 5.697 10.175 ( 8.235 0.299 6.894) 10.744 13.719 ( 8.818 4.524 -3.882) 10.644 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -7.508 7.818 3.969) 11.543 3.282 ( -15.375 -5.728 0.802) 16.427 3.665 ( -16.987 -10.498 -3.693) 20.308 4.529 ( -8.579 5.571 1.888) 10.402 4.790 ( 8.204 -2.600 -4.001) 9.491 5.756 ( -14.781 5.686 1.337) 15.893 7.958 ( -14.869 -7.060 1.097) 16.497 8.061 ( -7.859 2.934 -3.994) 9.291 9.509 ( 14.465 -6.984 -9.915) 18.877 9.582 ( -0.694 4.363 1.135) 4.561 10.431 ( 22.346 -8.372 10.912) 26.240 13.871 ( 5.745 3.680 -6.225) 9.236 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 0.000 -0.305 -0.115) 0.326 2.896 ( -0.000 6.406 1.493) 6.578 3.369 ( -0.000 8.304 -1.945) 8.529 4.231 ( -0.000 2.619 -4.520) 5.223 4.892 ( -0.000 8.047 -0.001) 8.047 6.002 ( -0.000 14.417 1.081) 14.458 7.550 ( -0.000 2.104 -0.924) 2.298 8.140 ( -0.000 5.738 -3.750) 6.854 9.281 ( -0.000 -6.636 -9.083) 11.249 9.689 ( -0.000 7.061 0.808) 7.107 10.390 ( 0.000 -32.178 8.902) 33.387 14.199 ( -0.000 2.103 -4.703) 5.152 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 2.583 -1.072 0.288) 2.811 3.023 ( 7.930 4.009 0.916) 8.933 3.559 ( 13.347 7.898 -1.376) 15.570 4.237 ( 0.143 1.109 -2.885) 3.094 4.948 ( -1.757 5.740 0.329) 6.012 6.127 ( 0.082 10.112 0.118) 10.113 7.726 ( 18.500 1.795 -0.449) 18.592 8.145 ( -4.285 5.456 -4.076) 8.047 9.192 ( -2.544 -1.201 -4.978) 5.718 9.752 ( -1.204 6.410 -0.069) 6.522 10.104 ( -0.675 -28.901 6.773) 29.692 14.139 ( -7.627 1.810 -3.653) 8.648 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 4.656 -0.755 1.148) 4.854 3.242 ( 13.095 2.721 0.694) 13.393 3.949 ( 22.524 7.514 -1.086) 23.770 4.241 ( 0.402 0.199 -1.234) 1.313 4.941 ( -4.134 2.692 0.473) 4.956 6.200 ( -1.340 6.042 -0.131) 6.190 8.080 ( -5.193 4.636 -1.012) 7.034 8.188 ( 29.080 2.220 -1.578) 29.207 9.148 ( -2.515 4.642 -3.196) 6.171 9.728 ( -3.891 -7.055 -0.639) 8.082 9.885 ( -0.153 -12.642 5.065) 13.620 13.957 ( -13.595 1.106 -2.731) 13.910 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 5.161 -0.168 1.352) 5.338 3.517 ( 15.503 1.971 0.768) 15.646 4.235 ( -0.406 0.875 1.385) 1.688 4.446 ( 25.538 5.942 -3.499) 26.452 4.866 ( -5.431 -1.077 1.583) 5.758 6.178 ( -6.262 1.991 -0.484) 6.589 8.021 ( -3.919 2.620 -0.229) 4.720 8.698 ( 22.734 0.881 -0.155) 22.752 9.202 ( 0.820 11.862 -3.573) 12.416 9.546 ( 2.221 -16.824 0.134) 16.971 9.840 ( -2.198 -0.246 3.699) 4.310 13.699 ( -15.650 0.488 -1.529) 15.732 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 4.539 0.558 1.067) 4.696 3.803 ( 15.366 0.725 1.038) 15.418 4.233 ( -0.370 -0.630 2.057) 2.183 4.669 ( -8.479 2.393 -4.897) 10.080 4.984 ( 24.946 -1.957 2.925) 25.193 6.012 ( -13.232 -0.656 -1.179) 13.301 8.004 ( -0.136 0.531 0.637) 0.841 8.915 ( 6.299 -1.013 -0.920) 6.446 9.198 ( -8.632 1.671 -0.076) 8.792 9.670 ( 13.141 0.711 -6.835) 14.829 9.827 ( 4.192 -1.504 7.620) 8.826 13.456 ( -11.866 1.041 -0.110) 11.912 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 3.446 1.738 1.050) 3.999 4.041 ( 12.087 -3.555 1.713) 12.715 4.214 ( -1.085 -3.319 1.743) 3.903 4.500 ( -9.931 3.507 -3.113) 10.982 5.325 ( 16.177 -13.818 1.760) 21.347 5.768 ( -12.950 7.668 -2.342) 15.231 8.022 ( 1.914 -0.367 0.550) 2.025 8.981 ( 4.643 -2.354 -2.950) 5.983 9.067 ( -7.717 1.255 2.762) 8.292 9.636 ( -5.629 -4.608 -1.711) 7.473 10.061 ( 10.347 2.613 1.784) 10.820 13.351 ( -2.667 3.826 0.621) 4.705 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 1.964 3.443 1.631) 4.287 4.023 ( -5.513 -14.378 2.784) 15.648 4.180 ( 0.822 -1.106 -3.214) 3.497 4.474 ( 0.860 6.983 0.515) 7.055 5.141 ( -10.497 -19.133 0.845) 21.840 5.847 ( 4.827 10.444 -1.558) 11.611 8.074 ( 2.526 3.205 0.477) 4.109 8.891 ( -9.032 -7.046 0.860) 11.487 9.069 ( 5.844 -1.908 -2.185) 6.524 9.468 ( -5.162 -5.957 -0.415) 7.893 10.171 ( 0.274 1.397 1.805) 2.299 13.439 ( 5.456 7.303 -0.174) 9.117 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -0.109 5.356 2.420) 5.878 3.742 ( -10.914 -12.079 0.804) 16.299 4.094 ( -5.453 -8.729 -3.470) 10.862 4.581 ( 3.516 3.181 2.038) 5.161 4.804 ( -9.326 -8.928 -0.110) 12.911 5.980 ( 0.793 5.838 -0.610) 5.923 8.172 ( 0.499 10.156 -0.084) 10.169 8.555 ( -15.052 -17.599 0.117) 23.158 9.144 ( 6.781 -3.127 -4.666) 8.805 9.415 ( 4.306 -2.836 2.368) 5.673 10.149 ( -2.001 -2.282 2.408) 3.875 13.637 ( 7.450 8.780 -1.713) 11.642 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -2.728 7.213 2.678) 8.164 3.441 ( -11.682 -9.282 0.259) 14.923 3.800 ( -12.928 -12.860 -2.435) 18.397 4.624 ( 2.268 -4.157 -3.797) 6.070 4.704 ( -1.935 4.770 3.070) 5.994 5.984 ( -5.895 4.488 0.284) 7.414 8.093 ( -15.172 -18.177 0.409) 23.680 8.262 ( -5.491 14.348 -2.901) 15.634 9.220 ( 8.659 -3.913 -5.600) 11.029 9.544 ( 9.835 -0.515 3.371) 10.410 10.111 ( 4.722 -9.655 3.567) 11.324 13.824 ( 5.038 7.732 -2.999) 9.703 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 0.000 -1.327 1.638) 2.108 2.986 ( -0.000 2.378 0.816) 2.515 3.498 ( -0.000 5.214 -0.996) 5.308 4.238 ( -0.000 0.786 -1.249) 1.476 5.014 ( -0.000 4.095 -0.096) 4.096 6.204 ( -0.000 6.306 -0.851) 6.363 7.562 ( -0.000 0.193 -0.477) 0.514 8.228 ( -0.000 5.236 -2.884) 5.978 9.209 ( -0.000 3.147 -2.955) 4.317 9.824 ( -0.000 5.262 0.348) 5.273 9.858 ( 0.000 -25.025 4.252) 25.384 14.215 ( -0.000 1.812 -2.651) 3.211 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 2.856 -0.574 3.471) 4.531 3.077 ( 8.003 1.068 0.851) 8.119 3.664 ( 14.477 3.110 -0.803) 14.829 4.245 ( -0.037 0.780 0.566) 0.964 5.022 ( -2.434 1.704 -0.662) 3.044 6.250 ( 0.165 3.140 -0.926) 3.277 7.743 ( 20.199 0.458 -0.227) 20.206 8.223 ( -5.038 3.841 -0.267) 6.341 9.237 ( -1.565 7.119 -2.136) 7.596 9.629 ( -2.264 -18.104 1.789) 18.333 9.868 ( 0.252 2.087 0.451) 2.150 14.153 ( -8.012 1.371 -1.927) 8.354 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 4.465 0.051 3.954) 5.965 3.274 ( 13.548 -0.097 1.245) 13.605 4.021 ( 24.189 0.363 -1.184) 24.220 4.256 ( -0.195 1.116 2.459) 2.707 4.959 ( -5.107 -0.585 -1.247) 5.289 6.253 ( -1.805 -0.083 -1.207) 2.173 8.128 ( -0.879 0.090 -0.883) 1.249 8.223 ( 24.808 1.687 2.310) 24.973 9.284 ( 0.603 4.732 -1.354) 4.959 9.447 ( -4.706 -4.998 -0.377) 6.875 9.875 ( -0.813 -0.546 1.209) 1.556 13.967 ( -13.962 1.142 -0.999) 14.045 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 4.902 0.284 3.005) 5.756 3.528 ( 15.876 -1.831 1.937) 16.098 4.242 ( 0.349 -1.275 1.948) 2.354 4.480 ( 26.027 -1.350 -0.241) 26.063 4.833 ( -7.287 -1.929 -1.371) 7.661 6.162 ( -6.518 -2.783 -2.048) 7.378 8.044 ( -4.420 -1.223 2.004) 5.004 8.681 ( 21.105 -2.090 -1.845) 21.289 9.265 ( 0.564 -9.660 2.753) 10.060 9.500 ( 4.144 19.652 -4.532) 20.589 9.835 ( -2.202 -3.690 3.225) 5.373 13.719 ( -15.495 1.942 0.385) 15.621 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 5.039 0.702 1.741) 5.377 3.769 ( 14.509 -5.597 2.961) 15.831 4.219 ( -1.567 -2.626 2.357) 3.861 4.672 ( -8.162 1.467 -4.375) 9.376 4.869 ( 22.332 -10.770 2.000) 24.874 5.985 ( -9.083 -1.137 -2.748) 9.557 7.988 ( -0.088 -2.738 1.428) 3.089 8.854 ( 6.334 -4.785 -3.792) 8.798 9.199 ( -3.665 -1.096 4.546) 5.942 9.700 ( -5.225 1.524 -3.578) 6.514 9.875 ( 13.413 6.669 2.743) 15.229 13.519 ( -10.648 4.585 1.774) 11.728 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 5.068 1.682 0.904) 5.416 3.878 ( 5.821 -13.345 3.576) 14.992 4.162 ( -1.352 -3.766 0.887) 4.099 4.575 ( -4.560 5.057 -2.286) 7.182 4.977 ( 5.962 -19.022 0.695) 19.947 5.898 ( -0.840 4.902 -2.510) 5.571 8.014 ( 5.139 -0.744 1.209) 5.331 8.820 ( 0.818 -12.868 -4.354) 13.609 9.137 ( -6.556 3.025 6.716) 9.861 9.556 ( -8.111 -0.670 -2.034) 8.389 10.126 ( 6.309 3.905 -0.446) 7.433 13.485 ( -1.382 8.253 2.034) 8.612 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 4.450 3.115 0.462) 5.451 3.738 ( -4.126 -15.482 1.563) 16.098 4.074 ( -3.485 -9.570 0.482) 10.196 4.591 ( -0.244 3.849 0.320) 3.870 4.805 ( -2.867 -12.110 -0.613) 12.459 5.983 ( 4.007 3.798 -1.232) 5.657 8.165 ( 9.208 4.923 1.417) 10.537 8.562 ( -8.818 -22.463 -1.327) 24.168 9.103 ( -2.715 3.332 3.377) 5.466 9.438 ( -6.141 3.453 -2.241) 7.393 10.163 ( -1.955 -2.240 -0.236) 2.982 13.623 ( 4.932 10.123 1.030) 11.307 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 2.733 4.734 -0.000) 5.466 3.497 ( -7.201 -12.473 -0.000) 14.402 3.840 ( -8.459 -14.652 -0.000) 16.918 4.570 ( -1.544 -2.674 -0.000) 3.087 4.757 ( 1.225 2.122 -0.000) 2.450 6.057 ( 1.096 1.898 -0.000) 2.192 8.134 ( -12.692 -21.983 -0.000) 25.383 8.405 ( 6.918 11.982 -0.000) 13.836 9.120 ( 0.804 1.393 -0.000) 1.609 9.402 ( 0.556 0.964 -0.000) 1.113 10.053 ( -4.191 -7.258 -0.000) 8.381 13.816 ( 5.214 9.031 0.000) 10.428 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 0.000 0.182 6.101) 6.103 3.012 ( 0.000 -0.219 0.838) 0.866 3.550 ( -0.000 0.369 -0.508) 0.628 4.259 ( 0.000 1.123 2.357) 2.611 5.047 ( -0.000 -0.292 -1.492) 1.520 6.262 ( -0.000 0.345 -0.972) 1.031 7.566 ( 0.000 0.325 0.463) 0.565 8.305 ( 0.000 2.231 2.903) 3.661 9.304 ( -0.000 2.623 -1.001) 2.808 9.528 ( 0.000 -3.752 -0.939) 3.868 9.876 ( -0.000 -0.257 -0.496) 0.559 14.230 ( -0.000 0.986 -1.435) 1.741 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 2.286 0.361 6.820) 7.201 3.079 ( 8.176 -1.524 1.128) 8.393 3.667 ( 14.418 -2.293 -0.454) 14.606 4.282 ( -0.137 1.392 4.185) 4.413 5.006 ( -2.528 -2.238 -2.276) 4.072 6.246 ( -0.141 -3.032 -1.402) 3.343 7.747 ( 19.470 -0.105 0.173) 19.472 8.280 ( -5.106 -0.578 5.263) 7.356 9.273 ( -1.264 -4.381 1.377) 4.763 9.568 ( -2.019 14.950 -4.172) 15.652 9.861 ( 0.378 -3.032 -0.232) 3.064 14.165 ( -7.821 0.788 -0.817) 7.903 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 3.634 -0.379 5.012) 6.202 3.253 ( 13.546 -3.243 1.833) 14.049 3.954 ( 22.107 -6.279 -0.566) 22.988 4.311 ( 0.468 1.396 5.545) 5.737 4.907 ( -4.664 -2.974 -2.896) 6.243 6.175 ( -1.909 -6.829 -2.569) 7.542 8.085 ( 7.018 -3.735 -0.276) 7.955 8.244 ( 13.995 -2.785 3.424) 14.674 9.222 ( -1.890 -1.252 4.066) 4.656 9.699 ( -1.960 21.148 -4.639) 21.739 9.828 ( -0.537 -3.562 0.757) 3.681 13.990 ( -13.065 1.460 0.386) 13.152 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 4.904 -1.082 2.347) 5.543 3.465 ( 14.866 -6.253 2.549) 16.328 4.166 ( 7.774 -9.377 2.410) 12.416 4.433 ( 14.472 -2.692 2.165) 14.878 4.784 ( -5.609 -1.244 -2.359) 6.211 6.035 ( -3.663 -8.450 -3.536) 9.865 7.994 ( -4.066 -4.828 1.826) 6.571 8.562 ( 18.721 -8.580 -3.611) 20.908 9.225 ( 0.043 1.863 6.979) 7.224 9.755 ( -2.525 -5.856 5.139) 8.190 9.912 ( 0.654 25.302 -7.415) 26.374 13.781 ( -13.419 3.531 2.177) 14.046 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 6.382 -1.043 0.132) 6.468 3.618 ( 10.854 -11.547 2.762) 16.086 4.127 ( 0.001 -10.254 3.865) 10.959 4.623 ( 10.447 -8.175 -6.680) 14.852 4.706 ( -1.659 -0.017 5.053) 5.319 5.903 ( -0.569 -5.724 -3.510) 6.738 7.932 ( 1.786 -3.283 1.367) 3.980 8.624 ( 5.002 -15.450 -4.360) 16.815 9.286 ( -1.757 5.176 9.339) 10.821 9.647 ( -4.822 -3.950 1.685) 6.457 10.146 ( 1.156 19.436 -6.137) 20.415 13.652 ( -7.799 6.658 3.712) 10.905 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 7.564 -0.198 -1.437) 7.702 3.599 ( 2.440 -15.890 1.502) 16.146 4.009 ( -1.421 -14.626 3.623) 15.135 4.642 ( 3.071 -0.264 -6.283) 6.998 4.693 ( -1.364 -4.902 5.481) 7.479 5.901 ( 5.772 -3.071 -2.144) 6.881 8.017 ( 9.555 -0.013 1.802) 9.723 8.435 ( -3.410 -22.061 -1.607) 22.381 9.285 ( -8.661 6.413 9.439) 14.327 9.564 ( -2.823 2.041 -2.968) 4.576 10.236 ( -5.924 9.495 -5.165) 12.326 13.680 ( 0.170 8.851 3.854) 9.655 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.000 -0.060 8.249) 8.250 2.986 ( 0.000 -3.176 0.792) 3.273 3.507 ( 0.000 -4.261 -0.120) 4.263 4.315 ( 0.000 1.410 6.224) 6.382 4.987 ( -0.000 -4.054 -2.903) 4.986 6.193 ( 0.000 -6.887 -2.029) 7.180 7.578 ( 0.000 0.162 1.076) 1.088 8.321 ( 0.000 -4.720 5.985) 7.622 9.282 ( 0.000 2.122 4.417) 4.900 9.751 ( -0.000 21.491 -6.263) 22.385 9.809 ( 0.000 -5.542 -1.037) 5.638 14.236 ( -0.000 0.537 -0.649) 0.842 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 1.304 -1.747 6.489) 6.846 3.024 ( 8.513 -5.108 1.104) 9.989 3.574 ( 13.219 -6.728 -0.008) 14.832 4.345 ( -0.367 0.258 7.538) 7.551 4.915 ( -1.890 -4.532 -2.969) 5.738 6.091 ( -0.333 -11.493 -3.408) 11.992 7.732 ( 16.794 -1.906 0.170) 16.903 8.234 ( -4.249 -7.243 4.296) 9.432 9.323 ( -3.921 7.052 7.844) 11.253 9.762 ( 1.568 -5.417 1.245) 5.775 9.952 ( -1.061 25.565 -8.203) 26.870 14.179 ( -7.088 1.038 0.089) 7.164 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 3.168 -3.553 2.906) 5.577 3.161 ( 13.266 -7.621 1.701) 15.394 3.776 ( 18.601 -11.219 0.352) 21.725 4.355 ( 0.303 -2.381 6.034) 6.494 4.830 ( -2.645 -2.157 -1.101) 3.587 5.936 ( -0.490 -14.969 -4.688) 15.694 7.975 ( 7.232 -6.967 -1.076) 10.099 8.151 ( 9.569 -7.265 0.984) 12.055 9.325 ( -4.813 4.859 7.417) 10.089 9.764 ( -0.161 -1.102 7.011) 7.099 10.169 ( -1.573 28.519 -9.466) 30.091 14.036 ( -11.232 2.647 1.783) 11.676 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 5.819 -4.357 -0.245) 7.274 3.305 ( 12.945 -11.489 1.632) 17.385 3.909 ( 10.812 -17.096 2.684) 20.405 4.376 ( 6.087 -5.172 -0.469) 8.001 4.791 ( -2.358 2.330 3.633) 4.918 5.772 ( 1.775 -15.264 -5.153) 16.208 7.902 ( -1.827 -4.647 0.487) 5.017 8.297 ( 12.860 -15.138 -3.268) 20.130 9.352 ( 1.056 3.510 7.428) 8.283 9.742 ( -6.486 1.980 8.544) 10.908 10.387 ( -2.797 28.017 -10.144) 29.928 13.888 ( -10.694 5.054 4.168) 12.541 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 8.570 -3.968 -2.414) 9.748 3.357 ( 7.887 -15.641 0.645) 17.529 3.840 ( 2.671 -20.006 4.230) 20.622 4.442 ( 8.755 -6.448 -4.188) 11.652 4.803 ( -3.490 5.140 6.232) 8.800 5.696 ( 7.948 -12.733 -4.064) 15.550 7.890 ( 4.359 -2.020 1.093) 4.927 8.230 ( 2.133 -20.614 -1.437) 20.774 9.463 ( 3.689 3.933 6.457) 8.413 9.642 ( -10.744 3.896 6.282) 13.041 10.514 ( -8.893 22.737 -10.974) 26.767 13.822 ( -5.536 6.954 6.010) 10.730 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 0.000 -4.140 6.127) 7.395 2.883 ( 0.000 -8.030 0.172) 8.032 3.393 ( 0.000 -6.908 0.384) 6.918 4.365 ( 0.000 -3.013 8.125) 8.666 4.874 ( 0.000 -4.640 -1.596) 4.907 5.941 ( 0.000 -16.254 -4.847) 16.961 7.568 ( 0.000 -2.490 0.783) 2.610 8.201 ( 0.000 -8.781 2.053) 9.018 9.522 ( 0.000 14.303 14.337) 20.251 9.672 ( 0.000 -6.720 -0.768) 6.764 10.201 ( -0.000 28.527 -9.526) 30.076 14.250 ( -0.000 1.258 0.122) 1.264 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 0.872 -6.825 3.035) 7.520 2.874 ( 9.378 -10.979 0.354) 14.443 3.418 ( 10.605 -8.579 0.501) 13.650 4.328 ( -0.395 -8.222 5.397) 9.843 4.831 ( -0.255 -3.081 2.428) 3.931 5.744 ( 0.167 -19.413 -6.290) 20.407 7.652 ( 12.955 -6.634 -0.593) 14.567 8.096 ( -2.678 -6.768 0.475) 7.294 9.504 ( -8.226 0.980 4.424) 9.391 9.796 ( 3.692 9.260 12.804) 16.227 10.452 ( -1.053 30.543 -10.395) 32.281 14.215 ( -5.932 2.410 1.162) 6.508 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 3.960 -8.321 -0.427) 9.225 2.956 ( 13.381 -14.172 0.348) 19.494 3.536 ( 13.283 -12.794 1.072) 18.474 4.244 ( 1.651 -10.983 0.748) 11.132 4.830 ( 1.368 -1.959 7.597) 7.964 5.537 ( 1.400 -19.503 -7.375) 20.898 7.782 ( 10.891 -11.927 -2.572) 16.355 8.020 ( 1.217 -4.700 0.161) 4.858 9.415 ( -3.883 1.007 4.215) 5.819 9.937 ( -4.097 9.825 13.702) 17.351 10.694 ( -2.685 30.885 -10.878) 32.855 14.122 ( -9.061 4.313 3.519) 10.634 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 7.978 -8.279 -2.695) 11.809 3.022 ( 12.035 -17.654 -0.510) 21.373 3.572 ( 7.060 -17.581 2.901) 19.166 4.211 ( 7.441 -9.948 -2.809) 12.737 4.893 ( 2.893 0.529 10.983) 11.370 5.379 ( 5.641 -18.063 -8.061) 20.569 7.783 ( 5.269 -10.702 -1.913) 12.081 8.001 ( 2.348 -8.774 0.531) 9.098 9.431 ( 2.048 2.083 3.097) 4.257 9.947 ( -10.297 9.429 12.836) 18.966 10.870 ( -7.324 28.029 -12.835) 31.686 14.034 ( -8.603 5.876 6.536) 12.298 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.000 -10.457 1.901) 10.628 2.655 ( 0.000 -14.929 -0.785) 14.950 3.256 ( 0.000 -6.941 0.691) 6.976 4.233 ( 0.000 -14.074 2.420) 14.280 4.792 ( 0.000 -8.600 6.778) 10.950 5.527 ( 0.000 -18.122 -7.434) 19.588 7.467 ( 0.000 -8.119 -0.222) 8.122 8.061 ( 0.000 -4.313 -1.063) 4.442 9.573 ( 0.000 -2.240 0.195) 2.248 9.954 ( 0.000 15.986 18.791) 24.671 10.737 ( -0.000 31.960 -10.215) 33.553 14.294 ( -0.000 2.836 1.175) 3.070 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 1.666 -12.870 -0.885) 13.008 2.582 ( 10.215 -18.272 -0.875) 20.952 3.256 ( 7.245 -7.960 0.694) 10.786 4.083 ( 1.055 -17.153 -0.528) 17.194 4.706 ( 4.067 -19.943 8.554) 22.078 5.356 ( -0.986 -9.597 -6.418) 11.588 7.454 ( 9.012 -12.333 -1.322) 15.332 8.021 ( -1.472 0.196 -1.083) 1.838 9.519 ( -4.897 1.485 1.755) 5.410 10.150 ( -1.816 12.292 16.125) 20.357 11.012 ( -1.707 32.340 -9.183) 33.661 14.292 ( -4.505 4.004 2.617) 6.571 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 6.322 -13.253 -2.966) 14.980 2.598 ( 13.868 -21.165 -1.422) 25.344 3.305 ( 7.612 -11.134 1.466) 13.567 3.960 ( 5.736 -16.623 -2.395) 17.747 4.635 ( 13.165 -26.974 7.341) 30.900 5.255 ( -3.056 -1.136 -3.742) 4.963 7.477 ( 10.028 -16.202 -2.071) 19.167 8.007 ( -2.558 3.412 0.006) 4.264 9.480 ( -2.991 3.913 2.412) 5.484 10.229 ( -6.440 8.912 13.090) 17.095 11.233 ( -5.881 30.267 -10.172) 32.468 14.250 ( -7.069 5.321 5.490) 10.413 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 0.000 -16.935 -2.196) 17.077 2.284 ( 0.000 -21.425 -1.543) 21.481 3.130 ( 0.000 -6.213 0.408) 6.227 3.870 ( 0.000 -22.201 -2.583) 22.351 4.405 ( 0.000 -34.544 6.200) 35.096 5.313 ( -0.000 -0.279 -2.293) 2.309 7.250 ( 0.000 -12.829 -0.860) 12.858 8.053 ( -0.000 4.827 -1.431) 5.035 9.597 ( -0.000 4.039 0.920) 4.143 10.331 ( 0.000 9.495 14.525) 17.353 11.327 ( -0.000 32.768 -6.229) 33.355 14.376 ( 0.000 3.981 2.657) 4.786 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 3.840 -18.446 -3.788) 19.218 2.150 ( 10.441 -23.956 -1.859) 26.198 3.113 ( 4.546 -6.901 0.441) 8.276 3.652 ( 4.882 -26.021 -3.791) 26.745 4.130 ( 8.195 -36.300 4.779) 37.519 5.309 ( -1.684 2.511 0.004) 3.023 7.173 ( 6.295 -14.347 -1.135) 15.708 8.108 ( -1.666 9.226 -0.630) 9.396 9.607 ( -4.462 5.911 1.468) 7.551 10.420 ( -2.867 5.109 10.824) 12.308 11.599 ( -3.901 31.145 -5.122) 31.803 14.402 ( -2.962 4.493 4.277) 6.875 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.000 -22.190 -4.912) 22.727 1.796 ( 0.000 -26.302 -1.971) 26.376 3.015 ( 0.000 -5.369 -0.159) 5.372 3.255 ( 0.000 -39.921 -4.676) 40.194 3.737 ( 0.000 -30.876 4.443) 31.194 5.348 ( -0.000 2.355 0.744) 2.470 6.980 ( 0.000 -13.040 -0.631) 13.055 8.238 ( -0.000 14.025 0.188) 14.027 9.724 ( -0.000 7.428 0.915) 7.485 10.499 ( 0.000 0.056 7.158) 7.158 11.932 ( -0.000 30.164 -1.423) 30.197 14.478 ( 0.000 3.575 4.332) 5.616 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 0.000 -0.000 23.149) 23.149 0.480 ( 0.000 -0.000 23.149) 23.149 0.936 ( 0.000 -0.000 45.667) 45.667 2.807 ( -0.000 0.000 -2.544) 2.544 2.807 ( -0.000 0.000 -2.544) 2.544 6.325 ( -0.000 0.000 -9.438) 9.438 6.567 ( 0.000 -0.000 1.400) 1.400 6.567 ( 0.000 -0.000 1.400) 1.400 10.030 ( -0.000 0.000 -0.863) 0.863 10.030 ( -0.000 0.000 -0.863) 0.863 13.028 ( 0.000 -0.000 2.407) 2.407 13.493 ( -0.000 0.000 -1.138) 1.138 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 19.754 11.405 14.830) 27.207 0.952 ( 16.184 9.344 23.466) 29.998 1.463 ( 35.260 20.358 24.555) 47.547 2.807 ( 1.323 0.764 -3.346) 3.679 2.934 ( 10.674 6.163 -2.431) 12.563 5.499 ( -11.910 -6.876 4.003) 14.323 6.626 ( 4.400 2.540 1.659) 5.345 8.401 ( 48.092 27.766 -40.603) 68.792 9.819 ( -8.124 -4.690 -9.851) 13.603 9.987 ( -3.514 -2.029 -0.864) 4.149 12.935 ( -9.001 -5.196 4.887) 11.485 13.964 ( 23.191 13.389 -24.836) 36.522 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 13.876 8.011 20.020) 25.642 1.363 ( 22.925 13.236 9.377) 28.083 2.451 ( 42.232 24.383 11.553) 50.115 2.843 ( 2.910 1.680 -4.006) 5.229 3.258 ( 17.996 10.390 -2.169) 20.893 5.348 ( -4.041 -2.333 -3.381) 5.762 6.775 ( 8.042 4.643 1.591) 9.421 8.617 ( -11.433 -6.601 -0.975) 13.237 9.853 ( 13.170 7.604 -29.159) 32.887 9.874 ( -5.849 -3.377 -0.792) 6.800 12.687 ( -14.175 -8.184 10.430) 19.408 14.175 ( 3.931 2.270 -21.945) 22.410 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 15.079 8.706 12.022) 21.159 1.909 ( 22.034 12.722 6.908) 26.364 2.910 ( 4.061 2.345 -4.542) 6.529 3.368 ( 32.092 18.528 8.859) 38.101 3.751 ( 27.114 15.654 -3.989) 31.561 5.250 ( -3.403 -1.965 -4.978) 6.342 6.994 ( 10.310 5.952 1.163) 11.962 8.268 ( -15.462 -8.927 1.678) 17.933 9.732 ( -5.830 -3.366 -0.582) 6.757 9.998 ( 5.085 2.936 -23.524) 24.246 12.371 ( -17.537 -10.125 16.441) 26.084 14.078 ( -4.684 -2.704 -19.872) 20.594 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 15.346 8.860 5.437) 18.536 2.403 ( 18.938 10.934 5.755) 22.612 2.996 ( 4.808 2.776 -5.018) 7.484 3.945 ( 18.609 10.744 6.734) 22.518 4.425 ( 28.461 16.432 -8.732) 34.004 5.179 ( -0.484 -0.280 -0.322) 0.646 7.235 ( 9.992 5.769 0.457) 11.547 7.996 ( -7.767 -4.485 -0.266) 8.973 9.625 ( -2.978 -1.719 -0.179) 3.443 9.912 ( -5.964 -3.443 -18.539) 19.777 11.965 ( -23.734 -13.703 17.565) 32.552 13.905 ( -3.700 -2.136 -16.259) 16.811 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 14.038 8.105 0.292) 16.212 2.798 ( 13.463 7.773 5.066) 16.350 3.099 ( 5.951 3.436 -5.202) 8.618 4.324 ( 12.897 7.446 4.928) 15.686 4.750 ( 3.348 1.933 -15.255) 15.737 5.377 ( 16.307 9.415 7.688) 20.339 7.433 ( 6.980 4.030 -0.335) 8.066 7.931 ( 2.504 1.446 -1.883) 3.451 9.608 ( 1.512 0.873 0.370) 1.784 9.646 ( -11.327 -6.540 -14.136) 19.259 11.379 ( -31.449 -18.157 11.799) 38.183 13.839 ( 1.570 0.906 -8.735) 8.921 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 11.038 6.373 -4.339) 13.464 3.027 ( 5.613 3.240 1.837) 6.736 3.250 ( 8.086 4.668 -2.384) 9.637 4.529 ( 2.681 1.548 -2.999) 4.310 4.729 ( 2.217 1.280 -3.238) 4.128 5.768 ( 13.950 8.054 4.699) 16.780 7.549 ( 3.479 2.009 -0.914) 4.120 8.087 ( 11.385 6.573 -3.390) 13.577 9.351 ( -10.034 -5.793 -8.750) 14.519 9.684 ( 4.344 2.508 0.845) 5.086 10.645 ( -33.985 -19.621 5.682) 39.651 13.894 ( 4.146 2.394 -2.254) 5.291 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 6.030 3.482 -8.855) 11.265 3.106 ( 1.830 1.057 -1.054) 2.362 3.409 ( 5.330 3.078 0.387) 6.167 4.494 ( -1.097 -0.633 -5.495) 5.639 4.820 ( 3.083 1.780 3.158) 4.759 6.023 ( 7.156 4.132 3.286) 8.893 7.598 ( 1.442 0.833 -1.090) 1.990 8.395 ( 15.767 9.103 -5.660) 19.066 9.167 ( -3.723 -2.149 -2.707) 5.080 9.782 ( 3.324 1.919 1.054) 3.981 9.921 ( -29.187 -16.851 2.941) 33.830 13.985 ( 3.465 2.001 1.365) 4.228 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -0.426 -0.246 -11.816) 11.826 3.115 ( -0.578 -0.334 -2.034) 2.140 3.483 ( 0.813 0.469 1.432) 1.712 4.506 ( 3.640 2.101 -2.970) 5.146 4.849 ( -1.584 -0.914 3.154) 3.646 6.116 ( -0.118 -0.068 3.302) 3.305 7.617 ( 0.541 0.313 -0.885) 1.084 8.674 ( 5.877 3.393 -7.231) 9.917 9.175 ( 3.767 2.175 2.372) 4.954 9.444 ( -7.575 -4.373 1.364) 8.852 9.821 ( -0.432 -0.250 0.952) 1.075 14.051 ( 1.614 0.932 3.456) 3.926 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -5.947 -3.434 -11.561) 13.447 3.062 ( -3.605 -2.081 -2.399) 4.804 3.459 ( -3.154 -1.821 1.984) 4.147 4.626 ( 6.681 3.857 -5.245) 9.328 4.774 ( -5.334 -3.080 5.343) 8.154 6.034 ( -8.244 -4.760 4.070) 10.353 7.616 ( -0.539 -0.311 -0.401) 0.740 8.510 ( -13.733 -7.929 -1.176) 15.901 9.367 ( 12.623 7.288 5.450) 15.561 9.662 ( 20.633 11.913 -7.425) 24.956 9.769 ( -4.104 -2.369 0.548) 4.771 14.090 ( 0.767 0.443 5.294) 5.367 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -9.979 -5.761 -8.912) 14.567 2.922 ( -8.216 -4.743 -2.274) 9.755 3.365 ( -5.287 -3.053 2.136) 6.468 4.545 ( -10.320 -5.958 -1.627) 12.027 4.848 ( 8.038 4.641 -0.606) 9.301 5.762 ( -16.896 -9.755 5.423) 20.250 7.577 ( -3.166 -1.828 0.208) 3.661 8.207 ( -11.436 -6.602 1.551) 13.296 9.660 ( -4.778 -2.759 -0.073) 5.518 9.744 ( 17.300 9.988 7.217) 21.240 10.167 ( 25.374 14.650 -13.473) 32.249 14.139 ( 2.092 1.208 6.873) 7.285 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -13.506 -7.798 -5.126) 16.416 2.661 ( -14.015 -8.092 -1.440) 16.247 3.246 ( -5.540 -3.198 1.705) 6.620 4.247 ( -15.270 -8.816 0.295) 17.634 4.962 ( -2.149 -1.241 -9.286) 9.612 5.345 ( -16.899 -9.757 10.465) 22.142 7.458 ( -7.557 -4.363 0.659) 8.751 8.029 ( -4.220 -2.436 2.097) 5.305 9.582 ( -1.333 -0.769 -0.652) 1.671 10.148 ( 15.141 8.741 3.671) 17.864 10.719 ( 26.756 15.448 -12.005) 33.145 14.238 ( 4.559 2.632 6.636) 8.471 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -16.804 -9.702 -0.680) 19.416 2.277 ( -19.160 -11.062 -0.048) 22.125 3.127 ( -5.213 -3.010 0.971) 6.097 3.846 ( -20.472 -11.820 1.930) 23.718 4.464 ( -31.427 -18.145 -5.216) 36.662 5.285 ( 2.749 1.587 3.174) 4.489 7.242 ( -11.127 -6.424 0.735) 12.869 8.039 ( 4.604 2.658 1.294) 5.472 9.607 ( 3.581 2.067 -0.913) 4.234 10.420 ( 8.152 4.707 -2.664) 9.783 11.316 ( 27.612 15.942 -4.683) 32.225 14.375 ( 5.429 3.135 2.947) 6.928 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.000 21.184 15.340) 26.154 1.036 ( 0.000 21.684 22.041) 30.919 1.543 ( 0.000 35.395 27.366) 44.740 2.823 ( -0.000 2.807 -2.903) 4.038 2.893 ( -0.000 10.741 -3.610) 11.331 5.507 ( 0.000 -15.610 3.059) 15.907 6.622 ( -0.000 4.786 1.561) 5.034 8.225 ( -0.000 54.495 -35.967) 65.294 9.891 ( -0.000 -1.871 -9.975) 10.149 9.978 ( 0.000 -4.415 -1.121) 4.555 12.938 ( 0.000 -11.838 5.083) 12.883 13.867 ( -0.000 24.221 -20.864) 31.968 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 12.853 22.257 11.184) 28.029 1.357 ( 6.401 13.621 23.066) 27.542 2.230 ( 23.440 40.275 14.287) 48.741 2.840 ( 0.074 4.574 -3.707) 5.888 3.113 ( 11.080 13.637 -3.050) 17.834 5.367 ( -3.130 -5.192 -2.719) 6.644 6.732 ( 4.783 7.325 1.741) 8.919 8.573 ( 6.464 -0.267 -8.854) 10.965 9.755 ( -5.994 5.083 -17.528) 19.209 9.950 ( -0.893 3.113 -7.905) 8.543 12.766 ( -5.715 -16.081 8.805) 19.204 14.065 ( 5.849 10.235 -21.893) 24.865 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 8.914 11.626 16.596) 22.137 1.782 ( 16.237 21.438 8.310) 28.147 2.893 ( 1.550 6.139 -4.474) 7.753 3.107 ( 28.593 32.447 9.230) 44.222 3.501 ( 18.656 15.880 -3.729) 24.782 5.268 ( -2.938 -2.185 -5.164) 6.331 6.933 ( 7.403 10.340 1.759) 12.838 8.404 ( -10.832 -13.602 2.181) 17.524 9.678 ( 0.474 -6.086 -8.539) 10.497 9.968 ( -0.713 9.771 -18.107) 20.588 12.505 ( -8.969 -18.377 14.129) 24.856 14.073 ( -2.912 1.857 -20.541) 20.829 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 11.166 10.407 9.204) 17.824 2.287 ( 15.360 19.824 6.654) 25.946 2.977 ( 2.057 7.746 -5.034) 9.464 3.779 ( 18.034 15.812 7.719) 25.196 4.092 ( 28.090 21.813 -7.339) 36.314 5.195 ( -1.889 0.056 -2.901) 3.463 7.188 ( 7.568 13.010 1.509) 15.126 8.094 ( -10.575 -8.780 0.919) 13.776 9.591 ( 0.524 -7.556 -3.608) 8.390 9.926 ( -4.663 1.188 -17.349) 18.004 12.176 ( -13.755 -20.880 17.046) 30.261 13.921 ( -6.259 -0.088 -18.126) 19.177 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 12.132 8.368 3.004) 15.041 2.728 ( 11.682 16.981 5.657) 21.374 3.084 ( 2.303 10.052 -5.492) 11.684 4.193 ( 13.922 9.551 5.840) 17.865 4.605 ( 12.899 8.556 -14.735) 21.371 5.274 ( 8.883 8.809 6.054) 13.898 7.437 ( 4.414 14.491 0.955) 15.178 7.917 ( -2.622 -3.022 -0.821) 4.084 9.544 ( 2.597 -5.092 -3.616) 6.764 9.727 ( -9.318 -4.331 -12.439) 16.134 11.695 ( -23.140 -23.140 13.084) 35.243 13.799 ( -1.181 0.256 -11.456) 11.520 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 11.278 5.334 -2.335) 12.693 3.029 ( 4.519 11.445 2.609) 12.579 3.240 ( 3.853 14.621 -3.355) 15.488 4.468 ( 7.046 3.998 0.572) 8.121 4.683 ( 2.252 1.152 -8.405) 8.777 5.636 ( 14.189 11.121 6.105) 19.034 7.616 ( -0.826 14.804 0.161) 14.827 7.948 ( 7.549 1.326 -2.180) 7.969 9.415 ( -8.188 -7.522 -11.055) 15.680 9.625 ( 3.676 0.257 0.656) 3.742 11.029 ( -30.757 -21.982 6.216) 38.312 13.809 ( 4.732 -0.568 -3.941) 6.184 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 8.374 1.398 -7.131) 11.087 3.159 ( -0.463 9.707 -1.703) 9.866 3.444 ( 1.818 14.993 0.330) 15.107 4.490 ( -1.234 -0.356 -7.143) 7.257 4.775 ( 5.072 1.826 3.305) 6.323 5.945 ( 9.238 6.478 4.199) 12.039 7.710 ( -4.859 14.762 -0.456) 15.548 8.164 ( 15.067 3.259 -3.915) 15.905 9.198 ( -5.248 -4.758 -5.163) 8.765 9.713 ( 4.215 -0.939 1.565) 4.593 10.310 ( -30.538 -15.020 1.652) 34.072 13.894 ( 6.770 -2.370 0.613) 7.199 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 3.806 -2.606 -10.437) 11.411 3.210 ( -3.714 9.555 -3.608) 10.868 3.577 ( -2.915 12.842 1.679) 13.275 4.467 ( 1.291 1.305 -4.930) 5.260 4.850 ( 1.422 -1.205 3.966) 4.382 6.107 ( 3.320 1.767 3.597) 5.205 7.751 ( -7.047 14.836 -0.614) 16.436 8.451 ( 15.989 0.261 -6.407) 17.227 9.137 ( 2.237 -0.144 0.528) 2.304 9.584 ( -13.853 -12.873 2.717) 19.105 9.906 ( -7.056 5.011 -0.627) 8.677 13.980 ( 5.984 -4.023 2.885) 7.766 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -1.016 -5.422 -11.208) 12.492 3.193 ( -7.140 8.189 -3.963) 11.565 3.608 ( -7.779 10.593 2.139) 13.316 4.534 ( 5.499 2.831 -5.150) 8.048 4.826 ( -2.665 -3.862 4.759) 6.683 6.114 ( -3.676 -2.708 3.983) 6.059 7.760 ( -8.280 13.845 -0.369) 16.136 8.540 ( -0.513 -10.503 -4.540) 11.454 9.250 ( 7.702 3.343 3.582) 9.128 9.444 ( 8.603 2.585 -0.917) 9.029 9.875 ( -4.413 4.816 -1.078) 6.621 14.039 ( 4.696 -4.628 4.327) 7.886 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -5.287 -6.769 -9.397) 12.730 3.097 ( -10.902 5.859 -3.335) 12.818 3.540 ( -11.360 7.951 2.152) 14.032 4.594 ( -1.427 -2.924 -6.931) 7.657 4.782 ( 2.519 0.367 4.920) 5.539 5.947 ( -12.011 -6.935 4.944) 14.724 7.733 ( -9.562 11.013 0.170) 14.586 8.306 ( -9.106 -10.925 -0.022) 14.222 9.503 ( 13.886 1.470 -0.431) 13.970 9.693 ( 8.357 2.322 5.343) 10.187 9.931 ( 10.378 13.020 -9.262) 19.052 14.091 ( 4.713 -3.640 5.381) 8.026 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -9.346 -7.073 -5.869) 13.108 2.901 ( -16.161 2.755 -2.139) 16.533 3.406 ( -11.909 5.110 1.665) 13.065 4.396 ( -11.256 -7.685 -1.327) 13.693 4.907 ( 5.710 2.950 -4.515) 7.854 5.601 ( -19.706 -10.403 7.235) 23.428 7.637 ( -12.096 6.198 0.787) 13.614 8.085 ( -6.074 -6.047 1.554) 8.710 9.557 ( 0.613 -5.463 -1.822) 5.792 9.975 ( 14.828 8.413 1.848) 17.148 10.376 ( 25.196 13.432 -8.088) 29.676 14.175 ( 6.102 -1.566 5.084) 8.095 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -13.694 -6.727 -1.439) 15.324 2.580 ( -21.845 -0.586 -0.345) 21.856 3.257 ( -10.250 2.586 0.661) 10.592 4.075 ( -16.659 -8.391 0.951) 18.677 4.795 ( -21.675 -7.161 -8.932) 24.513 5.285 ( -3.839 -3.958 7.762) 9.521 7.442 ( -14.992 1.102 1.147) 15.076 8.008 ( 0.765 -0.754 1.426) 1.786 9.536 ( 3.278 -2.791 -1.533) 4.570 10.270 ( 12.271 4.126 -6.542) 14.505 10.963 ( 28.704 13.402 -0.482) 31.683 14.296 ( 6.967 -0.074 1.966) 7.240 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.000 23.865 9.877) 25.828 1.527 ( 0.000 14.179 22.599) 26.679 2.531 ( -0.000 47.465 11.894) 48.933 2.876 ( -0.000 4.601 -3.405) 5.724 3.163 ( -0.000 18.198 -3.852) 18.602 5.332 ( -0.000 -4.343 -3.918) 5.849 6.777 ( -0.000 9.638 1.628) 9.775 8.479 ( -0.000 -4.777 -3.360) 5.840 9.850 ( 0.000 -7.286 -1.186) 7.382 9.921 ( -0.000 13.167 -25.698) 28.875 12.651 ( 0.000 -21.699 10.289) 24.015 14.060 ( -0.000 11.149 -20.492) 23.329 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 3.310 12.606 17.988) 22.214 1.795 ( 11.127 22.824 8.372) 26.736 2.924 ( 1.156 6.535 -4.073) 7.787 3.150 ( 13.215 42.647 8.418) 45.435 3.418 ( 9.071 19.073 -4.329) 21.559 5.271 ( -1.590 -1.663 -5.087) 5.583 6.939 ( 5.534 12.127 1.823) 13.454 8.376 ( -2.347 -13.558 2.317) 13.953 9.671 ( -7.560 -4.407 -6.970) 11.188 9.987 ( 1.728 6.446 -19.728) 20.826 12.431 ( -2.906 -24.813 13.591) 28.440 14.080 ( -1.341 5.876 -19.481) 20.392 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 5.864 10.682 11.869) 17.011 2.271 ( 14.323 21.740 7.048) 26.971 3.018 ( 2.171 9.462 -4.850) 10.852 3.718 ( 11.665 18.284 6.502) 22.642 3.893 ( 20.383 30.260 -6.505) 37.060 5.223 ( -1.638 1.541 -3.410) 4.084 7.207 ( 8.337 15.659 2.338) 17.893 8.162 ( -7.642 -11.234 1.839) 13.710 9.506 ( -2.620 -6.147 -6.250) 9.149 9.950 ( -2.821 -0.244 -16.218) 16.463 12.152 ( -5.701 -27.191 16.074) 32.097 13.987 ( -6.522 2.520 -17.885) 19.203 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 8.007 8.388 5.798) 12.965 2.733 ( 12.320 19.309 6.216) 23.733 3.153 ( 2.296 13.813 -5.475) 15.035 4.085 ( 12.505 11.064 4.413) 17.270 4.432 ( 14.631 16.415 -10.967) 24.572 5.274 ( 3.724 9.198 3.157) 10.414 7.526 ( 6.823 19.026 2.826) 20.409 7.955 ( -6.169 -4.975 -0.095) 7.925 9.420 ( 2.020 -6.371 -6.042) 9.010 9.786 ( -7.030 -4.944 -12.055) 14.804 11.781 ( -11.791 -28.839 14.315) 34.287 13.829 ( -6.393 1.097 -13.620) 15.086 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 8.719 5.405 0.402) 10.267 3.082 ( 6.320 14.212 3.271) 15.894 3.350 ( 3.194 20.134 -3.491) 20.682 4.376 ( 9.455 5.460 0.980) 10.962 4.625 ( 3.609 4.289 -9.152) 10.732 5.557 ( 11.152 13.577 6.148) 18.614 7.804 ( 2.873 16.411 2.624) 16.866 7.881 ( -1.021 4.623 -1.265) 4.901 9.374 ( 0.416 -6.992 -10.033) 12.236 9.601 ( -2.986 -2.945 -3.309) 5.342 11.260 ( -20.669 -27.012 8.190) 34.985 13.733 ( -0.263 -1.317 -6.906) 7.036 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 7.496 2.105 -4.473) 8.979 3.271 ( 0.745 12.952 -1.267) 13.035 3.607 ( 1.739 21.395 0.629) 21.475 4.474 ( 0.812 0.819 -7.982) 8.064 4.721 ( 4.814 3.194 2.917) 6.472 5.871 ( 9.391 8.282 4.851) 13.428 7.948 ( 8.126 1.362 -2.539) 8.622 8.015 ( -4.369 22.902 2.200) 23.419 9.210 ( -4.832 -6.472 -7.923) 11.314 9.631 ( 5.015 -0.330 0.862) 5.100 10.633 ( -25.297 -19.915 2.028) 32.259 13.740 ( 5.622 -4.799 -1.420) 7.527 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 4.454 -0.907 -8.190) 9.366 3.374 ( -2.952 13.475 -3.563) 14.248 3.808 ( -2.855 19.435 2.775) 19.838 4.454 ( -0.248 1.758 -7.093) 7.312 4.818 ( 2.508 -0.074 4.380) 5.048 6.065 ( 5.376 2.363 4.060) 7.139 8.079 ( -3.449 15.318 -1.455) 15.769 8.192 ( 7.316 8.252 -1.095) 11.082 9.099 ( 0.275 -2.758 -2.051) 3.448 9.641 ( -4.268 -7.742 2.821) 9.279 10.121 ( -15.688 -3.684 -2.702) 16.340 13.801 ( 8.153 -7.603 1.559) 11.257 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 0.535 -3.005 -9.565) 10.041 3.407 ( -6.946 12.741 -4.579) 15.217 3.910 ( -8.090 17.754 3.595) 19.839 4.471 ( 2.339 2.486 -6.058) 6.954 4.829 ( -0.751 -3.344 4.221) 5.437 6.130 ( 0.528 -2.282 3.972) 4.612 8.121 ( -10.522 18.406 -0.588) 21.209 8.357 ( 6.782 -2.633 -2.993) 7.867 9.170 ( 7.364 2.635 3.029) 8.388 9.416 ( -6.127 -5.763 0.813) 8.451 9.990 ( -4.441 4.191 -3.510) 7.043 13.870 ( 8.304 -8.700 2.988) 12.393 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -3.200 -3.850 -8.281) 9.677 3.355 ( -10.853 10.586 -4.294) 15.757 3.898 ( -14.092 15.710 3.073) 21.327 4.524 ( 3.381 -0.130 -7.374) 8.113 4.780 ( -1.141 -3.478 5.053) 6.239 6.059 ( -6.103 -5.651 4.332) 9.378 8.080 ( -12.261 12.871 -0.190) 17.777 8.311 ( -4.961 -5.912 -0.284) 7.723 9.332 ( 7.172 3.311 -1.452) 8.032 9.518 ( 15.082 4.738 4.509) 16.440 9.949 ( -2.284 3.766 -5.918) 7.378 13.938 ( 8.119 -7.787 3.539) 11.793 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -6.657 -3.574 -5.132) 9.134 3.213 ( -14.863 7.421 -3.160) 16.911 3.761 ( -18.102 11.488 1.917) 21.525 4.460 ( -5.030 -5.949 -3.876) 8.701 4.820 ( 5.441 1.464 -0.238) 5.639 5.831 ( -14.511 -7.983 5.227) 17.367 7.954 ( -12.524 5.011 0.771) 13.511 8.148 ( -9.053 -0.793 1.379) 9.192 9.452 ( 4.824 -1.703 -5.206) 7.299 9.839 ( 10.451 4.262 5.486) 12.549 10.086 ( 18.245 9.557 -6.679) 21.652 14.026 ( 8.670 -5.524 2.807) 10.656 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -10.400 -2.550 -1.161) 10.771 2.964 ( -20.083 4.029 -1.202) 20.518 3.540 ( -17.386 5.943 0.291) 18.376 4.248 ( -11.464 -5.778 -0.093) 12.838 4.911 ( 1.092 2.064 -8.224) 8.549 5.459 ( -19.194 -8.798 8.164) 22.638 7.759 ( -16.016 3.205 1.958) 16.451 8.017 ( -4.438 -1.202 0.728) 4.655 9.452 ( 1.661 -2.625 -3.329) 4.554 10.055 ( 12.724 1.557 -8.565) 15.417 10.610 ( 27.352 11.429 4.852) 30.038 14.141 ( 9.171 -3.632 -0.143) 9.865 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 10.991 16.269) 19.634 1.941 ( -0.000 22.416 6.834) 23.435 2.956 ( -0.000 5.873 -3.984) 7.096 3.499 ( -0.000 36.575 9.649) 37.827 3.538 ( -0.000 27.626 -8.143) 28.801 5.261 ( -0.000 0.499 -4.703) 4.729 7.014 ( -0.000 12.773 1.345) 12.843 8.276 ( 0.000 -12.138 3.419) 12.611 9.693 ( 0.000 -7.253 -0.913) 7.310 9.926 ( -0.000 3.064 -25.060) 25.247 12.233 ( 0.000 -28.660 14.938) 32.319 14.096 ( -0.000 6.349 -17.818) 18.916 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 2.155 9.025 11.779) 14.994 2.276 ( 10.723 20.393 6.065) 23.826 3.037 ( 3.516 7.736 -4.436) 9.586 3.757 ( 5.030 17.349 -0.468) 18.069 3.990 ( 7.216 36.245 -1.312) 36.979 5.263 ( -0.759 4.791 -2.670) 5.537 7.218 ( 7.784 14.182 1.538) 16.251 8.152 ( -3.140 -9.736 2.560) 10.545 9.533 ( -7.747 -4.897 -4.586) 10.248 9.881 ( 1.947 -3.933 -18.221) 18.741 11.973 ( -1.766 -31.271 15.977) 35.160 14.061 ( -4.267 4.526 -16.113) 17.272 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 4.351 6.803 6.840) 10.583 2.706 ( 13.895 17.087 5.639) 22.734 3.204 ( 5.959 12.739 -4.972) 14.917 4.019 ( 8.409 11.631 0.067) 14.352 4.405 ( 7.338 21.519 -5.914) 23.492 5.344 ( 1.548 12.403 1.842) 12.634 7.558 ( 11.917 16.966 2.660) 20.902 8.006 ( -5.045 -4.895 0.268) 7.034 9.359 ( -4.350 -4.502 -6.094) 8.737 9.772 ( -2.413 -6.597 -12.553) 14.384 11.654 ( -4.524 -33.053 14.831) 36.509 13.935 ( -8.302 2.681 -13.489) 16.064 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 5.945 4.392 2.348) 7.755 3.085 ( 10.585 12.562 3.612) 16.819 3.463 ( 6.725 19.908 -3.589) 21.317 4.260 ( 9.543 5.154 -1.464) 10.944 4.612 ( 2.510 9.388 -5.413) 11.124 5.574 ( 6.029 16.060 4.509) 17.737 7.839 ( -0.403 2.743 1.154) 3.003 8.012 ( 6.564 17.598 1.583) 18.849 9.257 ( 0.409 -5.391 -7.875) 9.553 9.614 ( -4.177 -4.554 -7.116) 9.424 11.252 ( -9.632 -32.268 10.695) 35.333 13.768 ( -7.465 0.249 -9.194) 11.846 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 6.045 2.048 -1.688) 6.602 3.347 ( 5.583 12.067 -0.052) 13.296 3.771 ( 4.791 21.211 0.404) 21.749 4.413 ( 5.302 2.142 -7.296) 9.270 4.710 ( 2.318 5.706 2.067) 6.496 5.836 ( 6.408 10.160 4.169) 12.715 7.849 ( 2.536 1.167 -1.055) 2.984 8.324 ( 0.760 24.259 4.015) 24.601 9.172 ( -1.271 -6.034 -8.867) 10.800 9.555 ( 2.562 -0.160 -1.970) 3.236 10.765 ( -15.197 -26.590 4.862) 31.010 13.646 ( -1.848 -3.697 -4.291) 5.958 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 4.465 0.147 -5.005) 6.708 3.526 ( 0.924 13.908 -2.662) 14.191 4.021 ( 1.316 16.614 4.198) 17.186 4.456 ( 0.511 3.859 -8.938) 9.749 4.815 ( 1.839 4.352 4.309) 6.395 6.005 ( 4.872 1.863 3.821) 6.465 7.950 ( 7.789 1.173 -1.960) 8.117 8.533 ( -6.072 25.107 4.106) 26.155 9.062 ( -1.466 -4.025 -4.826) 6.453 9.615 ( 1.962 -1.837 0.598) 2.753 10.295 ( -14.128 -13.844 -1.208) 19.817 13.604 ( 4.442 -7.855 -0.616) 9.045 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 1.676 -0.958 -6.708) 6.980 3.632 ( -4.146 14.779 -4.311) 15.943 4.175 ( -1.489 11.830 5.791) 13.255 4.471 ( -0.372 4.271 -6.096) 7.453 4.860 ( -3.079 4.119 1.999) 5.518 6.075 ( 3.419 -4.461 3.911) 6.847 8.087 ( 7.995 -1.775 -3.009) 8.725 8.630 ( -11.432 21.510 2.619) 24.500 9.075 ( 6.621 1.462 1.473) 6.939 9.498 ( -9.061 -6.349 1.744) 11.200 10.076 ( -4.176 0.490 -5.487) 6.912 13.629 ( 8.466 -10.113 1.300) 13.253 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -1.470 -1.040 -6.123) 6.382 3.639 ( -9.611 13.370 -4.779) 17.145 4.250 ( -4.993 10.529 4.248) 12.403 4.479 ( -0.737 1.835 -2.995) 3.589 4.811 ( -5.633 1.865 0.336) 5.943 6.062 ( 0.198 -7.183 3.973) 8.211 8.123 ( 1.540 -6.352 -2.766) 7.097 8.602 ( -13.112 14.714 2.766) 19.902 9.319 ( 11.437 9.885 6.466) 16.442 9.341 ( -1.149 -1.372 -2.412) 3.003 10.004 ( -3.961 0.353 -6.421) 7.553 13.697 ( 10.163 -9.620 1.736) 14.101 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -4.469 -0.193 -3.633) 5.763 3.534 ( -14.048 9.502 -3.888) 17.400 4.195 ( -15.177 9.247 0.934) 17.796 4.453 ( -2.132 -1.308 -1.245) 2.793 4.764 ( 0.714 0.075 -0.194) 0.743 5.955 ( -6.370 -7.040 3.994) 10.300 8.024 ( -3.247 -6.833 -1.149) 7.652 8.488 ( -16.047 10.072 3.453) 19.258 9.364 ( 3.722 3.356 -6.626) 8.308 9.694 ( 14.763 5.516 9.466) 18.384 9.935 ( 2.534 1.595 -7.802) 8.357 13.797 ( 10.715 -7.266 0.699) 12.965 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -7.539 1.215 -0.336) 7.644 3.325 ( -17.408 4.922 -2.075) 18.209 3.931 ( -20.895 2.740 -1.586) 21.134 4.365 ( -6.913 -0.715 1.277) 7.066 4.831 ( 5.816 1.067 -4.129) 7.212 5.721 ( -15.299 -5.747 4.835) 17.043 7.905 ( -3.935 -3.577 -0.132) 5.320 8.267 ( -18.516 3.552 2.698) 19.046 9.418 ( 0.762 2.391 -5.738) 6.263 9.825 ( 8.615 -4.411 -7.167) 12.043 10.294 ( 23.840 10.251 7.671) 27.060 13.920 ( 10.614 -5.047 -2.085) 11.936 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 6.638 9.192) 11.338 2.390 ( -0.000 18.486 5.123) 19.183 3.055 ( -0.000 7.040 -4.406) 8.305 3.883 ( -0.000 16.388 -2.463) 16.572 4.267 ( -0.000 29.899 -1.800) 29.954 5.336 ( -0.000 10.532 -0.655) 10.552 7.272 ( -0.000 11.858 0.470) 11.868 8.107 ( 0.000 -6.209 1.989) 6.520 9.578 ( 0.000 -3.227 -0.191) 3.232 9.716 ( -0.000 -7.630 -20.652) 22.017 11.717 ( 0.000 -33.774 15.833) 37.301 14.099 ( -0.000 4.917 -13.929) 14.771 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 1.853 4.276 5.827) 7.461 2.666 ( 9.842 14.843 4.578) 18.388 3.177 ( 6.867 9.575 -4.442) 12.592 4.040 ( 2.611 11.542 -2.577) 12.111 4.524 ( 1.789 19.272 -3.505) 19.669 5.478 ( 0.583 16.966 1.687) 17.060 7.487 ( 11.607 11.339 0.589) 16.237 8.039 ( -3.194 -2.544 -0.116) 4.085 9.420 ( -8.486 -3.754 -7.046) 11.651 9.658 ( 3.251 -5.833 -9.689) 11.767 11.411 ( -1.570 -35.339 14.416) 38.199 14.052 ( -5.739 4.048 -11.713) 13.657 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 3.823 2.373 2.883) 5.344 3.002 ( 12.424 9.920 3.342) 16.246 3.459 ( 12.645 15.450 -3.593) 20.286 4.177 ( 4.617 5.227 -2.587) 7.439 4.681 ( 0.386 11.277 -2.704) 11.603 5.690 ( 2.123 18.114 2.552) 18.415 7.859 ( 11.113 9.808 1.904) 14.944 7.982 ( 3.544 3.949 -2.183) 5.737 9.235 ( -5.373 -4.123 -6.991) 9.733 9.606 ( -1.636 -1.659 -5.706) 6.164 11.059 ( -3.648 -35.186 11.562) 37.216 13.910 ( -10.071 2.417 -9.125) 13.803 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 4.887 1.045 0.424) 5.015 3.303 ( 11.241 8.405 1.215) 14.088 3.842 ( 10.920 18.710 -0.991) 21.687 4.294 ( 7.112 1.500 -4.473) 8.535 4.762 ( -0.324 6.738 0.740) 6.786 5.893 ( 1.782 12.709 2.320) 13.041 7.872 ( -2.832 2.870 -1.334) 4.247 8.395 ( 17.422 15.891 2.350) 23.698 9.111 ( -1.870 -3.772 -6.629) 7.853 9.553 ( -2.404 2.469 -3.539) 4.939 10.672 ( -6.206 -31.754 7.688) 33.255 13.716 ( -10.114 -0.299 -6.003) 11.766 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 4.436 0.270 -1.743) 4.774 3.565 ( 8.373 10.078 -0.819) 13.128 4.124 ( 3.388 10.953 3.966) 12.131 4.434 ( 5.794 6.959 -9.256) 12.949 4.841 ( 3.062 5.108 4.233) 7.307 5.997 ( -0.274 3.847 2.132) 4.406 7.889 ( 1.693 3.450 -1.125) 4.004 8.775 ( 5.934 16.055 4.683) 17.746 9.044 ( -1.306 -1.132 -5.854) 6.104 9.573 ( 1.961 3.742 -2.380) 4.849 10.296 ( -6.752 -22.730 3.160) 23.922 13.541 ( -5.462 -4.105 -2.837) 7.398 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 2.740 0.138 -3.237) 4.243 3.774 ( 3.243 12.595 -2.854) 13.315 4.245 ( 2.233 3.190 5.182) 6.482 4.500 ( -1.314 3.259 -5.043) 6.147 5.002 ( 1.731 13.542 1.008) 13.689 5.984 ( 0.088 -6.156 2.630) 6.695 7.974 ( 4.494 2.194 -1.159) 5.134 8.966 ( -6.662 11.379 1.510) 13.272 8.993 ( 4.292 0.712 0.547) 4.385 9.596 ( -4.376 1.200 0.934) 4.632 10.082 ( -0.495 -6.107 -3.224) 6.924 13.443 ( 1.597 -7.342 -0.473) 7.528 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 0.406 0.789 -3.342) 3.458 3.889 ( -4.272 13.759 -4.575) 15.115 4.310 ( 0.699 1.726 0.573) 1.948 4.472 ( 1.427 -5.057 4.014) 6.612 5.086 ( -11.341 17.661 -2.756) 21.169 5.935 ( 4.394 -11.804 3.459) 13.062 8.042 ( 2.259 -1.015 -1.501) 2.896 8.879 ( -7.788 3.925 0.660) 8.746 9.163 ( 9.306 0.806 2.688) 9.720 9.513 ( -7.502 7.526 3.110) 11.072 10.045 ( -2.138 0.863 -6.225) 6.638 13.449 ( 7.663 -7.749 0.370) 10.904 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -2.095 2.143 -1.891) 3.543 3.848 ( -12.508 9.872 -4.512) 16.561 4.294 ( -0.375 -3.126 -4.668) 5.631 4.511 ( 3.389 -2.082 9.595) 10.387 4.944 ( -17.959 9.810 -3.794) 20.812 5.923 ( 3.147 -7.749 3.138) 8.933 8.016 ( -2.097 -2.425 -1.204) 3.424 8.783 ( -9.181 2.658 2.895) 9.987 9.293 ( 6.296 -1.236 -4.317) 7.734 9.587 ( 5.442 5.585 6.395) 10.085 9.966 ( -5.219 3.603 -5.051) 8.107 13.544 ( 10.589 -5.388 -0.533) 11.893 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -4.704 3.826 0.400) 6.076 3.646 ( -16.210 3.016 -2.704) 16.709 4.175 ( -8.857 -5.157 -5.665) 11.710 4.540 ( -6.781 3.264 8.941) 11.687 4.762 ( -2.760 0.590 -5.064) 5.798 5.870 ( -5.267 -2.744 2.923) 6.619 7.944 ( -3.755 -0.011 -1.007) 3.888 8.587 ( -15.635 -2.538 3.145) 16.148 9.378 ( 6.066 2.239 -8.780) 10.904 9.657 ( 2.102 -8.214 -0.388) 8.487 10.086 ( 12.596 10.171 5.599) 17.130 13.685 ( 10.645 -2.605 -2.841) 11.321 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 0.000 1.816 3.926) 4.326 2.726 ( -0.000 11.977 3.812) 12.569 3.183 ( -0.000 8.856 -4.035) 9.732 4.113 ( -0.000 8.441 -3.127) 9.001 4.671 ( -0.000 14.617 -2.493) 14.828 5.661 ( -0.000 19.149 1.374) 19.198 7.461 ( -0.000 6.851 -0.571) 6.874 8.057 ( -0.000 0.765 -1.693) 1.858 9.414 ( -0.000 -9.685 -13.459) 16.582 9.580 ( -0.000 3.303 0.601) 3.357 11.113 ( 0.000 -36.282 12.797) 38.473 14.112 ( -0.000 4.414 -9.606) 10.571 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 2.057 0.217 2.665) 3.374 2.914 ( 8.331 7.843 2.846) 11.791 3.359 ( 10.834 11.016 -3.209) 15.781 4.176 ( 0.930 4.543 -2.435) 5.238 4.787 ( -0.499 10.635 -1.538) 10.757 5.853 ( 0.574 17.261 0.690) 17.284 7.656 ( 15.759 5.621 -0.386) 16.736 8.037 ( -3.532 3.139 -3.243) 5.731 9.251 ( -4.062 -6.081 -7.952) 10.803 9.627 ( -0.514 4.765 -0.707) 4.845 10.783 ( -1.257 -35.700 10.363) 37.194 14.066 ( -6.843 3.782 -7.661) 10.946 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 3.922 -0.281 2.040) 4.429 3.166 ( 12.201 5.401 1.766) 13.460 3.734 ( 18.448 13.343 -2.193) 22.873 4.221 ( 1.790 1.501 -1.513) 2.783 4.851 ( -1.816 6.795 -0.359) 7.042 6.014 ( 0.189 12.723 0.272) 12.728 7.973 ( -3.860 4.886 -1.676) 6.448 8.103 ( 25.220 6.118 -1.476) 25.993 9.119 ( -3.824 -2.292 -4.695) 6.475 9.645 ( -3.232 6.228 -1.269) 7.131 10.441 ( -2.148 -32.872 7.880) 33.872 13.908 ( -12.038 2.387 -5.744) 13.550 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 4.461 -0.141 1.260) 4.637 3.446 ( 13.419 5.403 0.968) 14.498 4.154 ( 8.954 11.132 2.100) 14.439 4.298 ( 11.406 3.468 -5.487) 13.124 4.865 ( -1.328 2.421 1.778) 3.284 6.093 ( -2.988 6.710 0.070) 7.345 7.940 ( -3.116 4.614 -1.380) 5.736 8.630 ( 24.438 6.909 0.355) 25.398 9.051 ( -1.774 2.114 -3.965) 4.831 9.636 ( -3.535 5.332 -1.833) 6.655 10.131 ( -1.809 -25.923 6.256) 26.729 13.682 ( -13.289 0.298 -3.677) 13.791 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 3.703 0.365 0.183) 3.726 3.729 ( 12.049 6.580 0.073) 13.729 4.244 ( 1.031 0.768 3.758) 3.971 4.551 ( 1.525 7.911 -7.387) 10.931 4.965 ( 12.400 4.242 3.746) 13.630 6.029 ( -8.050 -0.744 -0.063) 8.085 7.959 ( 0.637 3.690 -0.276) 3.755 8.929 ( 5.816 -0.048 1.065) 5.913 9.098 ( 0.155 6.956 -2.628) 7.438 9.650 ( 1.909 3.286 -3.180) 4.955 9.954 ( 2.698 -12.170 4.871) 13.383 13.462 ( -9.505 -1.914 -1.605) 9.827 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 2.304 1.377 -0.556) 2.741 3.972 ( 7.158 8.372 -1.619) 11.134 4.292 ( 3.547 -0.848 4.553) 5.833 4.473 ( -8.078 -2.144 -3.454) 9.044 5.308 ( 11.244 14.072 0.129) 18.013 5.813 ( -9.206 -10.902 0.613) 14.283 8.011 ( 1.687 1.636 -0.156) 2.355 8.984 ( 0.297 1.026 -1.063) 1.507 9.074 ( -1.849 -1.231 1.330) 2.589 9.670 ( -3.218 1.887 0.430) 3.755 10.017 ( 6.364 1.379 -0.726) 6.551 13.336 ( -1.604 -2.496 -0.230) 2.976 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 0.620 2.953 -0.395) 3.043 4.090 ( -4.059 8.451 -3.954) 10.175 4.273 ( -6.169 -6.908 -2.423) 9.573 4.396 ( 7.647 -1.786 6.152) 9.976 5.370 ( -20.784 5.600 -2.220) 21.639 5.718 ( 13.156 -6.310 2.305) 14.772 8.033 ( -0.436 0.934 -0.455) 1.127 8.927 ( -6.291 1.146 2.079) 6.724 9.121 ( 7.722 -3.415 -2.193) 8.724 9.602 ( -3.207 -4.044 1.460) 5.363 10.092 ( -1.910 6.367 -1.175) 6.750 13.362 ( 5.960 -0.295 -0.449) 5.984 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -1.408 4.787 0.525) 5.017 3.910 ( -14.797 -2.664 -2.695) 15.274 4.184 ( -1.295 -3.597 -3.563) 5.226 4.537 ( 6.498 0.548 5.007) 8.222 4.988 ( -19.285 -5.332 -1.211) 20.045 5.877 ( 4.242 2.434 1.511) 5.119 8.025 ( -2.826 4.119 -0.845) 5.066 8.783 ( -11.408 -5.098 3.115) 12.877 9.207 ( 7.983 -4.061 -7.053) 11.400 9.533 ( 3.031 -7.799 2.458) 8.721 10.115 ( -1.502 6.996 1.745) 7.365 13.506 ( 8.871 2.827 -2.012) 9.526 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 0.000 -1.091 3.029) 3.219 2.915 ( -0.000 5.536 2.245) 5.974 3.346 ( -0.000 9.189 -2.536) 9.532 4.200 ( -0.000 2.905 -1.420) 3.234 4.886 ( -0.000 8.817 -1.081) 8.883 6.003 ( -0.000 13.785 -0.832) 13.810 7.541 ( -0.000 2.136 -0.783) 2.276 8.102 ( -0.000 5.292 -3.771) 6.498 9.207 ( -0.000 -4.013 -5.758) 7.018 9.696 ( -0.000 6.992 0.640) 7.021 10.475 ( 0.000 -34.329 8.023) 35.255 14.144 ( -0.000 3.959 -6.085) 7.260 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 2.392 -1.068 4.122) 4.884 3.036 ( 7.864 3.493 1.756) 8.783 3.543 ( 13.331 8.511 -1.920) 15.933 4.223 ( 0.221 1.688 0.012) 1.702 4.944 ( -1.606 6.008 -1.002) 6.299 6.120 ( 0.392 9.780 -1.389) 9.886 7.721 ( 18.732 1.875 -0.592) 18.835 8.110 ( -4.263 6.083 -2.806) 7.940 9.150 ( -2.365 0.322 -3.270) 4.049 9.752 ( -1.774 6.284 -0.040) 6.530 10.167 ( -0.405 -30.723 5.845) 31.277 14.096 ( -7.637 3.312 -4.738) 9.579 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 3.901 -0.419 4.534) 5.996 3.254 ( 13.015 2.566 1.723) 13.377 3.934 ( 22.470 7.783 -2.049) 23.868 4.241 ( 0.095 1.022 1.413) 1.746 4.939 ( -3.539 2.495 -0.815) 4.406 6.192 ( -1.039 5.825 -1.402) 6.080 8.067 ( -5.643 5.175 -1.284) 7.763 8.179 ( 29.749 2.971 -0.381) 29.899 9.120 ( -2.815 5.061 -2.556) 6.330 9.719 ( -4.542 -5.124 -1.101) 6.935 9.938 ( 0.716 -15.821 5.332) 16.710 13.926 ( -13.445 2.323 -3.395) 14.060 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 4.060 0.179 3.607) 5.434 3.531 ( 15.280 2.178 1.957) 15.559 4.255 ( -0.015 0.302 2.321) 2.341 4.407 ( 22.628 7.612 -3.862) 24.184 4.878 ( -2.669 -1.786 0.910) 3.338 6.167 ( -6.101 1.589 -1.722) 6.536 8.024 ( -3.895 3.608 0.810) 5.370 8.692 ( 23.234 0.459 -1.098) 23.265 9.165 ( 0.455 11.762 -3.780) 12.362 9.541 ( 0.318 -14.612 -0.953) 14.646 9.888 ( -0.481 -2.423 5.772) 6.279 13.682 ( -15.292 1.528 -1.824) 15.477 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 3.613 0.916 2.047) 4.252 3.819 ( 14.829 1.516 2.246) 15.075 4.261 ( 0.068 -1.049 3.334) 3.496 4.607 ( -6.053 3.088 -7.262) 9.946 5.019 ( 22.502 -2.424 3.734) 22.938 5.995 ( -13.059 -1.266 -2.233) 13.309 8.013 ( -0.552 0.990 1.156) 1.619 8.903 ( 6.324 -2.161 -1.394) 6.827 9.195 ( -7.481 3.733 -0.576) 8.380 9.605 ( 11.965 -0.247 -5.995) 13.385 9.904 ( 4.290 -1.593 7.623) 8.891 13.455 ( -11.570 1.930 -0.217) 11.732 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 3.064 2.142 0.742) 3.811 4.059 ( 10.719 -0.920 2.305) 11.002 4.242 ( -1.125 -6.456 3.343) 7.357 4.456 ( -8.571 4.620 -5.423) 11.145 5.346 ( 16.131 -14.325 2.314) 21.697 5.743 ( -12.937 7.543 -2.559) 15.192 8.028 ( 1.530 -0.078 0.556) 1.630 8.952 ( 4.190 -3.666 -2.788) 6.227 9.095 ( -7.197 2.955 2.788) 8.264 9.618 ( -4.023 -4.764 -1.759) 6.478 10.078 ( 8.810 2.365 1.588) 9.259 13.357 ( -3.003 4.449 0.581) 5.400 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 2.179 3.774 -0.000) 4.357 4.038 ( -7.781 -13.477 -0.000) 15.561 4.164 ( -0.246 -0.426 -0.000) 0.492 4.476 ( 3.428 5.938 -0.000) 6.857 5.145 ( -10.969 -19.000 -0.000) 21.939 5.839 ( 5.690 9.855 -0.000) 11.379 8.076 ( 2.103 3.642 -0.000) 4.205 8.896 ( -5.613 -9.722 -0.000) 11.226 9.058 ( 0.718 1.243 -0.000) 1.435 9.466 ( -3.782 -6.550 0.000) 7.563 10.180 ( 0.800 1.385 -0.000) 1.599 13.438 ( 4.461 7.727 0.000) 8.922 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 0.000 -0.792 6.830) 6.876 2.998 ( 0.000 2.028 1.573) 2.566 3.486 ( -0.000 5.711 -1.443) 5.891 4.239 ( 0.000 1.535 1.393) 2.073 5.006 ( -0.000 4.040 -1.542) 4.324 6.190 ( -0.000 6.465 -1.961) 6.756 7.559 ( -0.000 0.509 -0.048) 0.511 8.210 ( -0.000 6.917 -0.700) 6.953 9.182 ( -0.000 3.913 -2.412) 4.597 9.825 ( -0.000 4.984 -0.099) 4.985 9.895 ( 0.000 -26.979 3.159) 27.163 14.182 ( -0.000 3.029 -3.840) 4.891 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 2.127 -0.128 8.337) 8.605 3.090 ( 8.130 0.892 1.756) 8.365 3.653 ( 14.297 3.485 -1.365) 14.779 4.262 ( -0.011 1.647 2.855) 3.296 5.008 ( -2.324 1.428 -2.102) 3.443 6.236 ( 0.209 3.370 -1.911) 3.880 7.741 ( 19.671 0.681 -0.189) 19.684 8.233 ( -4.989 6.094 2.328) 8.212 9.214 ( -1.647 7.338 -2.396) 7.893 9.640 ( -2.540 -19.074 0.488) 19.249 9.874 ( 1.126 1.097 0.599) 1.682 14.128 ( -7.900 2.390 -3.015) 8.787 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 3.117 -0.027 7.271) 7.911 3.293 ( 13.729 -0.118 2.444) 13.945 4.004 ( 23.284 0.823 -2.194) 23.402 4.291 ( 0.130 2.032 4.518) 4.955 4.941 ( -4.710 -1.144 -2.452) 5.432 6.235 ( -1.919 -0.210 -2.341) 3.034 8.120 ( 7.352 0.285 -0.691) 7.390 8.252 ( 15.216 3.050 3.359) 15.878 9.265 ( -0.011 8.052 -2.481) 8.425 9.441 ( -4.035 -8.514 -0.686) 9.447 9.893 ( 0.410 -1.076 2.306) 2.578 13.952 ( -13.617 2.120 -1.914) 13.913 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 3.604 -0.171 4.620) 5.862 3.555 ( 16.053 -1.732 3.290) 16.478 4.264 ( 2.368 -1.096 2.099) 3.349 4.471 ( 20.948 0.560 -1.350) 20.999 4.822 ( -4.581 -3.354 -0.844) 5.740 6.136 ( -6.557 -3.119 -3.094) 7.893 8.067 ( -4.850 -1.042 2.578) 5.591 8.658 ( 20.131 -2.776 -2.553) 20.481 9.291 ( 0.475 -7.578 2.539) 8.006 9.447 ( 3.368 18.864 -5.874) 20.042 9.879 ( -0.385 -3.913 5.424) 6.699 13.719 ( -14.995 2.985 -0.366) 15.294 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 4.237 0.163 1.814) 4.611 3.805 ( 14.758 -5.537 4.042) 16.272 4.250 ( -2.216 -2.601 3.861) 5.156 4.603 ( -5.176 2.248 -8.549) 10.243 4.903 ( 19.394 -11.030 4.202) 22.704 5.955 ( -8.851 -1.317 -3.186) 9.499 8.002 ( -0.553 -2.798 1.429) 3.190 8.816 ( 6.458 -5.895 -3.683) 9.488 9.246 ( -3.802 1.720 4.843) 6.393 9.650 ( -1.469 6.352 -5.971) 8.841 9.916 ( 9.545 0.478 4.789) 10.690 13.535 ( -10.449 5.621 1.256) 11.932 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 0.000 0.233 11.150) 11.153 3.024 ( 0.000 -0.427 1.587) 1.643 3.542 ( -0.000 0.703 -0.978) 1.204 4.294 ( 0.000 2.214 4.396) 4.922 5.025 ( -0.000 -0.604 -2.969) 3.030 6.247 ( -0.000 0.541 -1.954) 2.028 7.572 ( 0.000 0.603 0.858) 1.049 8.348 ( 0.000 4.360 5.600) 7.097 9.289 ( -0.000 4.906 -1.973) 5.288 9.515 ( 0.000 -7.171 -1.614) 7.350 9.869 ( -0.000 -0.478 -0.921) 1.038 14.209 ( -0.000 1.826 -2.747) 3.299 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 1.065 -0.416 10.535) 10.597 3.095 ( 8.536 -1.725 2.093) 8.956 3.660 ( 14.205 -1.918 -1.060) 14.373 4.334 ( -0.233 2.594 6.025) 6.564 4.976 ( -2.487 -2.536 -3.720) 5.144 6.226 ( -0.324 -3.292 -2.610) 4.214 7.749 ( 18.518 0.005 0.252) 18.520 8.342 ( -5.448 -0.103 6.837) 8.743 9.284 ( -1.121 -1.598 0.867) 2.136 9.523 ( -1.919 12.862 -4.679) 13.821 9.860 ( 1.309 -3.098 -0.035) 3.363 14.150 ( -7.539 1.615 -2.230) 8.027 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 2.054 -1.726 7.026) 7.521 3.278 ( 13.936 -3.495 3.078) 14.694 3.944 ( 21.878 -5.516 -1.436) 22.608 4.374 ( -0.135 2.030 6.947) 7.239 4.873 ( -4.398 -2.985 -3.939) 6.616 6.143 ( -2.043 -7.331 -3.682) 8.454 8.082 ( 11.683 -3.719 -0.304) 12.264 8.277 ( 7.084 -3.915 2.931) 8.608 9.264 ( -1.659 1.394 4.190) 4.717 9.642 ( -1.992 21.231 -6.469) 22.284 9.851 ( 0.977 -4.317 3.465) 5.621 13.986 ( -12.438 2.451 -1.069) 12.723 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 3.691 -2.463 3.030) 5.373 3.496 ( 15.166 -6.761 3.577) 16.986 4.189 ( 11.220 -9.249 1.817) 14.653 4.446 ( 8.351 -2.125 0.644) 8.641 4.767 ( -3.717 -0.404 -0.901) 3.845 5.996 ( -3.422 -8.855 -4.074) 10.331 8.011 ( -4.176 -5.460 1.544) 7.045 8.524 ( 17.371 -8.839 -3.766) 19.851 9.296 ( 0.528 3.574 7.043) 7.916 9.772 ( -4.082 6.256 -4.320) 8.629 9.874 ( 2.305 12.656 2.485) 13.102 13.797 ( -12.679 4.750 0.822) 13.565 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 0.000 -1.692 11.547) 11.670 2.998 ( 0.000 -3.565 1.489) 3.863 3.503 ( 0.000 -3.887 -0.711) 3.951 4.387 ( 0.000 2.655 7.920) 8.354 4.950 ( -0.000 -3.996 -4.437) 5.971 6.166 ( -0.000 -7.573 -3.442) 8.319 7.590 ( 0.000 0.146 1.154) 1.163 8.383 ( 0.000 -6.419 6.226) 8.943 9.330 ( 0.000 6.741 5.181) 8.502 9.686 ( -0.000 19.924 -6.500) 20.958 9.798 ( 0.000 -5.499 -1.173) 5.623 14.221 ( -0.000 1.333 -2.449) 2.788 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -0.055 -3.941 8.628) 9.486 3.040 ( 9.114 -5.612 2.098) 10.907 3.570 ( 13.068 -6.275 -0.774) 14.517 4.427 ( -0.791 0.494 8.674) 8.724 4.879 ( -1.779 -3.328 -4.151) 5.610 6.050 ( -0.353 -12.370 -4.680) 13.231 7.733 ( 15.785 -2.125 0.069) 15.927 8.272 ( -4.377 -9.268 3.220) 10.743 9.402 ( -5.411 9.775 7.796) 13.624 9.779 ( 3.695 -3.577 1.662) 5.405 9.873 ( -1.044 24.219 -7.014) 25.236 14.169 ( -6.612 1.998 -2.024) 7.198 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 1.798 -5.635 4.169) 7.237 3.183 ( 13.648 -8.396 2.717) 16.252 3.775 ( 18.926 -10.516 -0.732) 21.664 4.413 ( -1.295 -4.456 5.437) 7.147 4.822 ( -2.116 1.302 -0.563) 2.548 5.885 ( -0.212 -15.812 -5.395) 16.708 7.964 ( 9.272 -7.696 -1.103) 12.100 8.156 ( 6.131 -7.834 -0.138) 9.949 9.395 ( -4.614 4.263 6.378) 8.952 9.834 ( -0.293 2.877 5.697) 6.389 10.086 ( -1.273 26.668 -5.947) 27.353 14.042 ( -10.277 3.950 -0.505) 11.021 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 0.000 -6.856 8.246) 10.724 2.889 ( 0.000 -8.698 0.969) 8.752 3.392 ( 0.000 -6.446 -0.487) 6.465 4.445 ( 0.000 -4.881 7.677) 9.097 4.857 ( -0.000 -1.075 -1.555) 1.891 5.886 ( 0.000 -17.351 -6.100) 18.392 7.574 ( 0.000 -2.855 0.518) 2.902 8.215 ( 0.000 -10.565 0.834) 10.598 9.665 ( 0.000 -6.357 -0.562) 6.382 9.666 ( 0.000 17.897 13.742) 22.564 10.113 ( -0.000 27.399 -7.490) 28.404 14.238 ( -0.000 2.330 -2.590) 3.484 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -0.267 -9.426 4.785) 10.575 2.883 ( 9.967 -11.861 1.381) 15.554 3.418 ( 10.519 -8.082 -0.591) 13.279 4.373 ( -0.892 -11.179 3.408) 11.721 4.863 ( -0.126 1.694 3.969) 4.318 5.676 ( 0.382 -20.595 -7.343) 21.869 7.645 ( 12.042 -7.042 -0.749) 13.970 8.096 ( -2.367 -7.689 -0.563) 8.065 9.536 ( -6.574 -1.372 2.425) 7.140 9.923 ( 1.776 13.925 10.995) 17.831 10.367 ( -1.000 29.653 -5.453) 30.167 14.211 ( -5.223 3.803 -2.036) 6.774 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.000 -13.287 3.987) 13.873 2.653 ( 0.000 -15.664 0.333) 15.668 3.257 ( 0.000 -6.599 -0.526) 6.620 4.247 ( 0.000 -16.364 0.548) 16.373 4.870 ( 0.000 -5.814 8.689) 10.455 5.444 ( -0.000 -18.082 -9.201) 20.288 7.464 ( 0.000 -8.488 -0.478) 8.502 8.048 ( 0.000 -4.767 -1.610) 5.031 9.577 ( 0.000 -1.846 0.460) 1.903 10.112 ( 0.000 16.579 11.048) 19.922 10.668 ( -0.000 31.670 -2.092) 31.739 14.286 ( -0.000 4.460 -2.836) 5.285 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.000 -0.000 21.516) 21.516 0.704 ( 0.000 -0.000 21.516) 21.516 1.382 ( 0.000 -0.000 43.378) 43.378 2.776 ( -0.000 0.000 -3.595) 3.595 2.776 ( -0.000 0.000 -3.595) 3.595 6.211 ( -0.000 0.000 -13.187) 13.187 6.584 ( 0.000 -0.000 1.844) 1.844 6.584 ( 0.000 -0.000 1.844) 1.844 10.020 ( -0.000 0.000 -1.140) 1.140 10.020 ( -0.000 0.000 -1.140) 1.140 13.057 ( 0.000 -0.000 3.329) 3.329 13.479 ( -0.000 0.000 -1.688) 1.688 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 16.287 9.404 16.127) 24.774 1.170 ( 20.231 11.681 20.206) 30.887 1.740 ( 22.862 13.199 29.725) 39.755 2.769 ( 1.173 0.677 -4.138) 4.354 2.904 ( 11.077 6.395 -3.289) 13.207 5.520 ( -15.466 -8.929 0.054) 17.859 6.644 ( 4.376 2.526 1.931) 5.409 8.035 ( 58.682 33.880 -31.676) 74.798 9.749 ( -17.026 -9.830 -4.954) 20.274 9.977 ( -3.464 -2.000 -1.137) 4.158 12.987 ( -7.202 -4.158 5.522) 9.983 13.765 ( 17.791 10.272 -15.781) 25.905 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 21.057 12.157 10.735) 26.579 1.565 ( 10.555 6.094 22.218) 25.341 2.570 ( 39.080 22.563 11.777) 46.637 2.800 ( 2.780 1.605 -4.532) 5.554 3.234 ( 17.971 10.375 -2.447) 20.895 5.306 ( -5.283 -3.050 -4.928) 7.842 6.792 ( 7.894 4.558 1.751) 9.282 8.604 ( -3.843 -2.219 -1.391) 4.651 9.571 ( 10.582 6.110 -26.716) 29.378 9.864 ( -5.755 -3.323 -1.076) 6.732 12.795 ( -11.504 -6.642 10.964) 17.224 13.959 ( 4.212 2.432 -20.884) 21.442 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 11.180 6.454 14.346) 19.299 1.983 ( 21.069 12.164 7.746) 25.532 2.862 ( 3.925 2.266 -4.848) 6.636 3.458 ( 32.032 18.494 8.576) 37.969 3.703 ( 25.252 14.579 -5.224) 29.622 5.199 ( -2.696 -1.557 -5.216) 6.075 7.006 ( 10.039 5.796 1.329) 11.668 8.291 ( -16.429 -9.485 2.942) 19.197 9.725 ( -5.659 -3.267 -0.897) 6.595 9.761 ( 7.993 4.615 -23.436) 25.188 12.534 ( -15.846 -9.149 16.141) 24.399 13.874 ( -3.658 -2.112 -20.583) 21.012 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 12.300 7.101 6.183) 15.490 2.464 ( 18.504 10.684 6.270) 22.268 2.944 ( 4.630 2.673 -5.248) 7.492 4.016 ( 17.720 10.231 7.278) 21.717 4.322 ( 24.836 14.339 -11.621) 30.943 5.183 ( 3.886 2.243 1.114) 4.623 7.241 ( 9.622 5.556 0.705) 11.133 7.999 ( -8.729 -5.040 0.893) 10.119 9.622 ( -2.706 -1.562 -0.515) 3.167 9.729 ( -4.071 -2.351 -17.635) 18.251 12.125 ( -25.287 -14.600 14.059) 32.408 13.750 ( -0.580 -0.335 -14.276) 14.291 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 11.693 6.751 -0.901) 13.532 2.851 ( 12.746 7.359 5.603) 15.748 3.045 ( 6.351 3.667 -5.626) 9.243 4.373 ( 11.038 6.373 4.125) 13.397 4.602 ( 5.920 3.418 -13.493) 15.125 5.450 ( 15.977 9.225 6.872) 19.687 7.431 ( 6.604 3.813 -0.063) 7.626 7.917 ( 1.668 0.963 -0.718) 2.056 9.511 ( -9.327 -5.385 -12.726) 16.672 9.611 ( 1.825 1.054 0.097) 2.110 11.472 ( -33.784 -19.505 6.616) 39.567 13.770 ( 4.510 2.604 -4.896) 7.148 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 9.107 5.258 -7.307) 12.806 3.037 ( 3.840 2.217 0.048) 4.434 3.234 ( 9.728 5.617 -0.606) 11.249 4.473 ( -0.275 -0.159 -7.741) 7.747 4.725 ( 6.935 4.004 2.123) 8.285 5.818 ( 12.984 7.496 5.088) 15.832 7.540 ( 3.245 1.873 -0.762) 3.823 8.057 ( 10.373 5.989 -2.611) 12.259 9.271 ( -7.673 -4.430 -7.124) 11.369 9.692 ( 4.564 2.635 0.749) 5.323 10.683 ( -35.016 -20.217 1.906) 40.478 13.887 ( 5.615 3.242 0.762) 6.529 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 4.745 2.739 -12.594) 13.734 3.090 ( 1.437 0.830 -2.038) 2.628 3.417 ( 5.714 3.299 1.260) 6.717 4.435 ( 0.221 0.128 -6.257) 6.262 4.858 ( 3.117 1.800 4.334) 5.633 6.060 ( 6.811 3.932 3.848) 8.755 7.587 ( 1.414 0.816 -1.148) 1.996 8.337 ( 14.279 8.244 -5.752) 17.463 9.147 ( -1.423 -0.822 -1.277) 2.081 9.793 ( 3.375 1.949 1.171) 4.069 9.941 ( -28.969 -16.725 1.168) 33.471 14.008 ( 4.102 2.368 3.169) 5.698 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -0.339 -0.196 -14.866) 14.871 3.092 ( -0.666 -0.384 -2.462) 2.579 3.498 ( 0.975 0.563 1.674) 2.017 4.464 ( 3.945 2.278 -5.217) 6.926 4.890 ( -1.527 -0.882 4.798) 5.112 6.152 ( 0.036 0.021 3.824) 3.824 7.606 ( 0.701 0.405 -1.148) 1.405 8.592 ( 6.799 3.926 -8.926) 11.888 9.202 ( 5.168 2.983 3.086) 6.718 9.460 ( -9.325 -5.384 1.712) 10.903 9.832 ( -0.559 -0.323 1.234) 1.392 14.091 ( 2.097 1.211 4.282) 4.919 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -4.632 -2.674 -13.322) 14.355 3.038 ( -3.563 -2.057 -2.353) 4.740 3.478 ( -3.062 -1.768 1.714) 3.929 4.556 ( 4.641 2.679 -8.142) 9.747 4.836 ( -3.831 -2.212 6.539) 7.895 6.079 ( -7.846 -4.530 4.745) 10.227 7.610 ( -0.239 -0.138 -0.791) 0.838 8.486 ( -11.047 -6.378 -3.489) 13.225 9.403 ( 13.365 7.716 0.907) 15.459 9.610 ( 16.919 9.768 -1.975) 19.636 9.776 ( -4.388 -2.534 0.912) 5.149 14.142 ( 1.338 0.772 5.066) 5.297 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -8.130 -4.694 -9.275) 13.197 2.902 ( -7.970 -4.601 -1.683) 9.356 3.383 ( -5.344 -3.085 1.347) 6.316 4.511 ( -7.294 -4.211 -5.167) 9.881 4.846 ( 3.643 2.103 0.476) 4.233 5.822 ( -16.025 -9.252 6.440) 19.593 7.578 ( -2.828 -1.633 -0.169) 3.270 8.217 ( -10.466 -6.043 0.398) 12.092 9.661 ( -5.139 -2.967 0.265) 5.940 9.767 ( 17.294 9.985 -4.350) 20.438 10.078 ( 23.843 13.766 -2.415) 27.637 14.199 ( 2.385 1.377 5.075) 5.774 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 17.503 15.637) 23.471 1.241 ( 0.000 26.479 19.119) 32.660 1.838 ( 0.000 21.735 30.424) 37.390 2.788 ( -0.000 2.942 -3.954) 4.928 2.856 ( -0.000 10.851 -3.817) 11.502 5.517 ( 0.000 -18.540 -1.185) 18.578 6.639 ( -0.000 4.705 1.901) 5.074 7.912 ( -0.000 63.203 -26.464) 68.520 9.811 ( -0.000 -11.898 -6.393) 13.507 9.966 ( 0.000 -4.422 -1.231) 4.590 12.993 ( 0.000 -9.785 5.773) 11.361 13.701 ( -0.000 17.439 -13.314) 21.941 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 11.847 20.065 11.787) 26.113 1.590 ( 5.686 12.795 23.223) 27.118 2.375 ( 20.118 34.446 13.967) 42.266 2.800 ( -0.182 4.761 -4.298) 6.417 3.084 ( 11.537 13.631 -2.511) 18.034 5.331 ( -4.128 -6.569 -4.652) 9.046 6.751 ( 4.806 7.287 1.906) 8.934 8.480 ( 14.022 13.067 -9.377) 21.337 9.567 ( -9.851 2.674 -17.985) 20.680 9.906 ( -1.837 -3.302 -2.632) 4.605 12.858 ( -4.326 -13.768 9.564) 17.313 13.862 ( 4.891 9.185 -18.715) 21.414 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 6.114 8.788 17.991) 20.935 1.869 ( 15.058 20.314 9.120) 26.880 2.846 ( 1.432 6.085 -4.843) 7.908 3.188 ( 28.486 31.865 6.025) 43.164 3.469 ( 17.426 14.339 -2.029) 22.658 5.213 ( -2.861 -1.913 -5.787) 6.733 6.951 ( 7.224 10.504 1.826) 12.879 8.434 ( -10.622 -13.824 4.020) 17.891 9.541 ( 4.995 2.714 -18.457) 19.313 9.838 ( -3.364 3.367 -7.912) 9.234 12.649 ( -7.226 -16.895 14.520) 23.420 13.866 ( -2.883 2.546 -20.600) 20.956 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 7.939 8.091 10.175) 15.232 2.357 ( 14.729 19.547 7.046) 25.470 2.926 ( 1.921 7.504 -5.141) 9.296 3.856 ( 17.110 14.233 7.524) 23.493 4.008 ( 26.584 20.872 -9.334) 35.064 5.170 ( 0.495 2.223 -2.041) 3.058 7.204 ( 7.112 13.405 1.622) 15.262 8.110 ( -11.466 -9.704 2.201) 15.182 9.535 ( 2.957 -7.104 -8.125) 11.191 9.777 ( -5.010 2.285 -11.770) 12.994 12.337 ( -14.289 -21.311 15.000) 29.721 13.743 ( -4.164 1.783 -17.016) 17.609 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 9.244 6.953 2.580) 11.851 2.789 ( 11.192 16.729 6.367) 21.110 3.027 ( 2.270 9.969 -5.770) 11.740 4.249 ( 13.284 8.264 4.792) 16.362 4.461 ( 11.657 8.668 -13.458) 19.802 5.332 ( 11.229 10.286 5.449) 16.173 7.448 ( 3.674 15.023 1.176) 15.511 7.915 ( -3.310 -3.741 0.537) 5.024 9.479 ( 0.852 -6.958 -9.209) 11.574 9.638 ( -5.454 -1.339 -5.404) 7.793 11.802 ( -25.887 -24.216 8.104) 36.363 13.702 ( 2.390 1.810 -7.650) 8.217 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 8.637 4.649 -4.259) 10.693 3.049 ( 2.309 9.053 1.066) 9.404 3.215 ( 5.719 16.739 -1.274) 17.735 4.435 ( 2.509 0.964 -7.283) 7.763 4.641 ( 8.238 5.357 0.264) 9.830 5.695 ( 13.477 10.543 5.733) 18.046 7.619 ( -1.633 15.298 0.448) 15.392 7.932 ( 6.705 0.805 -0.912) 6.814 9.314 ( -6.185 -6.538 -9.149) 12.834 9.630 ( 4.298 0.576 0.300) 4.347 11.069 ( -32.575 -22.653 1.835) 39.720 13.787 ( 7.063 -0.091 -0.447) 7.078 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 6.177 1.569 -9.963) 11.827 3.138 ( -1.104 8.794 -2.428) 9.189 3.454 ( 2.162 15.579 1.560) 15.806 4.415 ( -0.266 0.093 -7.700) 7.706 4.815 ( 5.550 2.200 4.363) 7.395 5.989 ( 8.697 6.209 4.373) 11.546 7.706 ( -5.439 15.235 -0.197) 16.178 8.128 ( 13.603 2.893 -3.230) 14.278 9.155 ( -2.769 -3.618 -3.527) 5.762 9.727 ( 4.643 -0.250 1.308) 4.830 10.314 ( -30.890 -15.994 -0.743) 34.793 13.911 ( 7.845 -2.420 2.713) 8.646 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 2.587 -1.391 -13.119) 13.444 3.174 ( -3.757 8.727 -3.551) 10.143 3.596 ( -3.008 13.346 2.067) 13.836 4.412 ( 2.055 1.452 -5.848) 6.367 4.894 ( 1.455 -1.242 4.686) 5.061 6.145 ( 3.223 1.819 3.795) 5.301 7.745 ( -7.391 15.362 -0.507) 17.055 8.385 ( 14.263 0.657 -6.662) 15.756 9.148 ( 4.178 0.764 1.527) 4.513 9.609 ( -14.566 -12.933 2.234) 19.606 9.898 ( -5.616 3.922 -0.902) 6.909 14.014 ( 6.564 -4.171 3.808) 8.659 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -1.084 -3.429 -12.817) 13.312 3.154 ( -6.654 7.573 -3.646) 10.720 3.629 ( -8.003 10.972 1.975) 13.723 4.471 ( 4.586 2.171 -6.966) 8.618 4.879 ( -1.928 -3.617 5.541) 6.892 6.155 ( -3.359 -2.545 4.164) 5.924 7.756 ( -8.413 14.455 -0.426) 16.730 8.484 ( 1.400 -7.865 -6.518) 10.311 9.279 ( 6.182 2.400 1.941) 6.909 9.448 ( 8.021 2.573 1.779) 8.610 9.866 ( -4.284 2.709 -0.689) 5.115 14.082 ( 5.237 -4.774 4.209) 8.242 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -4.473 -4.501 -9.626) 11.530 3.065 ( -10.187 5.493 -2.907) 11.933 3.558 ( -11.597 8.141 1.514) 14.250 4.515 ( 0.515 -1.194 -8.613) 8.710 4.833 ( -0.401 -1.934 4.968) 5.347 6.000 ( -11.327 -6.811 5.294) 14.238 7.734 ( -9.568 11.709 0.038) 15.121 8.297 ( -7.599 -9.716 -1.687) 12.449 9.471 ( 12.903 -0.230 -5.484) 14.022 9.757 ( 7.651 4.971 6.415) 11.153 9.857 ( 9.770 10.249 -4.651) 14.904 14.139 ( 5.142 -4.031 3.969) 7.644 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 21.674 10.232) 23.967 1.758 ( 0.000 12.063 23.191) 26.141 2.638 ( -0.000 42.467 8.556) 43.321 2.837 ( -0.000 4.671 -4.433) 6.439 3.135 ( -0.000 18.361 -1.101) 18.394 5.285 ( -0.000 -5.231 -5.489) 7.582 6.794 ( -0.000 9.500 1.767) 9.663 8.453 ( -0.000 4.017 -1.684) 4.356 9.668 ( -0.000 8.622 -24.329) 25.812 9.839 ( 0.000 -7.225 -1.090) 7.307 12.760 ( 0.000 -19.172 11.436) 22.324 13.865 ( -0.000 10.444 -18.495) 21.240 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 10.889 21.345 8.433) 25.403 1.948 ( 1.854 9.094 19.055) 21.196 2.879 ( 0.902 6.681 -4.893) 8.330 3.201 ( 13.491 40.446 0.412) 42.639 3.402 ( 8.293 18.596 2.464) 20.510 5.216 ( -1.548 -1.208 -5.824) 6.146 6.957 ( 5.762 12.060 1.788) 13.485 8.410 ( -2.180 -12.914 4.581) 13.875 9.555 ( -7.792 3.629 -16.693) 18.776 9.835 ( 2.921 0.130 -9.835) 10.261 12.573 ( -2.261 -23.119 14.605) 27.439 13.884 ( -1.642 6.747 -19.473) 20.674 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 3.627 7.691 12.070) 14.765 2.344 ( 14.183 21.008 7.513) 26.438 2.967 ( 1.928 9.364 -5.314) 10.938 3.755 ( 14.225 14.982 -1.291) 20.700 3.849 ( 16.543 31.070 -0.040) 35.200 5.189 ( -0.305 3.643 -3.211) 4.866 7.230 ( 8.527 15.925 2.162) 18.193 8.186 ( -8.508 -12.378 2.977) 15.312 9.427 ( -1.894 -3.724 -9.563) 10.435 9.811 ( -1.813 -0.904 -11.202) 11.384 12.311 ( -5.764 -27.165 15.639) 31.871 13.806 ( -5.810 4.538 -17.842) 19.305 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 5.630 6.441 5.347) 10.088 2.800 ( 12.018 18.609 7.071) 23.254 3.096 ( 2.239 13.996 -5.853) 15.335 4.117 ( 13.344 9.209 1.377) 16.272 4.333 ( 11.732 16.554 -8.047) 21.827 5.304 ( 6.270 11.372 2.786) 13.281 7.554 ( 6.648 19.771 2.640) 21.026 7.959 ( -6.709 -5.998 0.941) 9.048 9.349 ( 1.709 -6.335 -7.908) 10.276 9.686 ( -5.155 -4.042 -7.857) 10.229 11.910 ( -14.040 -29.669 11.123) 34.657 13.702 ( -3.709 2.898 -11.349) 12.286 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 6.266 4.435 -0.778) 7.716 3.112 ( 4.193 11.809 2.350) 12.750 3.323 ( 4.974 22.326 -1.650) 22.933 4.352 ( 6.582 2.478 -5.723) 9.067 4.571 ( 6.948 8.414 -1.472) 11.011 5.614 ( 11.402 13.111 5.051) 18.095 7.829 ( 2.562 13.275 2.296) 13.714 7.876 ( -1.864 8.003 0.331) 8.224 9.275 ( -0.723 -7.033 -9.277) 11.664 9.576 ( 0.375 -2.146 -1.930) 2.911 11.321 ( -23.531 -27.406 4.015) 36.345 13.680 ( 2.719 -0.865 -3.610) 4.601 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 5.136 2.081 -6.066) 8.216 3.255 ( -0.354 12.259 -1.847) 12.402 3.622 ( 2.343 22.323 2.238) 22.557 4.389 ( 0.807 0.705 -8.509) 8.576 4.756 ( 5.895 4.051 3.824) 8.110 5.918 ( 9.187 7.835 4.439) 12.864 7.929 ( 7.243 0.962 -1.189) 7.403 8.037 ( -5.325 23.899 2.179) 24.582 9.141 ( -2.647 -5.556 -5.772) 8.437 9.637 ( 5.961 -0.232 0.314) 5.974 10.638 ( -27.084 -20.398 -0.890) 33.918 13.738 ( 7.429 -5.128 0.987) 9.081 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 2.725 0.070 -9.571) 9.952 3.339 ( -3.556 13.018 -3.539) 13.951 3.840 ( -3.056 20.633 3.496) 21.149 4.383 ( 0.743 1.645 -6.950) 7.180 4.861 ( 2.576 -0.311 4.073) 4.830 6.106 ( 5.245 2.294 3.946) 6.953 8.065 ( 0.873 9.612 -1.270) 9.735 8.184 ( 0.711 14.941 -0.496) 14.967 9.086 ( 2.589 -1.810 -0.627) 3.221 9.667 ( -3.516 -7.470 2.414) 8.602 10.087 ( -16.215 -4.968 -4.068) 17.440 13.823 ( 9.049 -8.094 2.727) 12.443 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -0.131 -1.148 -10.260) 10.325 3.362 ( -7.005 12.464 -4.302) 14.931 3.946 ( -8.911 18.859 3.484) 21.148 4.407 ( 2.395 2.119 -6.506) 7.250 4.872 ( -0.153 -3.875 4.198) 5.715 6.170 ( 0.593 -2.174 3.906) 4.509 8.117 ( -8.734 15.617 -0.335) 17.897 8.324 ( 3.995 2.457 -3.530) 5.870 9.203 ( 8.481 3.592 3.381) 9.811 9.424 ( -7.148 -7.035 0.909) 10.070 9.954 ( -3.579 2.641 -3.600) 5.722 13.900 ( 8.840 -9.219 3.040) 13.129 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -2.906 -1.511 -8.122) 8.757 3.313 ( -10.425 10.536 -3.996) 15.351 3.925 ( -14.900 16.135 2.316) 22.084 4.448 ( 2.656 0.427 -7.618) 8.079 4.829 ( -0.663 -4.609 4.720) 6.631 6.103 ( -5.740 -5.648 4.347) 9.151 8.079 ( -10.827 10.913 0.094) 15.373 8.300 ( -5.557 -1.321 -1.759) 5.977 9.304 ( 4.472 0.997 -3.688) 5.881 9.576 ( 17.656 7.357 6.537) 20.214 9.894 ( -3.648 1.145 -5.027) 6.316 13.968 ( 8.461 -8.569 2.461) 12.291 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -0.000 21.184 7.134) 22.353 2.074 ( 0.000 6.983 16.394) 17.819 2.911 ( -0.000 5.930 -4.952) 7.726 3.453 ( -0.000 30.969 -8.305) 32.063 3.595 ( -0.000 30.848 9.013) 32.138 5.210 ( -0.000 1.777 -5.191) 5.487 7.027 ( -0.000 12.459 1.196) 12.517 8.319 ( 0.000 -12.815 5.055) 13.776 9.677 ( -0.000 5.231 -24.327) 24.883 9.685 ( 0.000 -7.056 -0.609) 7.082 12.389 ( 0.000 -27.607 15.968) 31.893 13.914 ( -0.000 7.901 -18.429) 20.051 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 1.140 5.726 11.140) 12.577 2.340 ( 10.980 19.370 6.641) 23.235 2.988 ( 3.322 7.831 -5.302) 10.024 3.733 ( 6.334 19.005 -3.660) 20.364 3.995 ( 5.377 32.030 1.773) 32.527 5.234 ( -0.111 7.206 -2.914) 7.774 7.232 ( 8.338 13.903 1.180) 16.255 8.180 ( -3.791 -11.186 2.940) 12.171 9.466 ( -8.604 -2.726 -9.043) 12.776 9.732 ( 3.849 -3.884 -10.860) 12.159 12.134 ( -1.950 -31.444 16.167) 35.411 13.895 ( -4.170 6.824 -16.778) 18.587 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 2.979 4.543 6.038) 8.122 2.767 ( 14.021 15.935 6.499) 22.198 3.150 ( 5.848 13.236 -5.691) 15.549 4.012 ( 9.220 10.983 -1.255) 14.395 4.357 ( 5.495 20.755 -3.598) 21.769 5.358 ( 3.016 14.361 0.970) 14.706 7.581 ( 12.821 17.018 1.975) 21.399 8.009 ( -5.560 -6.257 0.329) 8.377 9.292 ( -4.510 -4.052 -6.897) 9.183 9.669 ( -1.482 -5.497 -7.827) 9.679 11.796 ( -5.750 -34.025 13.399) 37.017 13.801 ( -7.223 4.927 -12.975) 15.646 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 4.261 3.231 1.603) 5.583 3.121 ( 9.263 10.634 3.536) 14.539 3.430 ( 8.177 21.428 -2.749) 23.099 4.234 ( 8.187 3.762 -3.367) 9.618 4.576 ( 3.536 11.838 -2.097) 12.531 5.612 ( 6.824 15.767 3.030) 17.445 7.848 ( -1.720 0.262 0.670) 1.864 8.029 ( 8.600 19.490 1.721) 21.373 9.181 ( -0.690 -5.343 -6.889) 8.745 9.557 ( -2.460 -3.584 -4.325) 6.133 11.345 ( -12.113 -32.879 7.857) 35.909 13.685 ( -5.290 1.372 -7.259) 9.086 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 4.075 1.895 -2.281) 5.040 3.345 ( 4.217 11.474 -0.366) 12.230 3.784 ( 6.338 22.261 1.992) 23.231 4.338 ( 3.537 1.480 -7.284) 8.231 4.734 ( 4.047 6.989 2.460) 8.443 5.873 ( 6.819 9.482 3.140) 12.094 7.842 ( 2.266 0.701 -0.388) 2.403 8.362 ( 0.914 24.995 3.615) 25.272 9.096 ( -0.891 -5.274 -6.303) 8.267 9.536 ( 3.979 -0.429 -1.689) 4.344 10.800 ( -17.950 -26.591 2.053) 32.148 13.613 ( 0.323 -3.759 -2.078) 4.307 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 2.600 0.946 -5.296) 5.975 3.501 ( -0.063 13.623 -2.461) 13.843 4.072 ( 1.772 18.283 5.667) 19.223 4.369 ( 1.149 3.510 -8.312) 9.095 4.851 ( 1.666 3.886 2.843) 5.095 6.041 ( 5.264 1.489 3.242) 6.359 7.934 ( 7.007 1.124 -1.188) 7.196 8.573 ( -6.871 25.818 3.724) 26.975 9.025 ( 0.629 -3.201 -2.593) 4.167 9.619 ( 3.715 -1.734 0.180) 4.104 10.274 ( -16.790 -14.467 -2.937) 22.357 13.605 ( 5.812 -8.396 0.862) 10.248 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 0.495 0.678 -6.599) 6.652 3.590 ( -4.731 14.504 -3.846) 15.734 4.232 ( -1.850 10.673 5.240) 12.033 4.413 ( -0.147 8.244 -5.054) 9.671 4.876 ( -2.673 1.606 1.156) 3.326 6.112 ( 3.665 -4.533 3.569) 6.836 8.059 ( 7.042 -1.302 -2.580) 7.612 8.655 ( -11.699 20.979 2.357) 24.136 9.096 ( 8.480 3.420 2.745) 9.547 9.514 ( -9.852 -6.965 1.570) 12.168 10.016 ( -4.184 -0.151 -6.394) 7.643 13.645 ( 9.108 -10.766 1.729) 14.208 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -1.710 1.106 -5.687) 6.040 3.593 ( -9.526 13.249 -4.341) 16.886 4.275 ( -3.860 6.167 0.484) 7.292 4.463 ( -4.768 10.279 -0.185) 11.333 4.815 ( -3.375 -2.180 0.491) 4.048 6.102 ( 0.344 -7.301 3.792) 8.235 8.095 ( 1.628 -5.350 -2.856) 6.279 8.631 ( -12.685 15.099 2.881) 19.930 9.316 ( -4.798 -1.982 -2.471) 5.749 9.385 ( 13.995 10.723 6.446) 18.773 9.939 ( -3.819 -0.786 -6.395) 7.490 13.712 ( 10.345 -10.507 1.116) 14.787 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 0.000 3.524 8.340) 9.054 2.444 ( -0.000 17.721 5.657) 18.602 3.006 ( -0.000 7.268 -5.348) 9.023 3.858 ( -0.000 16.871 -2.192) 17.013 4.255 ( -0.000 27.116 -0.837) 27.129 5.326 ( -0.000 12.966 -1.463) 13.049 7.276 ( -0.000 11.394 0.146) 11.395 8.124 ( 0.000 -7.957 1.251) 8.055 9.528 ( -0.000 -5.370 -16.544) 17.394 9.578 ( 0.000 -2.917 0.181) 2.923 11.875 ( 0.000 -34.726 15.734) 38.124 13.954 ( -0.000 7.469 -14.822) 16.598 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 1.382 2.181 5.160) 5.770 2.716 ( 9.974 13.823 5.407) 17.883 3.128 ( 6.824 10.207 -5.383) 13.406 4.021 ( 2.863 11.127 -0.868) 11.522 4.493 ( 1.332 18.979 -2.837) 19.236 5.487 ( 1.126 18.047 0.108) 18.083 7.490 ( 12.276 10.932 0.073) 16.439 8.033 ( -3.425 -4.087 -1.151) 5.455 9.340 ( -6.661 -4.758 -8.153) 11.554 9.597 ( 1.740 -2.473 -3.314) 4.486 11.552 ( -2.040 -36.854 13.580) 39.330 13.932 ( -5.488 6.503 -12.159) 14.841 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 2.988 1.409 2.804) 4.333 3.039 ( 11.853 8.459 3.832) 15.058 3.422 ( 13.339 16.571 -3.859) 21.620 4.159 ( 4.161 4.814 -0.664) 6.397 4.657 ( 0.772 12.586 -2.292) 12.816 5.707 ( 2.767 17.776 0.792) 18.007 7.873 ( 10.172 8.623 0.843) 13.362 7.958 ( 5.770 3.699 -2.556) 7.315 9.173 ( -4.960 -4.029 -5.026) 8.130 9.566 ( -2.275 0.153 -2.624) 3.477 11.167 ( -4.795 -36.498 9.950) 38.132 13.820 ( -9.229 4.208 -8.679) 13.349 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 3.566 0.995 0.845) 3.797 3.316 ( 10.282 7.882 1.378) 13.028 3.835 ( 12.926 19.430 -0.622) 23.345 4.256 ( 4.559 1.208 -2.722) 5.446 4.768 ( 1.258 7.761 0.341) 7.869 5.909 ( 2.383 12.005 0.902) 12.273 7.859 ( -2.440 2.383 -1.247) 3.632 8.411 ( 19.199 15.424 0.868) 24.642 9.058 ( -2.553 -3.119 -3.904) 5.612 9.527 ( -2.517 3.100 -1.738) 4.355 10.739 ( -8.056 -32.125 5.739) 33.613 13.661 ( -8.727 0.484 -4.819) 9.980 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 2.823 0.927 -1.096) 3.167 3.559 ( 7.173 10.146 -0.401) 12.432 4.175 ( 5.064 12.050 6.074) 14.413 4.343 ( 4.777 6.012 -8.697) 11.602 4.873 ( 3.332 5.622 2.180) 6.890 6.013 ( 0.497 3.135 1.109) 3.363 7.880 ( 1.795 3.426 -0.614) 3.916 8.815 ( 7.453 16.111 3.108) 18.021 8.997 ( -1.069 -1.017 -3.532) 3.828 9.553 ( 2.372 3.674 -1.402) 4.592 10.320 ( -9.557 -22.238 1.611) 24.259 13.518 ( -4.059 -4.119 -1.534) 5.983 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 1.363 1.366 -2.562) 3.207 3.750 ( 1.964 12.684 -2.008) 12.991 4.288 ( 0.991 1.753 2.456) 3.176 4.462 ( 2.166 5.895 -1.426) 6.440 5.006 ( -0.015 12.550 -0.339) 12.554 6.008 ( 1.128 -6.660 1.957) 7.033 7.964 ( 3.964 2.477 -0.780) 4.739 8.953 ( -5.039 3.767 -1.759) 6.532 9.030 ( 4.408 7.643 4.288) 9.810 9.606 ( -2.452 1.955 1.312) 3.400 10.045 ( -4.047 -5.840 -4.059) 8.183 13.442 ( 2.437 -7.715 0.303) 8.097 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -0.261 2.387 -2.844) 3.723 3.848 ( -5.100 13.577 -3.531) 14.926 4.295 ( -0.947 0.152 -3.002) 3.151 4.532 ( 4.289 -3.283 7.306) 9.086 5.055 ( -12.294 17.465 -3.396) 21.627 5.968 ( 4.855 -11.954 3.035) 13.254 8.027 ( 1.738 -0.385 -1.460) 2.302 8.889 ( -6.312 4.011 1.269) 7.585 9.185 ( 8.275 -1.951 1.566) 8.645 9.552 ( -6.986 8.964 4.624) 12.269 9.978 ( -2.939 1.988 -7.112) 7.948 13.452 ( 7.751 -8.354 0.310) 11.400 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 0.000 0.493 4.138) 4.167 2.768 ( -0.000 10.932 4.590) 11.856 3.138 ( -0.000 9.779 -4.873) 10.926 4.096 ( -0.000 8.022 0.021) 8.022 4.646 ( -0.000 15.240 -2.653) 15.469 5.665 ( -0.000 19.134 -0.652) 19.146 7.455 ( -0.000 6.598 -0.705) 6.636 8.034 ( -0.000 -0.505 -2.923) 2.967 9.305 ( -0.000 -7.375 -8.133) 10.979 9.587 ( -0.000 3.430 0.725) 3.506 11.237 ( 0.000 -38.263 11.877) 40.064 14.012 ( -0.000 6.750 -10.267) 12.287 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 1.739 -0.068 3.917) 4.286 2.946 ( 8.131 6.712 3.490) 11.106 3.324 ( 11.026 12.109 -3.744) 16.800 4.168 ( 0.932 4.384 0.921) 4.576 4.768 ( -0.388 11.459 -2.250) 11.684 5.850 ( 0.967 16.764 -1.201) 16.835 7.650 ( 16.118 5.480 -0.699) 17.038 8.003 ( -3.456 2.646 -3.506) 5.589 9.189 ( -3.230 -4.813 -4.229) 7.176 9.624 ( -1.452 5.303 0.070) 5.499 10.881 ( -1.491 -37.637 9.214) 38.777 13.987 ( -6.639 5.704 -8.032) 11.880 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 3.040 0.127 3.859) 4.915 3.186 ( 11.845 4.926 2.291) 13.031 3.709 ( 18.808 13.758 -2.673) 23.455 4.221 ( 1.207 1.761 1.461) 2.587 4.842 ( -1.116 7.279 -1.395) 7.495 6.009 ( 0.735 12.216 -1.247) 12.302 7.953 ( -4.787 4.766 -2.104) 7.075 8.089 ( 26.913 6.229 -1.330) 27.657 9.084 ( -3.759 -1.712 -2.159) 4.661 9.638 ( -3.734 6.492 -0.324) 7.496 10.514 ( -2.504 -34.036 6.687) 34.777 13.851 ( -11.513 3.707 -5.615) 13.334 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 3.054 0.536 2.984) 4.303 3.459 ( 12.820 5.542 1.629) 14.061 4.169 ( 16.363 14.304 -0.763) 21.747 4.260 ( 2.849 0.468 -0.683) 2.967 4.876 ( 0.393 2.724 0.372) 2.777 6.087 ( -2.471 6.143 -1.193) 6.728 7.929 ( -2.725 5.145 -0.663) 5.860 8.626 ( 25.764 6.630 -1.244) 26.633 9.020 ( -2.553 1.900 -2.067) 3.794 9.624 ( -3.957 4.718 -0.713) 6.199 10.189 ( -2.491 -25.215 5.357) 25.898 13.648 ( -12.474 1.017 -3.148) 12.906 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 2.229 1.150 1.426) 2.885 3.734 ( 10.942 7.194 1.028) 13.136 4.282 ( 1.248 0.102 3.084) 3.328 4.484 ( 3.009 7.987 -5.320) 10.058 4.994 ( 11.334 4.907 2.065) 12.522 6.023 ( -7.257 -1.568 -1.074) 7.501 7.959 ( 0.507 4.209 0.278) 4.248 8.939 ( 5.321 -1.261 1.064) 5.571 9.068 ( 2.835 7.431 -3.337) 8.625 9.623 ( 2.652 1.063 -2.179) 3.593 10.002 ( -0.470 -9.388 4.623) 10.475 13.449 ( -8.723 -1.618 -1.028) 8.931 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 1.285 2.225 -0.000) 2.570 3.964 ( 5.304 9.186 -0.000) 10.607 4.320 ( 0.986 1.708 0.000) 1.973 4.451 ( -3.165 -5.482 -0.000) 6.331 5.309 ( 8.771 15.192 -0.000) 17.542 5.816 ( -7.076 -12.256 -0.000) 14.152 8.010 ( 1.169 2.025 -0.000) 2.338 8.979 ( 0.508 0.879 -0.000) 1.015 9.081 ( -1.030 -1.783 0.000) 2.059 9.672 ( -0.004 -0.007 -0.000) 0.008 10.014 ( 2.252 3.900 0.000) 4.503 13.335 ( -1.413 -2.448 -0.000) 2.826 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 0.000 -0.489 5.806) 5.827 2.940 ( 0.000 4.678 2.840) 5.472 3.319 ( -0.000 10.151 -2.924) 10.563 4.203 ( 0.000 2.947 1.948) 3.533 4.870 ( -0.000 9.265 -2.233) 9.531 5.986 ( -0.000 13.443 -2.443) 13.663 7.534 ( -0.000 2.316 -0.528) 2.376 8.067 ( -0.000 5.797 -3.090) 6.569 9.165 ( -0.000 -2.777 -2.591) 3.798 9.701 ( -0.000 6.773 0.379) 6.784 10.550 ( 0.000 -36.490 6.939) 37.144 14.080 ( -0.000 5.631 -6.695) 8.748 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 1.724 -0.045 7.522) 7.717 3.057 ( 7.860 3.086 2.392) 8.776 3.521 ( 13.236 9.074 -2.312) 16.214 4.237 ( 0.226 1.922 2.847) 3.442 4.928 ( -1.426 6.131 -2.317) 6.708 6.100 ( 0.684 9.721 -2.597) 10.085 7.715 ( 18.390 2.036 -0.620) 18.513 8.090 ( -4.121 7.511 -1.139) 8.643 9.126 ( -2.270 0.624 -1.589) 2.840 9.750 ( -2.045 5.898 -0.237) 6.247 10.221 ( -0.041 -32.426 4.903) 32.794 14.046 ( -7.461 4.602 -5.234) 10.209 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 2.464 0.354 7.404) 7.811 3.276 ( 12.986 2.598 2.551) 13.487 3.908 ( 21.815 7.865 -2.955) 23.377 4.268 ( 0.141 1.618 3.930) 4.252 4.925 ( -2.841 2.303 -2.093) 4.214 6.172 ( -0.812 5.707 -2.502) 6.284 8.057 ( -2.351 5.626 -0.641) 6.131 8.178 ( 25.859 4.264 0.128) 26.209 9.098 ( -3.005 4.593 -1.722) 5.752 9.706 ( -4.804 -5.153 -1.490) 7.201 9.991 ( 1.730 -16.946 5.237) 17.821 13.890 ( -13.021 3.264 -3.640) 13.908 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 2.356 0.515 5.469) 5.977 3.556 ( 15.072 2.578 3.011) 15.585 4.267 ( 4.319 0.918 -0.972) 4.521 4.383 ( 15.634 7.295 0.145) 17.253 4.883 ( 0.139 -1.910 -0.090) 1.918 6.145 ( -5.935 1.214 -2.792) 6.670 8.037 ( -4.112 4.598 1.797) 6.425 8.677 ( 23.638 0.249 -1.844) 23.711 9.128 ( -0.329 10.829 -3.532) 11.396 9.529 ( -0.781 -13.103 -1.362) 13.196 9.951 ( 0.983 -3.483 6.550) 7.484 13.663 ( -14.680 2.238 -1.899) 14.970 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 0.000 0.412 11.042) 11.050 3.017 ( 0.000 1.741 2.179) 2.789 3.470 ( -0.000 6.163 -1.759) 6.409 4.265 ( 0.000 1.928 3.722) 4.192 4.984 ( -0.000 3.934 -2.937) 4.910 6.166 ( -0.000 6.806 -2.797) 7.358 7.561 ( 0.000 0.859 0.387) 0.942 8.214 ( -0.000 9.147 1.517) 9.272 9.161 ( -0.000 3.650 -1.818) 4.078 9.822 ( -0.000 4.663 -0.531) 4.693 9.921 ( 0.000 -28.968 2.166) 29.049 14.140 ( -0.000 4.052 -4.582) 6.117 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 0.866 0.460 11.884) 11.925 3.111 ( 8.397 0.809 2.537) 8.809 3.637 ( 13.981 3.799 -1.813) 14.601 4.300 ( 0.024 2.286 4.679) 5.208 4.980 ( -2.169 1.139 -3.432) 4.217 6.213 ( 0.170 3.568 -2.764) 4.517 7.740 ( 18.777 0.921 -0.005) 18.799 8.268 ( -5.109 8.466 4.499) 10.864 9.190 ( -1.651 6.855 -2.446) 7.463 9.639 ( -2.961 -19.517 -0.654) 19.751 9.880 ( 2.552 -0.226 0.782) 2.679 14.094 ( -7.658 3.169 -3.775) 9.107 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 1.194 -0.292 9.465) 9.544 3.323 ( 14.001 -0.023 3.514) 14.435 3.978 ( 22.110 1.318 -2.978) 22.348 4.344 ( 0.403 2.703 5.931) 6.530 4.911 ( -4.073 -1.652 -3.508) 5.623 6.207 ( -2.060 -0.388 -3.295) 3.905 8.115 ( 13.429 0.342 -0.145) 13.434 8.287 ( 7.069 4.112 3.680) 8.968 9.236 ( -0.657 9.431 -3.195) 9.979 9.433 ( -3.244 -9.993 -0.871) 10.542 9.920 ( 2.155 -1.523 3.154) 4.112 13.929 ( -13.077 2.789 -2.638) 13.629 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 0.000 0.106 14.456) 14.456 3.043 ( 0.000 -0.607 2.162) 2.245 3.530 ( -0.000 0.966 -1.369) 1.675 4.345 ( 0.000 3.228 5.786) 6.625 4.988 ( -0.000 -0.959 -4.285) 4.391 6.223 ( -0.000 0.515 -2.888) 2.933 7.582 ( 0.000 0.795 1.129) 1.381 8.416 ( 0.000 6.213 7.781) 9.957 9.265 ( -0.000 6.403 -2.788) 6.983 9.497 ( 0.000 -9.774 -1.911) 9.959 9.858 ( -0.000 -0.630 -1.212) 1.366 14.176 ( -0.000 2.395 -3.783) 4.478 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -0.576 -1.498 12.594) 12.696 3.121 ( 9.117 -1.873 2.961) 9.767 3.647 ( 13.893 -1.620 -1.588) 14.077 4.400 ( -0.346 3.823 7.079) 8.052 4.932 ( -2.362 -2.918 -4.946) 6.210 6.195 ( -0.462 -3.717 -3.618) 5.207 7.752 ( 17.545 0.028 0.366) 17.549 8.413 ( -6.272 -0.773 7.319) 9.670 9.289 ( -1.037 2.341 -0.097) 2.563 9.478 ( -1.806 10.362 -4.051) 11.272 9.861 ( 2.723 -2.894 0.281) 3.984 14.121 ( -7.168 2.095 -3.437) 8.221 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 0.000 -3.550 13.280) 13.747 3.015 ( 0.000 -3.895 2.029) 4.392 3.493 ( 0.000 -3.632 -1.262) 3.845 4.471 ( 0.000 3.921 8.678) 9.523 4.898 ( -0.000 -4.016 -5.791) 7.047 6.126 ( -0.000 -8.354 -4.453) 9.467 7.601 ( 0.000 -0.007 1.055) 1.055 8.442 ( 0.000 -9.322 5.327) 10.737 9.381 ( -0.000 12.063 4.507) 12.877 9.627 ( -0.000 18.675 -4.723) 19.263 9.787 ( 0.000 -5.334 -1.131) 5.452 14.188 ( -0.000 1.694 -4.025) 4.366 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 -0.000 19.146) 19.146 0.908 ( 0.000 -0.000 19.146) 19.146 1.799 ( 0.000 -0.000 39.734) 39.734 2.736 ( -0.000 0.000 -4.319) 4.319 2.736 ( -0.000 0.000 -4.319) 4.319 6.065 ( -0.000 0.000 -15.661) 15.661 6.603 ( 0.000 -0.000 2.015) 2.015 6.603 ( 0.000 -0.000 2.015) 2.015 10.008 ( -0.000 0.000 -1.248) 1.248 10.008 ( -0.000 0.000 -1.248) 1.248 13.094 ( 0.000 -0.000 3.947) 3.947 13.459 ( -0.000 0.000 -2.192) 2.192 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 13.774 7.952 15.317) 22.081 1.358 ( 23.661 13.660 17.332) 32.355 2.038 ( 12.696 7.330 28.990) 32.486 2.725 ( 1.101 0.636 -4.488) 4.665 2.871 ( 11.702 6.756 -3.245) 13.897 5.499 ( -16.540 -9.549 -4.108) 19.536 6.663 ( 4.324 2.497 1.915) 5.348 7.770 ( 58.694 33.887 -21.571) 71.124 9.711 ( -21.282 -12.287 -3.026) 24.760 9.965 ( -3.438 -1.985 -1.242) 4.160 13.045 ( -5.467 -3.156 5.955) 8.678 13.633 ( 11.973 6.913 -11.072) 17.712 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 19.334 11.162 10.566) 24.699 1.789 ( 8.693 5.019 22.313) 24.466 2.673 ( 34.980 20.196 7.895) 41.156 2.755 ( 2.704 1.561 -4.502) 5.479 3.216 ( 18.203 10.510 -0.687) 21.031 5.251 ( -5.902 -3.408 -6.059) 9.119 6.809 ( 7.770 4.486 1.648) 9.122 8.591 ( 7.405 4.275 -1.174) 8.631 9.329 ( 2.206 1.274 -21.338) 21.490 9.853 ( -5.698 -3.290 -1.200) 6.688 12.906 ( -8.890 -5.132 11.290) 15.259 13.761 ( 2.563 1.479 -18.779) 19.010 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 7.217 4.167 15.255) 17.382 2.060 ( 20.126 11.620 7.454) 24.405 2.815 ( 3.791 2.189 -4.469) 6.256 3.517 ( 34.500 19.918 1.441) 39.863 3.664 ( 20.733 11.970 -0.821) 23.955 5.149 ( -1.359 -0.785 -4.616) 4.876 7.020 ( 9.841 5.682 1.297) 11.437 8.329 ( -17.706 -10.223 4.567) 20.949 9.536 ( 10.832 6.254 -21.172) 24.591 9.715 ( -5.531 -3.193 -1.080) 6.478 12.691 ( -15.213 -8.783 14.945) 23.064 13.673 ( -2.305 -1.331 -19.286) 19.468 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 8.709 5.028 6.521) 11.986 2.525 ( 18.196 10.506 5.784) 21.793 2.894 ( 4.305 2.486 -4.633) 6.795 4.086 ( 16.922 9.770 6.186) 20.496 4.199 ( 22.120 12.771 -12.363) 28.377 5.200 ( 7.733 4.464 2.163) 9.187 7.248 ( 9.326 5.384 0.848) 10.802 8.015 ( -9.689 -5.594 2.332) 11.428 9.564 ( -2.259 -1.304 -15.210) 15.432 9.615 ( -2.458 -1.419 -0.775) 2.942 12.239 ( -27.970 -16.148 8.392) 33.369 13.629 ( 3.447 1.990 -9.330) 10.143 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 8.592 4.961 -1.582) 10.047 2.909 ( 11.732 6.774 5.925) 14.786 2.987 ( 7.010 4.047 -5.830) 9.975 4.373 ( 5.714 3.299 -6.494) 9.258 4.515 ( 12.026 6.943 -1.740) 13.995 5.514 ( 15.987 9.230 6.030) 19.421 7.432 ( 6.233 3.598 0.218) 7.200 7.918 ( 0.733 0.423 0.821) 1.179 9.394 ( -7.421 -4.285 -10.402) 13.477 9.610 ( 2.174 1.255 -0.189) 2.517 11.511 ( -35.553 -20.526 1.134) 41.069 13.744 ( 6.931 4.002 -0.230) 8.007 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 6.528 3.769 -8.878) 11.646 3.027 ( 2.793 1.613 -1.914) 3.750 3.239 ( 10.595 6.117 1.431) 12.318 4.387 ( 0.171 0.099 -8.900) 8.902 4.760 ( 8.107 4.680 4.260) 10.284 5.868 ( 12.314 7.110 4.912) 15.044 7.534 ( 2.933 1.693 -0.498) 3.423 8.037 ( 9.045 5.222 -1.328) 10.529 9.210 ( -5.461 -3.153 -5.137) 8.134 9.698 ( 4.874 2.814 0.543) 5.655 10.685 ( -35.198 -20.321 -1.291) 40.663 13.908 ( 6.442 3.719 3.434) 8.193 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 3.265 1.885 -14.191) 14.683 3.067 ( 1.294 0.747 -2.523) 2.932 3.433 ( 5.793 3.345 1.753) 6.915 4.372 ( 1.162 0.671 -6.340) 6.480 4.904 ( 3.182 1.837 4.687) 5.956 6.098 ( 6.526 3.768 3.805) 8.442 7.576 ( 1.270 0.733 -1.033) 1.794 8.282 ( 12.309 7.107 -4.995) 15.066 9.141 ( 0.601 0.347 0.002) 0.694 9.805 ( 3.530 2.038 1.110) 4.224 9.945 ( -28.077 -16.210 -0.181) 32.421 14.046 ( 4.317 2.493 4.328) 6.602 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -0.125 -0.072 -15.725) 15.726 3.067 ( -0.635 -0.367 -2.480) 2.586 3.515 ( 0.971 0.560 1.624) 1.974 4.406 ( 3.531 2.038 -6.174) 7.399 4.941 ( -1.185 -0.684 5.076) 5.257 6.190 ( 0.266 0.153 3.599) 3.612 7.594 ( 0.752 0.434 -1.232) 1.507 8.501 ( 6.503 3.754 -9.029) 11.743 9.234 ( 5.851 3.378 3.221) 7.484 9.478 ( -9.585 -5.534 1.903) 11.230 9.845 ( -0.598 -0.345 1.324) 1.493 14.134 ( 2.257 1.303 4.356) 5.076 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.000 14.839 14.236) 20.563 1.419 ( 0.000 29.695 16.551) 33.996 2.132 ( 0.000 11.049 27.445) 29.586 2.745 ( -0.000 2.965 -4.603) 5.475 2.822 ( -0.000 11.732 -2.557) 12.007 5.485 ( 0.000 -18.901 -5.148) 19.589 6.659 ( -0.000 4.646 1.955) 5.041 7.693 ( -0.000 63.579 -17.646) 65.983 9.757 ( 0.000 -18.347 -4.555) 18.904 9.953 ( 0.000 -4.393 -1.156) 4.543 13.053 ( 0.000 -7.623 6.210) 9.832 13.588 ( -0.000 11.414 -9.618) 14.926 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 11.044 18.221 10.890) 23.928 1.816 ( 6.238 14.170 21.723) 26.676 2.492 ( 15.906 26.437 8.533) 32.012 2.757 ( -0.026 4.999 -4.185) 6.520 3.071 ( 11.858 14.639 0.550) 18.847 5.276 ( -4.582 -7.165 -6.143) 10.491 6.769 ( 4.761 7.289 1.780) 8.886 8.391 ( 20.171 25.939 -8.070) 33.835 9.410 ( -14.186 -7.573 -13.326) 20.885 9.885 ( -2.202 -4.662 -1.659) 5.416 12.956 ( -3.030 -11.186 10.073) 15.355 13.690 ( 2.905 6.480 -15.881) 17.397 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 14.578 19.554 8.008) 25.671 2.038 ( 3.039 5.899 18.123) 19.300 2.798 ( 1.569 5.841 -4.529) 7.556 3.208 ( 27.908 29.776 -2.414) 40.882 3.476 ( 16.470 14.705 3.677) 22.383 5.155 ( -2.270 -1.342 -5.547) 6.142 6.968 ( 7.080 10.692 1.614) 12.925 8.486 ( -10.989 -14.527 6.369) 19.297 9.339 ( 7.851 9.516 -20.674) 24.075 9.787 ( -4.168 -1.492 -3.292) 5.517 12.794 ( -6.123 -15.594 14.469) 22.137 13.665 ( -3.113 2.635 -19.384) 19.809 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 4.762 5.466 9.860) 12.238 2.424 ( 14.114 19.647 6.212) 24.976 2.878 ( 1.893 6.987 -4.316) 8.428 3.900 ( 21.729 15.055 -7.297) 27.424 3.935 ( 19.548 18.112 3.389) 26.864 5.155 ( 3.187 4.245 -0.881) 5.381 7.219 ( 6.781 13.794 1.495) 15.443 8.138 ( -12.335 -10.736 3.423) 16.707 9.432 ( 4.823 -3.958 -11.526) 13.106 9.695 ( -4.936 0.523 -5.235) 7.214 12.468 ( -16.712 -22.107 10.747) 29.724 13.591 ( -0.576 3.700 -12.870) 13.404 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 6.081 5.069 2.015) 8.169 2.852 ( 11.093 17.587 6.024) 21.648 2.971 ( 1.848 9.008 -5.204) 10.566 4.256 ( 10.531 5.718 -6.239) 13.510 4.371 ( 13.569 10.937 -1.652) 17.506 5.383 ( 12.859 11.040 4.742) 17.599 7.460 ( 3.076 15.518 1.241) 15.869 7.928 ( -3.904 -4.486 2.002) 6.275 9.380 ( -0.696 -6.457 -9.702) 11.675 9.604 ( -2.051 -0.846 -2.111) 3.063 11.854 ( -28.844 -24.659 2.114) 38.007 13.652 ( 6.074 2.643 -2.241) 6.993 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 5.570 3.552 -5.157) 8.380 3.046 ( 0.525 7.894 -1.754) 8.104 3.218 ( 7.050 17.915 1.862) 19.342 4.346 ( 1.882 1.026 -9.523) 9.761 4.667 ( 10.146 6.239 3.803) 12.504 5.750 ( 13.196 10.119 5.031) 17.374 7.625 ( -2.373 15.796 0.715) 15.989 7.930 ( 5.721 0.146 0.590) 5.754 9.234 ( -4.341 -5.611 -6.604) 9.692 9.631 ( 4.860 0.773 -0.034) 4.922 11.067 ( -33.631 -22.683 -2.088) 40.619 13.800 ( 8.727 -0.199 2.924) 9.206 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 3.656 1.567 -10.850) 11.556 3.111 ( -1.431 8.362 -2.793) 8.932 3.473 ( 2.086 15.929 2.268) 16.224 4.340 ( 0.726 0.639 -7.001) 7.067 4.859 ( 5.771 2.171 4.323) 7.531 6.031 ( 8.328 5.974 4.079) 11.031 7.706 ( -6.126 15.795 0.146) 16.942 8.101 ( 11.875 2.216 -2.080) 12.257 9.128 ( -0.633 -2.652 -1.809) 3.272 9.739 ( 5.165 0.314 0.956) 5.262 10.297 ( -30.495 -16.477 -2.549) 34.756 13.947 ( 8.374 -2.792 4.242) 9.794 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 1.270 -0.120 -13.576) 13.636 3.140 ( -3.665 8.078 -3.151) 9.414 3.617 ( -3.302 13.743 2.077) 14.286 4.353 ( 2.219 1.386 -5.756) 6.322 4.941 ( 1.730 -1.284 4.416) 4.913 6.181 ( 3.140 1.899 3.440) 5.030 7.741 ( -7.926 16.004 -0.268) 17.861 8.321 ( 12.117 0.506 -6.001) 13.531 9.167 ( 5.732 1.494 2.176) 6.311 9.628 ( -15.137 -12.733 1.562) 19.842 9.889 ( -3.613 2.920 -0.921) 4.736 14.054 ( 6.767 -4.532 4.081) 9.110 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.000 19.948 9.333) 22.024 1.986 ( 0.000 11.189 22.189) 24.850 2.684 ( -0.000 35.627 0.137) 35.627 2.789 ( -0.000 4.618 -4.956) 6.774 3.151 ( -0.000 20.267 4.570) 20.776 5.224 ( -0.000 -5.472 -6.367) 8.396 6.811 ( -0.000 9.331 1.634) 9.473 8.447 ( -0.000 14.139 0.544) 14.150 9.440 ( -0.000 0.270 -21.061) 21.062 9.829 ( 0.000 -7.119 -0.825) 7.166 12.878 ( 0.000 -16.328 12.197) 20.381 13.691 ( -0.000 8.020 -16.416) 18.270 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 10.873 20.450 7.568) 24.366 2.134 ( 0.329 5.443 17.601) 18.426 2.829 ( 0.890 6.665 -5.122) 8.453 3.163 ( 13.282 35.139 -6.468) 38.119 3.459 ( 7.914 22.035 7.442) 24.567 5.157 ( -1.248 -0.508 -5.667) 5.825 6.974 ( 5.951 11.950 1.475) 13.431 8.469 ( -2.359 -13.238 7.056) 15.185 9.360 ( -4.638 9.962 -20.761) 23.489 9.775 ( 1.024 -4.460 -3.418) 5.711 12.722 ( -1.928 -21.492 15.083) 26.327 13.694 ( -2.085 6.600 -18.434) 19.691 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 1.817 4.768 10.207) 11.411 2.418 ( 13.921 20.735 6.933) 25.920 2.914 ( 1.952 8.867 -5.030) 10.379 3.704 ( 17.408 21.087 -6.614) 28.133 3.882 ( 11.840 23.341 4.384) 26.537 5.160 ( 1.276 5.477 -2.509) 6.158 7.250 ( 8.770 16.092 1.656) 18.401 8.219 ( -9.379 -14.004 3.528) 17.220 9.323 ( -0.332 -0.223 -10.609) 10.616 9.727 ( -1.637 -2.444 -5.906) 6.598 12.460 ( -7.101 -27.403 13.694) 31.447 13.637 ( -4.159 6.224 -15.567) 17.273 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 3.401 4.401 4.054) 6.883 2.872 ( 11.947 18.698 7.155) 23.314 3.037 ( 2.154 13.631 -5.864) 14.995 4.101 ( 12.973 9.071 -4.487) 16.453 4.286 ( 10.534 16.122 -1.274) 19.301 5.329 ( 8.305 12.557 2.246) 15.222 7.578 ( 6.674 20.343 2.068) 21.509 7.973 ( -6.864 -7.157 1.696) 10.061 9.270 ( 1.223 -5.637 -7.273) 9.282 9.626 ( -3.620 -3.775 -4.286) 6.762 11.998 ( -17.479 -29.843 6.257) 35.147 13.610 ( 0.029 3.786 -6.783) 7.768 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 3.726 3.408 -1.540) 5.279 3.123 ( 1.767 10.419 -0.248) 10.571 3.321 ( 7.122 23.805 1.279) 24.880 4.279 ( 4.462 2.581 -7.861) 9.400 4.580 ( 9.337 9.204 2.351) 13.320 5.658 ( 11.916 12.680 3.813) 17.814 7.850 ( 2.221 8.308 1.795) 8.785 7.887 ( -2.160 12.926 1.705) 13.216 9.194 ( -0.733 -6.506 -6.545) 9.257 9.560 ( 1.988 -2.001 -1.314) 3.111 11.339 ( -26.203 -26.965 -0.333) 37.601 13.663 ( 5.532 -1.285 0.289) 5.686 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 2.605 2.124 -6.279) 7.122 3.234 ( -1.152 12.084 -2.285) 12.352 3.649 ( 2.575 23.015 3.054) 23.359 4.310 ( 1.154 1.069 -7.093) 7.266 4.793 ( 6.386 3.918 3.408) 8.231 5.959 ( 9.290 7.441 3.644) 12.448 7.925 ( 6.746 0.051 0.304) 6.753 8.057 ( -6.526 25.094 1.919) 26.000 9.096 ( -0.925 -4.778 -3.284) 5.872 9.638 ( 6.806 -0.188 -0.044) 6.809 10.617 ( -28.194 -20.362 -3.310) 34.935 13.759 ( 8.678 -5.899 3.125) 10.948 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 0.857 1.216 -9.225) 9.344 3.305 ( -4.004 12.697 -3.170) 13.686 3.876 ( -3.549 21.828 3.507) 22.391 4.318 ( 1.289 1.347 -5.863) 6.152 4.898 ( 2.928 -0.774 3.243) 4.438 6.142 ( 5.243 2.240 3.377) 6.627 8.056 ( 3.959 4.834 -0.405) 6.261 8.181 ( -4.841 20.326 -0.286) 20.896 9.086 ( 4.379 -0.968 0.657) 4.533 9.689 ( -2.690 -7.118 1.949) 7.855 10.042 ( -16.177 -6.109 -4.870) 17.965 13.854 ( 9.456 -8.812 3.427) 13.372 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -0.000 20.375 6.545) 21.400 2.227 ( 0.000 3.134 13.518) 13.877 2.859 ( -0.000 5.830 -5.324) 7.895 3.376 ( -0.000 32.210 -6.666) 32.892 3.676 ( -0.000 28.182 7.038) 29.048 5.159 ( -0.000 3.043 -4.873) 5.745 7.037 ( -0.000 12.099 0.858) 12.129 8.375 ( 0.000 -14.922 5.965) 16.070 9.449 ( -0.000 8.346 -20.907) 22.511 9.681 ( 0.000 -6.829 -0.206) 6.832 12.550 ( 0.000 -26.813 16.226) 31.340 13.732 ( -0.000 8.625 -17.754) 19.738 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 0.411 3.156 8.053) 8.659 2.406 ( 11.210 18.606 6.341) 22.629 2.933 ( 3.226 7.639 -5.572) 9.990 3.698 ( 6.791 22.148 -2.674) 23.320 4.015 ( 4.217 27.309 1.815) 27.692 5.206 ( 0.610 9.065 -2.771) 9.499 7.241 ( 8.776 13.569 0.643) 16.173 8.207 ( -4.319 -13.362 2.246) 14.221 9.363 ( -6.364 0.634 -10.407) 12.215 9.663 ( 2.610 -4.457 -3.815) 6.421 12.292 ( -2.616 -31.899 15.193) 35.429 13.731 ( -3.660 8.621 -15.660) 18.247 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 1.883 2.821 4.043) 5.277 2.833 ( 14.220 15.180 6.716) 21.858 3.090 ( 5.897 13.540 -6.203) 16.019 4.001 ( 8.742 11.748 -0.502) 14.653 4.329 ( 4.817 19.514 -2.188) 20.219 5.364 ( 4.324 15.424 0.088) 16.019 7.596 ( 13.627 16.906 0.990) 21.737 8.011 ( -5.562 -7.797 -0.129) 9.578 9.229 ( -4.234 -3.137 -5.153) 7.370 9.613 ( -1.444 -4.737 -3.686) 6.173 11.917 ( -7.893 -34.699 10.538) 37.113 13.682 ( -5.224 6.440 -10.442) 13.335 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 2.680 2.533 0.814) 3.776 3.151 ( 7.285 9.104 2.219) 11.869 3.409 ( 10.530 22.761 -1.483) 25.123 4.202 ( 5.738 4.010 -2.636) 7.480 4.564 ( 5.257 12.484 -0.474) 13.554 5.634 ( 7.707 15.390 1.522) 17.279 7.853 ( -1.967 -1.415 0.334) 2.446 8.044 ( 10.247 20.174 1.085) 22.653 9.126 ( -1.556 -4.798 -3.986) 6.428 9.526 ( -1.735 -3.073 -2.050) 4.081 11.406 ( -15.112 -32.667 4.191) 36.236 13.627 ( -2.527 1.515 -4.024) 4.987 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 2.071 2.077 -2.121) 3.619 3.339 ( 3.021 11.460 -0.810) 11.879 3.806 ( 7.921 23.009 2.327) 24.445 4.275 ( 1.968 1.506 -4.833) 5.432 4.756 ( 5.069 7.007 1.683) 8.811 5.898 ( 7.483 8.900 1.898) 11.782 7.842 ( 2.324 0.099 0.330) 2.349 8.394 ( 1.488 25.356 2.520) 25.524 9.049 ( -0.652 -4.618 -3.073) 5.585 9.522 ( 4.544 -0.611 -0.998) 4.693 10.806 ( -20.479 -25.908 -0.767) 33.034 13.605 ( 2.380 -4.491 0.451) 5.102 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 0.677 1.920 -4.486) 4.927 3.478 ( -0.937 13.617 -2.112) 13.812 4.130 ( 2.188 20.978 5.666) 21.839 4.294 ( 1.169 2.004 -6.259) 6.675 4.872 ( 1.786 2.993 1.228) 3.695 6.069 ( 5.852 1.177 2.328) 6.408 7.927 ( 6.322 0.770 -0.248) 6.373 8.606 ( -7.324 26.058 2.708) 27.202 9.011 ( 2.190 -2.267 -0.208) 3.159 9.620 ( 5.153 -1.502 0.169) 5.370 10.237 ( -18.998 -14.757 -4.293) 24.436 13.621 ( 6.747 -9.257 2.172) 11.658 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 0.000 1.442 5.276) 5.470 2.501 ( -0.000 17.429 5.615) 18.311 2.950 ( -0.000 7.250 -5.755) 9.257 3.849 ( -0.000 18.165 0.753) 18.180 4.246 ( -0.000 24.429 -1.150) 24.456 5.307 ( -0.000 14.497 -2.168) 14.659 7.275 ( -0.000 10.976 -0.200) 10.978 8.129 ( 0.000 -10.064 -0.429) 10.074 9.393 ( -0.000 -2.842 -10.090) 10.483 9.582 ( 0.000 -2.672 0.525) 2.723 12.028 ( 0.000 -35.882 14.566) 38.726 13.808 ( -0.000 9.537 -14.038) 16.971 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 1.020 1.315 3.341) 3.732 2.773 ( 10.150 13.105 5.834) 17.573 3.070 ( 6.778 10.742 -6.083) 14.083 4.029 ( 2.681 11.247 2.599) 11.851 4.465 ( 1.153 18.501 -2.961) 18.772 5.481 ( 1.691 18.503 -1.408) 18.634 7.489 ( 12.654 10.589 -0.436) 16.506 8.015 ( -3.297 -5.485 -2.403) 6.836 9.275 ( -4.986 -4.123 -4.298) 7.768 9.579 ( 0.168 -1.133 -0.622) 1.303 11.679 ( -2.828 -38.271 11.733) 40.129 13.815 ( -4.829 8.405 -11.009) 14.669 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 2.175 1.488 2.488) 3.624 3.077 ( 10.891 7.117 3.597) 13.499 3.383 ( 14.492 17.712 -3.892) 23.214 4.167 ( 3.048 4.825 2.449) 6.210 4.633 ( 1.459 13.169 -2.458) 13.476 5.706 ( 3.513 17.395 -0.889) 17.768 7.875 ( 7.949 6.994 -0.402) 10.595 7.932 ( 9.208 4.178 -2.581) 10.436 9.140 ( -4.777 -3.651 -1.396) 6.172 9.550 ( -2.831 1.047 -0.645) 3.086 11.256 ( -6.360 -37.305 7.555) 38.590 13.741 ( -7.800 5.273 -6.937) 11.695 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 2.127 1.611 1.512) 3.067 3.329 ( 9.283 7.845 1.177) 12.211 3.826 ( 14.938 19.449 -1.407) 24.564 4.246 ( 1.979 1.476 0.906) 2.630 4.767 ( 2.580 8.105 -0.603) 8.527 5.911 ( 3.138 11.401 -0.529) 11.837 7.848 ( -1.785 2.087 -0.908) 2.893 8.411 ( 20.550 14.731 -0.901) 25.300 9.036 ( -3.161 -2.765 -0.491) 4.228 9.518 ( -2.783 3.528 -0.172) 4.497 10.785 ( -10.116 -31.801 3.408) 33.544 13.622 ( -6.958 0.543 -2.876) 7.549 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 1.069 1.851 -0.000) 2.137 3.557 ( 6.090 10.549 -0.000) 12.181 4.227 ( 9.848 17.058 0.000) 19.697 4.278 ( 0.522 0.905 -0.000) 1.045 4.884 ( 3.357 5.815 -0.000) 6.714 6.019 ( 1.443 2.500 -0.000) 2.886 7.877 ( 1.938 3.356 -0.000) 3.875 8.832 ( 9.211 15.955 -0.000) 18.423 8.978 ( -0.894 -1.549 -0.000) 1.789 9.546 ( 2.196 3.804 -0.000) 4.393 10.328 ( -12.183 -21.102 -0.000) 24.366 13.511 ( -2.676 -4.636 -0.000) 5.353 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 0.000 0.784 3.562) 3.647 2.817 ( 0.000 9.926 5.201) 11.206 3.086 ( -0.000 10.820 -5.500) 12.138 4.116 ( 0.000 7.637 4.096) 8.666 4.617 ( -0.000 15.515 -3.249) 15.851 5.649 ( -0.000 18.973 -2.482) 19.135 7.448 ( -0.000 6.509 -0.730) 6.550 8.000 ( -0.000 -1.148 -3.668) 3.843 9.253 ( 0.000 -5.971 -2.423) 6.444 9.594 ( -0.000 3.395 0.739) 3.475 11.348 ( 0.000 -40.108 10.225) 41.391 13.911 ( -0.000 8.605 -9.624) 12.910 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 1.287 1.076 4.777) 5.063 2.982 ( 7.793 5.601 3.735) 10.298 3.285 ( 11.298 13.315 -3.967) 17.907 4.196 ( 0.733 3.988 4.545) 6.091 4.742 ( -0.216 11.905 -3.114) 12.307 5.830 ( 1.410 16.437 -2.814) 16.736 7.642 ( 16.030 5.459 -0.882) 16.957 7.969 ( -3.211 2.929 -3.088) 5.331 9.167 ( -2.906 -4.395 -0.231) 5.274 9.627 ( -1.815 5.325 0.317) 5.635 10.965 ( -1.839 -39.282 7.559) 40.045 13.909 ( -6.163 7.126 -7.353) 11.951 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 1.853 1.412 5.403) 5.884 3.210 ( 11.436 4.775 2.445) 12.632 3.680 ( 18.911 13.899 -3.086) 23.672 4.251 ( 0.669 1.813 4.547) 4.941 4.822 ( -0.411 7.501 -2.479) 7.910 5.990 ( 1.299 11.890 -2.568) 12.233 7.934 ( -4.175 5.144 -1.543) 6.802 8.075 ( 26.401 6.501 -1.559) 27.234 9.076 ( -3.748 -2.012 0.584) 4.294 9.637 ( -3.803 6.316 0.081) 7.373 10.574 ( -2.973 -34.682 5.207) 35.196 13.799 ( -10.620 4.488 -4.718) 12.457 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 0.000 1.441 7.903) 8.033 2.971 ( 0.000 3.878 3.152) 4.997 3.289 ( -0.000 11.127 -3.017) 11.529 4.239 ( 0.000 2.500 5.124) 5.701 4.842 ( -0.000 9.493 -3.375) 10.075 5.956 ( -0.000 13.424 -3.634) 13.908 7.531 ( -0.000 2.616 -0.197) 2.623 8.042 ( -0.000 7.055 -1.829) 7.289 9.154 ( 0.000 -2.927 0.279) 2.941 9.703 ( -0.000 6.439 0.065) 6.439 10.613 ( 0.000 -38.438 5.574) 38.840 14.013 ( -0.000 6.897 -6.476) 9.461 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 0.719 1.755 9.921) 10.101 3.083 ( 7.883 2.869 2.762) 8.832 3.497 ( 13.040 9.526 -2.471) 16.337 4.278 ( 0.205 1.687 5.283) 5.550 4.899 ( -1.218 6.147 -3.511) 7.183 6.069 ( 0.899 9.885 -3.481) 10.518 7.709 ( 17.634 2.284 -0.460) 17.787 8.087 ( -3.979 9.393 0.573) 10.217 9.119 ( -2.155 -0.180 0.094) 2.164 9.746 ( -2.179 5.323 -0.572) 5.780 10.265 ( 0.425 -33.807 3.866) 34.030 13.994 ( -7.107 5.498 -5.083) 10.323 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 0.000 2.017 13.619) 13.768 3.041 ( 0.000 1.547 2.533) 2.968 3.451 ( -0.000 6.513 -1.889) 6.781 4.312 ( 0.000 1.887 5.454) 5.771 4.948 ( -0.000 3.799 -4.103) 5.592 6.135 ( -0.000 7.190 -3.410) 7.958 7.567 ( 0.000 1.195 0.765) 1.419 8.239 ( -0.000 11.668 3.505) 12.183 9.146 ( -0.000 2.520 -1.039) 2.726 9.815 ( -0.000 4.345 -0.885) 4.434 9.938 ( 0.000 -30.847 1.227) 30.872 14.092 ( -0.000 4.739 -4.779) 6.730 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 -0.000 15.910) 15.910 1.084 ( 0.000 -0.000 15.910) 15.910 2.170 ( 0.000 -0.000 34.177) 34.177 2.691 ( -0.000 0.000 -4.507) 4.507 2.691 ( -0.000 0.000 -4.507) 4.507 5.904 ( -0.000 0.000 -16.204) 16.204 6.623 ( 0.000 -0.000 1.880) 1.880 6.623 ( 0.000 -0.000 1.880) 1.880 9.996 ( -0.000 0.000 -1.168) 1.168 9.996 ( -0.000 0.000 -1.168) 1.168 13.135 ( 0.000 -0.000 4.183) 4.183 13.435 ( -0.000 0.000 -2.581) 2.581 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 12.065 6.966 12.861) 18.960 1.516 ( 25.937 14.975 14.314) 33.194 2.300 ( 4.492 2.594 22.386) 22.979 2.681 ( 1.128 0.651 -4.171) 4.370 2.847 ( 13.001 7.506 -0.934) 15.041 5.443 ( -16.002 -9.239 -6.837) 19.702 6.681 ( 4.254 2.456 1.605) 5.167 7.597 ( 55.940 32.297 -13.489) 65.987 9.686 ( -23.353 -13.483 -1.922) 27.034 9.953 ( -3.443 -1.988 -1.155) 4.140 13.105 ( -3.744 -2.162 6.126) 7.498 13.536 ( 7.196 4.154 -8.675) 12.012 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 17.934 10.354 8.794) 22.498 2.006 ( 8.053 4.649 20.936) 22.908 2.713 ( 2.707 1.563 -3.660) 4.813 2.714 ( 30.230 17.453 -0.152) 34.906 3.228 ( 18.906 10.915 3.000) 22.036 5.189 ( -5.788 -3.342 -6.097) 9.047 6.824 ( 7.690 4.440 1.290) 8.972 8.581 ( 22.069 12.742 -0.943) 25.501 9.149 ( -11.175 -6.452 -14.400) 19.336 9.841 ( -5.687 -3.284 -1.139) 6.665 13.021 ( -6.332 -3.656 11.633) 13.740 13.583 ( -0.054 -0.031 -16.854) 16.854 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 19.302 11.144 5.685) 23.001 2.168 ( 3.582 2.068 14.089) 14.683 2.777 ( 3.712 2.143 -3.041) 5.255 3.477 ( 33.448 19.311 -7.536) 39.350 3.695 ( 20.035 11.567 5.031) 23.675 5.109 ( 0.418 0.242 -3.156) 3.193 7.032 ( 9.749 5.629 1.065) 11.308 8.381 ( -19.394 -11.197 5.708) 23.110 9.345 ( 13.544 7.820 -16.633) 22.831 9.704 ( -5.469 -3.157 -1.097) 6.409 12.826 ( -16.781 -9.689 11.495) 22.530 13.498 ( 0.568 0.328 -15.040) 15.054 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 5.164 2.982 5.741) 8.277 2.573 ( 17.933 10.354 3.318) 20.972 2.857 ( 4.009 2.315 -2.210) 5.129 4.063 ( 18.597 10.737 -11.496) 24.357 4.156 ( 18.373 10.608 4.624) 21.713 5.225 ( 10.565 6.100 2.783) 12.513 7.257 ( 9.147 5.281 0.864) 10.598 8.045 ( -10.487 -6.055 3.530) 12.614 9.431 ( -0.844 -0.488 -11.138) 11.180 9.606 ( -2.272 -1.312 -0.920) 2.780 12.286 ( -30.803 -17.784 0.800) 35.577 13.572 ( 7.315 4.223 -1.861) 8.649 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 5.267 3.041 -2.082) 6.429 2.929 ( 6.637 3.832 -5.795) 9.608 2.969 ( 11.766 6.793 5.993) 14.849 4.274 ( 5.049 2.915 -10.762) 12.239 4.538 ( 13.618 7.862 4.169) 16.268 5.570 ( 16.096 9.293 5.124) 19.279 7.435 ( 5.919 3.417 0.466) 6.850 7.934 ( -0.182 -0.105 2.385) 2.395 9.306 ( -5.883 -3.397 -7.114) 9.837 9.607 ( 2.508 1.448 -0.447) 2.930 11.497 ( -36.278 -20.945 -3.791) 42.061 13.764 ( 8.262 4.770 4.203) 10.425 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 3.733 2.155 -9.016) 9.994 3.002 ( 2.824 1.630 -2.963) 4.406 3.260 ( 10.362 5.983 2.628) 12.251 4.303 ( 1.306 0.754 -7.635) 7.782 4.803 ( 8.274 4.777 4.248) 10.456 5.915 ( 11.864 6.850 4.426) 14.397 7.530 ( 2.590 1.495 -0.162) 2.995 8.031 ( 7.550 4.359 0.251) 8.721 9.170 ( -3.652 -2.109 -2.849) 5.089 9.702 ( 5.229 3.019 0.258) 6.044 10.660 ( -34.564 -19.956 -3.755) 40.088 13.953 ( 6.542 3.777 5.386) 9.277 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.000 13.062 11.446) 17.367 1.569 ( -0.000 31.943 13.219) 34.571 2.365 ( 0.000 1.721 18.139) 18.221 2.698 ( -0.000 2.848 -4.585) 5.397 2.816 ( -0.000 14.090 2.006) 14.233 5.421 ( 0.000 -17.848 -7.184) 19.239 6.677 ( -0.000 4.618 1.707) 4.923 7.553 ( -0.000 61.641 -10.781) 62.577 9.718 ( 0.000 -22.593 -3.327) 22.836 9.943 ( 0.000 -4.335 -0.902) 4.427 13.116 ( 0.000 -5.319 6.321) 8.262 13.503 ( -0.000 6.657 -7.695) 10.176 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 10.399 16.928 8.534) 21.622 2.021 ( 7.926 17.543 19.173) 27.169 2.532 ( 11.280 16.898 -0.561) 20.325 2.718 ( 0.697 5.238 -3.583) 6.385 3.100 ( 11.685 16.344 4.886) 20.677 5.213 ( -4.508 -7.098 -6.177) 10.434 6.785 ( 4.655 7.330 1.376) 8.792 8.322 ( 24.214 35.981 -5.606) 43.731 9.300 ( -17.123 -17.701 -8.629) 26.096 9.871 ( -2.463 -5.068 -1.123) 5.746 13.059 ( -1.728 -8.336 10.478) 13.501 13.542 ( 0.570 3.213 -13.825) 14.205 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 13.854 19.137 5.743) 24.314 2.209 ( 0.594 2.979 15.436) 15.732 2.759 ( 2.095 5.412 -3.219) 6.636 3.155 ( 26.732 27.710 -7.101) 39.152 3.526 ( 16.312 16.099 5.255) 23.513 5.106 ( -1.269 -0.620 -4.144) 4.378 6.982 ( 6.997 10.876 1.148) 12.983 8.560 ( -12.809 -16.590 8.168) 22.495 9.144 ( 11.119 13.704 -17.571) 24.903 9.763 ( -4.324 -3.237 -1.772) 5.684 12.935 ( -6.380 -15.115 13.352) 21.153 13.483 ( -2.608 3.014 -16.745) 17.213 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 2.226 2.955 7.531) 8.391 2.475 ( 13.299 20.044 3.502) 24.308 2.845 ( 2.211 6.264 -1.857) 6.897 3.805 ( 22.345 18.122 -9.246) 30.219 3.985 ( 16.979 14.130 4.352) 22.514 5.152 ( 5.627 5.716 0.339) 8.028 7.233 ( 6.631 14.123 1.144) 15.645 8.175 ( -12.905 -11.734 3.764) 17.844 9.326 ( 5.724 -1.311 -8.910) 10.671 9.659 ( -4.437 -1.106 -2.366) 5.149 12.541 ( -20.936 -22.648 3.165) 31.004 13.499 ( 4.390 5.034 -4.829) 8.242 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 3.245 3.180 0.859) 4.624 2.880 ( 8.877 18.530 -2.676) 20.720 2.951 ( 3.621 8.077 3.487) 9.514 4.161 ( 9.202 6.658 -10.011) 15.140 4.395 ( 14.648 10.326 3.871) 18.335 5.426 ( 14.025 11.286 3.876) 18.415 7.472 ( 2.709 15.922 1.135) 16.191 7.954 ( -4.207 -5.177 3.061) 7.340 9.298 ( -0.796 -5.686 -6.322) 8.540 9.588 ( -0.732 -0.909 -1.202) 1.676 11.845 ( -31.035 -24.207 -3.805) 39.542 13.658 ( 8.807 2.469 3.468) 9.782 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 2.602 2.426 -5.239) 6.332 3.019 ( 0.386 8.562 -3.363) 9.207 3.247 ( 6.752 17.357 3.584) 18.966 4.258 ( 2.549 1.920 -7.728) 8.361 4.706 ( 10.457 6.066 3.866) 12.692 5.795 ( 13.231 9.753 4.079) 16.936 7.633 ( -2.953 16.267 0.884) 16.557 7.943 ( 4.785 -0.620 2.031) 5.235 9.183 ( -2.978 -4.929 -3.455) 6.716 9.630 ( 5.308 0.918 -0.267) 5.393 11.030 ( -33.773 -22.153 -5.231) 40.728 13.843 ( 9.460 -0.816 5.621) 11.034 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.000 18.864 7.136) 20.168 2.198 ( 0.000 10.320 19.875) 22.394 2.644 ( -0.000 30.738 -7.411) 31.619 2.740 ( -0.000 4.404 -4.648) 6.403 3.215 ( -0.000 21.684 7.111) 22.820 5.162 ( -0.000 -5.244 -5.678) 7.729 6.826 ( -0.000 9.157 1.243) 9.240 8.463 ( -0.000 25.485 2.731) 25.631 9.250 ( -0.000 -10.867 -16.714) 19.936 9.823 ( 0.000 -6.982 -0.427) 6.995 13.003 ( 0.000 -13.292 12.840) 18.481 13.535 ( -0.000 4.922 -14.763) 15.562 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 10.690 20.044 5.520) 23.377 2.288 ( -0.766 1.530 12.565) 12.681 2.780 ( 1.181 6.484 -4.392) 7.920 3.096 ( 13.184 34.584 -6.101) 37.511 3.529 ( 7.391 22.475 5.878) 24.378 5.107 ( -0.761 0.165 -4.244) 4.314 6.986 ( 6.075 11.815 0.929) 13.318 8.549 ( -3.308 -15.882 8.755) 18.434 9.161 ( -1.350 14.423 -18.284) 23.327 9.753 ( -0.281 -5.682 -1.264) 5.827 12.872 ( -2.136 -20.434 14.807) 25.325 13.518 ( -2.252 6.307 -16.465) 17.775 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.892 2.541 5.990) 6.568 2.477 ( 13.356 20.949 4.560) 25.260 2.871 ( 2.444 7.797 -3.380) 8.842 3.645 ( 16.714 23.985 -4.488) 29.577 3.919 ( 10.853 20.054 2.662) 22.957 5.140 ( 2.791 6.627 -1.380) 7.323 7.263 ( 9.033 16.139 0.897) 18.517 8.251 ( -9.960 -15.830 2.592) 18.882 9.231 ( 1.344 2.632 -6.994) 7.593 9.687 ( -1.907 -3.460 -2.436) 4.641 12.576 ( -10.336 -27.612 8.850) 30.783 13.506 ( -0.899 7.330 -9.904) 12.354 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 1.821 2.824 1.766) 3.796 2.932 ( 11.836 23.013 2.836) 26.033 2.988 ( 2.317 9.136 -1.931) 9.621 4.047 ( 10.524 11.099 -5.157) 16.141 4.292 ( 11.695 14.402 1.583) 18.620 5.348 ( 9.828 12.899 1.567) 16.292 7.594 ( 6.910 20.642 1.190) 21.800 7.991 ( -6.440 -8.220 1.729) 10.584 9.212 ( 0.773 -4.901 -3.861) 6.287 9.597 ( -2.916 -3.738 -1.687) 5.032 12.031 ( -21.348 -28.856 0.111) 35.895 13.572 ( 4.010 3.243 -0.531) 5.184 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 1.586 2.698 -2.064) 3.749 3.108 ( 0.630 11.315 -2.523) 11.610 3.346 ( 8.114 23.056 3.313) 24.665 4.209 ( 3.452 3.831 -5.785) 7.750 4.607 ( 10.306 8.638 2.766) 13.728 5.689 ( 12.581 12.219 2.432) 17.706 7.866 ( 2.011 7.463 1.373) 7.850 7.907 ( -1.847 13.455 2.283) 13.772 9.147 ( -0.634 -6.048 -2.769) 6.682 9.550 ( 2.567 -1.980 -0.572) 3.292 11.316 ( -28.150 -25.788 -4.314) 38.420 13.685 ( 7.559 -2.470 4.020) 8.910 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -0.000 20.178 4.795) 20.740 2.332 ( 0.000 -0.076 6.865) 6.865 2.808 ( -0.000 5.485 -4.679) 7.210 3.329 ( -0.000 34.455 -2.358) 34.536 3.732 ( -0.000 25.753 4.010) 26.063 5.116 ( -0.000 3.863 -3.584) 5.270 7.043 ( -0.000 11.748 0.382) 11.755 8.431 ( 0.000 -18.881 4.760) 19.472 9.271 ( -0.000 12.836 -14.012) 19.003 9.681 ( 0.000 -6.610 0.234) 6.615 12.709 ( 0.000 -26.626 15.302) 30.710 13.564 ( -0.000 9.120 -15.596) 18.067 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 0.216 1.610 3.016) 3.425 2.462 ( 11.401 18.791 4.409) 22.417 2.880 ( 3.244 6.936 -4.699) 8.984 3.690 ( 6.424 24.909 1.291) 25.756 4.026 ( 3.654 23.993 0.201) 24.270 5.180 ( 1.304 9.943 -2.261) 10.280 7.245 ( 9.036 13.238 0.011) 16.028 8.220 ( -4.526 -15.707 0.132) 16.346 9.281 ( -4.181 3.487 -5.220) 7.543 9.642 ( 1.176 -4.617 -0.746) 4.822 12.432 ( -4.031 -32.482 12.261) 34.952 13.590 ( -2.447 9.838 -12.142) 15.818 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 1.383 2.179 1.195) 2.844 2.899 ( 14.800 15.650 6.105) 22.388 3.027 ( 5.668 12.800 -6.285) 15.345 4.009 ( 6.994 13.209 2.278) 15.119 4.310 ( 5.256 18.227 -1.851) 19.059 5.360 ( 5.426 15.616 -0.774) 16.550 7.601 ( 14.192 16.647 -0.122) 21.876 8.005 ( -4.951 -9.080 -1.018) 10.392 9.198 ( -4.165 -2.224 -0.950) 4.816 9.592 ( -1.711 -4.361 -0.713) 4.739 12.001 ( -10.924 -34.521 5.935) 36.691 13.599 ( -2.362 6.675 -5.753) 9.123 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 1.506 2.608 -0.000) 3.012 3.163 ( 5.221 9.044 0.000) 10.443 3.402 ( 13.057 22.615 -0.000) 26.114 4.188 ( 3.033 5.252 -0.000) 6.065 4.562 ( 6.920 11.986 -0.000) 13.841 5.642 ( 8.612 14.917 -0.000) 17.224 7.855 ( -1.356 -2.349 -0.000) 2.712 8.050 ( 11.514 19.943 -0.000) 23.028 9.105 ( -2.424 -4.198 -0.000) 4.847 9.516 ( -1.652 -2.862 -0.000) 3.305 11.427 ( -18.170 -31.471 -0.000) 36.340 13.607 ( 0.304 0.526 -0.000) 0.607 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 0.000 1.072 0.851) 1.369 2.553 ( -0.000 17.979 4.484) 18.530 2.895 ( -0.000 6.658 -5.048) 8.355 3.878 ( -0.000 19.512 5.300) 20.219 4.230 ( -0.000 22.371 -2.260) 22.485 5.283 ( -0.000 14.942 -2.708) 15.186 7.272 ( -0.000 10.672 -0.515) 10.684 8.114 ( 0.000 -11.791 -2.496) 12.053 9.331 ( -0.000 -0.885 -2.251) 2.419 9.588 ( 0.000 -2.530 0.786) 2.649 12.161 ( 0.000 -36.963 11.794) 38.799 13.680 ( -0.000 10.895 -11.204) 15.628 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 0.952 2.065 1.064) 2.510 2.831 ( 10.440 13.170 5.763) 17.766 3.007 ( 6.503 10.722 -6.350) 14.056 4.075 ( 2.103 11.372 6.766) 13.399 4.433 ( 1.219 18.063 -3.534) 18.446 5.460 ( 2.255 18.400 -2.764) 18.742 7.482 ( 12.702 10.367 -0.858) 16.418 7.986 ( -2.886 -6.256 -3.219) 7.605 9.259 ( -4.390 -3.495 1.252) 5.749 9.579 ( -0.481 -0.803 0.524) 1.073 11.782 ( -3.984 -39.172 8.548) 40.292 13.718 ( -3.728 9.365 -8.103) 12.933 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 0.000 2.784 2.739) 3.905 2.871 ( 0.000 8.962 5.620) 10.578 3.029 ( -0.000 11.974 -5.890) 13.344 4.178 ( 0.000 6.901 8.111) 10.649 4.580 ( -0.000 15.644 -4.003) 16.148 5.616 ( -0.000 18.766 -3.981) 19.184 7.441 ( -0.000 6.593 -0.646) 6.624 7.964 ( -0.000 -0.986 -3.477) 3.614 9.255 ( 0.000 -5.812 2.812) 6.456 9.601 ( -0.000 3.207 0.640) 3.270 11.439 ( 0.000 -41.462 7.601) 42.153 13.824 ( -0.000 9.658 -7.597) 12.288 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.000 -0.000 11.634) 11.634 1.223 ( 0.000 -0.000 11.634) 11.634 2.474 ( 0.000 -0.000 25.911) 25.911 2.648 ( -0.000 0.000 -3.899) 3.899 2.648 ( -0.000 0.000 -3.899) 3.899 5.750 ( -0.000 0.000 -13.981) 13.981 6.640 ( 0.000 -0.000 1.450) 1.450 6.640 ( 0.000 -0.000 1.450) 1.450 9.985 ( -0.000 0.000 -0.903) 0.903 9.985 ( -0.000 0.000 -0.903) 0.903 13.176 ( 0.000 -0.000 3.892) 3.892 13.409 ( -0.000 0.000 -2.678) 2.678 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 10.966 6.331 8.910) 15.484 1.641 ( 27.763 16.029 10.295) 33.671 2.465 ( -1.987 -1.147 10.114) 10.371 2.645 ( 1.275 0.736 -2.955) 3.301 2.863 ( 14.334 8.276 4.343) 17.112 5.372 ( -14.796 -8.543 -6.786) 18.384 6.695 ( 4.175 2.411 1.041) 4.932 7.494 ( 53.214 30.723 -7.385) 61.888 9.672 ( -24.238 -13.994 -0.951) 28.004 9.943 ( -3.477 -2.007 -0.886) 4.111 13.165 ( -1.903 -1.099 5.748) 6.154 13.457 ( 3.311 1.912 -7.022) 7.996 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 16.905 9.760 5.432) 20.261 2.204 ( 7.631 4.406 18.461) 20.456 2.671 ( 27.032 15.607 -7.848) 32.185 2.685 ( 2.834 1.636 -1.812) 3.740 3.267 ( 19.114 11.036 4.079) 22.445 5.135 ( -5.175 -2.988 -4.388) 7.413 6.835 ( 7.666 4.426 0.727) 8.882 8.568 ( 36.112 20.850 -1.908) 41.743 9.046 ( -24.690 -14.255 -5.836) 29.101 9.831 ( -5.725 -3.306 -0.896) 6.672 13.139 ( -3.764 -2.173 12.081) 12.839 13.422 ( -3.012 -1.739 -15.386) 15.774 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 18.554 10.712 2.344) 21.553 2.291 ( 0.598 0.345 9.971) 9.994 2.759 ( 3.839 2.217 -0.398) 4.451 3.396 ( 32.101 18.534 -7.821) 37.883 3.739 ( 20.433 11.797 3.243) 23.816 5.088 ( 2.151 1.242 -0.990) 2.674 7.040 ( 9.779 5.646 0.664) 11.311 8.435 ( -20.943 -12.091 4.524) 24.602 9.215 ( 15.641 9.030 -8.771) 20.077 9.693 ( -5.483 -3.165 -0.943) 6.400 12.898 ( -21.408 -12.360 1.409) 24.760 13.396 ( 5.967 3.445 -3.791) 7.864 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 2.348 1.356 3.243) 4.228 2.584 ( 16.908 9.762 -1.227) 19.562 2.857 ( 4.627 2.672 2.130) 5.752 3.954 ( 17.883 10.325 -9.573) 22.761 4.200 ( 18.306 10.569 3.748) 21.468 5.254 ( 12.293 7.098 2.953) 14.499 7.265 ( 9.117 5.264 0.748) 10.554 8.082 ( -10.795 -6.232 3.733) 13.011 9.347 ( -0.218 -0.126 -5.240) 5.246 9.597 ( -2.177 -1.257 -0.925) 2.678 12.256 ( -32.225 -18.605 -6.639) 37.797 13.593 ( 9.403 5.429 5.784) 12.302 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.000 12.054 7.327) 14.106 1.679 ( -0.000 33.687 8.379) 34.714 2.484 ( 0.000 -4.466 6.120) 7.576 2.656 ( -0.000 2.578 -3.616) 4.441 2.865 ( -0.000 15.525 6.935) 17.003 5.352 ( 0.000 -16.474 -6.080) 17.560 6.692 ( -0.000 4.625 1.188) 4.775 7.472 ( -0.000 59.756 -5.565) 60.015 9.690 ( 0.000 -25.422 -2.238) 25.521 9.936 ( 0.000 -4.255 -0.502) 4.284 13.177 ( 0.000 -2.709 5.694) 6.305 13.433 ( -0.000 2.762 -6.060) 6.659 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 9.837 16.277 4.766) 19.607 2.195 ( 11.613 24.037 15.107) 30.673 2.492 ( 6.390 7.441 -6.663) 11.857 2.687 ( 1.437 4.722 -2.440) 5.506 3.153 ( 10.760 16.944 4.735) 20.623 5.160 ( -4.150 -6.767 -4.003) 8.891 6.796 ( 4.504 7.404 0.749) 8.699 8.280 ( 26.132 42.365 -2.792) 49.854 9.236 ( -17.983 -25.051 -4.254) 31.129 9.863 ( -2.710 -5.158 -0.582) 5.855 13.165 ( -0.180 -4.826 10.616) 11.663 13.412 ( -1.980 -0.509 -12.135) 12.306 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 13.081 19.028 2.073) 23.183 2.334 ( -1.308 -0.045 8.773) 8.870 2.738 ( 3.152 4.957 -0.772) 5.925 3.086 ( 26.265 28.204 -5.687) 38.957 3.567 ( 15.881 16.521 2.403) 23.042 5.077 ( -0.217 -0.080 -1.560) 1.577 6.991 ( 6.989 11.031 0.498) 13.068 8.634 ( -17.389 -20.488 5.143) 27.361 9.007 ( 16.867 17.936 -8.205) 25.952 9.750 ( -4.473 -3.804 -0.828) 5.930 13.041 ( -10.905 -16.454 5.712) 20.550 13.350 ( 1.786 4.924 -7.460) 9.116 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 0.970 1.237 2.865) 3.268 2.489 ( 11.893 20.001 -0.780) 23.283 2.845 ( 3.222 5.954 1.950) 7.045 3.727 ( 20.571 18.284 -6.018) 28.172 4.017 ( 17.447 14.106 2.049) 22.529 5.161 ( 7.316 6.360 1.427) 9.798 7.242 ( 6.689 14.351 0.616) 15.846 8.208 ( -12.681 -12.255 2.442) 17.803 9.267 ( 5.913 -0.538 -2.461) 6.427 9.643 ( -4.303 -1.642 -0.864) 4.686 12.526 ( -24.669 -21.674 -5.961) 33.374 13.501 ( 8.437 4.550 5.050) 10.835 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -0.000 18.488 3.597) 18.835 2.374 ( 0.000 3.525 13.915) 14.354 2.553 ( -0.000 35.133 -9.122) 36.298 2.700 ( -0.000 4.031 -3.213) 5.155 3.275 ( -0.000 21.616 4.314) 22.042 5.118 ( -0.000 -5.019 -2.993) 5.843 6.835 ( -0.000 9.003 0.652) 9.027 8.499 ( -0.000 37.453 4.098) 37.677 9.110 ( -0.000 -23.291 -11.110) 25.805 9.821 ( 0.000 -6.836 0.043) 6.837 13.135 ( 0.000 -10.088 13.507) 16.858 13.394 ( -0.000 1.677 -13.556) 13.659 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 10.363 20.248 2.121) 22.844 2.368 ( -0.837 -1.736 2.516) 3.169 2.745 ( 1.815 6.077 -2.264) 6.734 3.058 ( 12.668 36.362 -0.642) 38.510 3.569 ( 6.825 22.039 1.957) 23.154 5.077 ( -0.269 0.359 -1.589) 1.651 6.992 ( 6.112 11.680 0.234) 13.185 8.630 ( -6.278 -23.142 5.940) 24.703 9.014 ( 3.259 21.930 -9.455) 24.103 9.746 ( -0.913 -5.912 -0.097) 5.982 13.007 ( -4.081 -20.803 10.955) 23.862 13.375 ( -0.805 7.036 -10.897) 12.996 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 0.908 1.572 -0.000) 1.815 2.501 ( 12.434 21.537 -0.000) 24.869 2.853 ( 3.764 6.520 -0.000) 7.528 3.622 ( 14.872 25.759 -0.000) 29.744 3.933 ( 10.931 18.933 -0.000) 21.862 5.133 ( 3.893 6.743 -0.000) 7.787 7.267 ( 9.277 16.067 -0.000) 18.553 8.265 ( -9.780 -16.939 -0.000) 19.559 9.194 ( 2.146 3.716 -0.000) 4.291 9.675 ( -2.141 -3.709 -0.000) 4.282 12.623 ( -15.149 -26.239 -0.000) 30.298 13.454 ( 3.683 6.380 -0.000) 7.367 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -0.000 20.622 1.652) 20.688 2.355 ( -0.000 -1.114 -2.316) 2.570 2.770 ( -0.000 4.922 -2.637) 5.584 3.335 ( -0.000 36.222 3.711) 36.412 3.754 ( -0.000 24.204 0.323) 24.206 5.091 ( -0.000 3.737 -1.463) 4.014 7.045 ( -0.000 11.464 -0.155) 11.465 8.459 ( 0.000 -23.236 0.229) 23.237 9.183 ( -0.000 17.329 -2.915) 17.572 9.685 ( 0.000 -6.435 0.639) 6.466 12.845 ( 0.000 -27.090 10.837) 29.177 13.432 ( -0.000 9.661 -9.781) 13.748 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 -0.000 6.228) 6.228 1.313 ( 0.000 -0.000 6.228) 6.228 2.617 ( -0.000 0.000 -2.321) 2.321 2.617 ( -0.000 0.000 -2.321) 2.321 2.677 ( 0.000 -0.000 14.295) 14.295 5.636 ( -0.000 0.000 -8.348) 8.348 6.651 ( 0.000 -0.000 0.789) 0.789 6.651 ( 0.000 -0.000 0.789) 0.789 9.978 ( -0.000 0.000 -0.492) 0.492 9.978 ( -0.000 0.000 -0.492) 0.492 13.210 ( 0.000 -0.000 2.672) 2.672 13.384 ( -0.000 0.000 -2.020) 2.020 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 10.340 5.970 3.702) 12.500 1.717 ( 29.267 16.897 4.751) 34.126 2.516 ( -4.475 -2.583 1.390) 5.350 2.625 ( 1.545 0.892 -0.838) 1.971 2.914 ( 13.341 7.702 4.092) 15.939 5.318 ( -13.786 -7.959 -3.432) 16.284 6.701 ( 4.100 2.367 0.307) 4.745 7.444 ( 51.473 29.718 -2.691) 59.496 9.667 ( -24.275 -14.015 0.072) 28.031 9.936 ( -3.534 -2.041 -0.473) 4.108 13.215 ( 0.018 0.010 3.543) 3.543 13.399 ( 0.191 0.111 -4.161) 4.167 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 16.243 9.378 0.936) 18.779 2.369 ( 3.329 1.922 13.414) 13.954 2.571 ( 29.931 17.280 -11.006) 36.271 2.679 ( 3.116 1.799 0.782) 3.682 3.294 ( 18.747 10.824 0.683) 21.658 5.107 ( -4.553 -2.629 -0.941) 5.341 6.838 ( 7.704 4.448 0.042) 8.896 8.540 ( 39.801 22.979 -3.732) 46.109 9.035 ( -27.999 -16.165 3.493) 32.519 9.823 ( -5.808 -3.353 -0.510) 6.725 13.263 ( -0.044 -0.025 12.494) 12.494 13.274 ( -7.084 -4.090 -14.112) 16.311 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.000 11.715 2.053) 11.893 1.731 ( -0.000 34.487 1.984) 34.544 2.515 ( 0.000 -5.723 1.231) 5.854 2.629 ( -0.000 2.190 -1.642) 2.737 2.922 ( -0.000 14.717 2.949) 15.009 5.310 ( 0.000 -15.670 -1.846) 15.778 6.701 ( -0.000 4.666 0.478) 4.690 7.438 ( -0.000 58.891 -1.345) 58.906 9.673 ( 0.000 -27.187 -1.151) 27.211 9.933 ( 0.000 -4.165 -0.017) 4.165 13.222 ( 0.000 0.048 2.452) 2.452 13.388 ( -0.000 -0.328 -2.274) 2.298 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 9.371 16.231 -0.000) 18.742 2.291 ( 20.330 35.212 -0.000) 40.660 2.437 ( -2.505 -4.339 0.000) 5.010 2.674 ( 2.307 3.996 -0.000) 4.614 3.179 ( 9.863 17.083 -0.000) 19.726 5.139 ( -3.843 -6.657 -0.000) 7.687 6.800 ( 4.330 7.500 -0.000) 8.660 8.267 ( 25.961 44.965 -0.000) 51.921 9.215 ( -16.523 -28.619 -0.000) 33.046 9.860 ( -2.940 -5.091 -0.000) 5.879 13.249 ( 1.415 2.450 -0.000) 2.829 13.320 ( -4.389 -7.602 0.000) 8.778 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 -0.000 0.000) 0.000 1.345 ( 0.000 -0.000 0.000) 0.000 2.605 ( 0.000 -0.000 0.000) 0.000 2.605 ( 0.000 -0.000 0.000) 0.000 2.750 ( 0.000 -0.000 0.000) 0.000 5.593 ( 0.000 -0.000 0.000) 0.000 6.655 ( 0.000 -0.000 0.000) 0.000 6.655 ( 0.000 -0.000 0.000) 0.000 9.976 ( 0.000 -0.000 0.000) 0.000 9.976 ( 0.000 -0.000 0.000) 0.000 13.224 ( 0.000 -0.000 0.000) 0.000 13.373 ( -0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/49152 10.0 2663.033 2663.033 5768.996 -0.000 0.000 -0.000 3/49152 20.0 626.558 626.558 567.316 -0.000 0.000 -0.000 3/49152 30.0 212.658 212.658 143.566 -0.000 0.000 -0.000 3/49152 40.0 117.394 117.394 64.479 -0.000 -0.000 -0.000 3/49152 50.0 79.584 79.584 38.000 -0.000 -0.000 -0.000 3/49152 60.0 58.795 58.795 25.894 -0.000 -0.000 -0.000 3/49152 70.0 45.678 45.678 19.259 -0.000 -0.000 -0.000 3/49152 80.0 36.840 36.840 15.185 -0.000 -0.000 -0.000 3/49152 90.0 30.617 30.617 12.480 -0.000 -0.000 -0.000 3/49152 100.0 26.076 26.076 10.578 -0.000 -0.000 -0.000 3/49152 110.0 22.657 22.657 9.179 -0.000 -0.000 -0.000 3/49152 120.0 20.011 20.011 8.112 -0.000 -0.000 -0.000 3/49152 130.0 17.914 17.914 7.274 -0.000 -0.000 -0.000 3/49152 140.0 16.217 16.217 6.600 -0.000 -0.000 -0.000 3/49152 150.0 14.818 14.818 6.045 -0.000 -0.000 -0.000 3/49152 160.0 13.647 13.647 5.581 -0.000 -0.000 -0.000 3/49152 170.0 12.652 12.652 5.188 -0.000 -0.000 -0.000 3/49152 180.0 11.797 11.797 4.849 -0.000 -0.000 -0.000 3/49152 190.0 11.054 11.054 4.554 -0.000 -0.000 -0.000 3/49152 200.0 10.403 10.403 4.295 -0.000 -0.000 -0.000 3/49152 210.0 9.827 9.827 4.065 -0.000 -0.000 -0.000 3/49152 220.0 9.314 9.314 3.860 -0.000 -0.000 -0.000 3/49152 230.0 8.854 8.854 3.676 -0.000 -0.000 -0.000 3/49152 240.0 8.439 8.439 3.509 -0.000 -0.000 -0.000 3/49152 250.0 8.062 8.062 3.357 -0.000 -0.000 -0.000 3/49152 260.0 7.719 7.719 3.219 -0.000 -0.000 -0.000 3/49152 270.0 7.405 7.405 3.091 -0.000 -0.000 -0.000 3/49152 280.0 7.116 7.116 2.974 -0.000 -0.000 -0.000 3/49152 290.0 6.849 6.849 2.866 -0.000 -0.000 -0.000 3/49152 300.0 6.603 6.603 2.766 -0.000 -0.000 -0.000 3/49152 310.0 6.374 6.374 2.672 -0.000 -0.000 -0.000 3/49152 320.0 6.161 6.161 2.585 -0.000 -0.000 -0.000 3/49152 330.0 5.962 5.962 2.503 -0.000 -0.000 -0.000 3/49152 340.0 5.776 5.776 2.427 -0.000 -0.000 -0.000 3/49152 350.0 5.601 5.601 2.355 -0.000 -0.000 -0.000 3/49152 360.0 5.437 5.437 2.288 -0.000 -0.000 -0.000 3/49152 370.0 5.283 5.283 2.224 -0.000 -0.000 -0.000 3/49152 380.0 5.137 5.137 2.164 -0.000 -0.000 -0.000 3/49152 390.0 4.999 4.999 2.107 -0.000 -0.000 -0.000 3/49152 400.0 4.868 4.868 2.053 -0.000 -0.000 -0.000 3/49152 410.0 4.745 4.745 2.002 -0.000 -0.000 -0.000 3/49152 420.0 4.627 4.627 1.953 -0.000 -0.000 -0.000 3/49152 430.0 4.516 4.516 1.907 -0.000 -0.000 -0.000 3/49152 440.0 4.409 4.409 1.862 -0.000 -0.000 -0.000 3/49152 450.0 4.308 4.308 1.820 -0.000 -0.000 -0.000 3/49152 460.0 4.211 4.211 1.780 -0.000 -0.000 -0.000 3/49152 470.0 4.119 4.119 1.741 -0.000 -0.000 -0.000 3/49152 480.0 4.031 4.031 1.705 -0.000 -0.000 -0.000 3/49152 490.0 3.946 3.946 1.669 -0.000 -0.000 -0.000 3/49152 500.0 3.865 3.865 1.635 -0.000 -0.000 -0.000 3/49152 510.0 3.787 3.787 1.603 -0.000 -0.000 -0.000 3/49152 520.0 3.713 3.713 1.572 -0.000 -0.000 -0.000 3/49152 530.0 3.641 3.641 1.542 -0.000 -0.000 -0.000 3/49152 540.0 3.572 3.572 1.513 -0.000 -0.000 -0.000 3/49152 550.0 3.505 3.505 1.485 -0.000 -0.000 -0.000 3/49152 560.0 3.442 3.442 1.458 -0.000 -0.000 -0.000 3/49152 570.0 3.380 3.380 1.432 -0.000 -0.000 -0.000 3/49152 580.0 3.320 3.320 1.407 -0.000 -0.000 -0.000 3/49152 590.0 3.263 3.263 1.383 -0.000 -0.000 -0.000 3/49152 600.0 3.208 3.208 1.360 -0.000 -0.000 -0.000 3/49152 610.0 3.154 3.154 1.338 -0.000 -0.000 -0.000 3/49152 620.0 3.102 3.102 1.316 -0.000 -0.000 -0.000 3/49152 630.0 3.052 3.052 1.295 -0.000 -0.000 -0.000 3/49152 640.0 3.004 3.004 1.274 -0.000 -0.000 -0.000 3/49152 650.0 2.957 2.957 1.255 -0.000 -0.000 -0.000 3/49152 660.0 2.912 2.912 1.235 -0.000 -0.000 -0.000 3/49152 670.0 2.868 2.868 1.217 -0.000 -0.000 -0.000 3/49152 680.0 2.825 2.825 1.199 -0.000 -0.000 -0.000 3/49152 690.0 2.783 2.783 1.181 -0.000 -0.000 -0.000 3/49152 700.0 2.743 2.743 1.164 -0.000 -0.000 -0.000 3/49152 710.0 2.704 2.704 1.148 -0.000 -0.000 -0.000 3/49152 720.0 2.666 2.666 1.132 -0.000 -0.000 -0.000 3/49152 730.0 2.629 2.629 1.116 -0.000 -0.000 -0.000 3/49152 740.0 2.593 2.593 1.101 -0.000 -0.000 -0.000 3/49152 750.0 2.558 2.558 1.086 -0.000 -0.000 -0.000 3/49152 760.0 2.524 2.524 1.072 -0.000 -0.000 -0.000 3/49152 770.0 2.491 2.491 1.058 -0.000 -0.000 -0.000 3/49152 780.0 2.459 2.459 1.044 -0.000 -0.000 -0.000 3/49152 790.0 2.427 2.427 1.031 -0.000 -0.000 -0.000 3/49152 800.0 2.397 2.397 1.018 -0.000 -0.000 -0.000 3/49152 810.0 2.367 2.367 1.005 -0.000 -0.000 -0.000 3/49152 820.0 2.338 2.338 0.993 -0.000 -0.000 -0.000 3/49152 830.0 2.309 2.309 0.981 -0.000 -0.000 -0.000 3/49152 840.0 2.281 2.281 0.969 -0.000 -0.000 -0.000 3/49152 850.0 2.254 2.254 0.958 -0.000 -0.000 -0.000 3/49152 860.0 2.228 2.228 0.947 -0.000 -0.000 -0.000 3/49152 870.0 2.202 2.202 0.936 -0.000 -0.000 -0.000 3/49152 880.0 2.177 2.177 0.925 -0.000 -0.000 -0.000 3/49152 890.0 2.152 2.152 0.915 -0.000 -0.000 -0.000 3/49152 900.0 2.128 2.128 0.905 -0.000 -0.000 -0.000 3/49152 910.0 2.105 2.105 0.895 -0.000 -0.000 -0.000 3/49152 920.0 2.082 2.082 0.885 -0.000 -0.000 -0.000 3/49152 930.0 2.059 2.059 0.875 -0.000 -0.000 -0.000 3/49152 940.0 2.037 2.037 0.866 -0.000 -0.000 -0.000 3/49152 950.0 2.015 2.015 0.857 -0.000 -0.000 -0.000 3/49152 960.0 1.994 1.994 0.848 -0.000 -0.000 -0.000 3/49152 970.0 1.974 1.974 0.839 -0.000 -0.000 -0.000 3/49152 980.0 1.953 1.953 0.830 -0.000 -0.000 -0.000 3/49152 990.0 1.933 1.933 0.822 -0.000 -0.000 -0.000 3/49152 1000.0 1.914 1.914 0.814 -0.000 -0.000 -0.000 3/49152 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:15:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|