----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:08:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.985005569881525 1.146043500114003 6.948526846666660 b -1.985005569881521 1.146043500114003 6.948526846666660 c 0.000000000000002 -2.292087000228009 6.948526846666660 Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *2 Se 0.25953100208190 0.25953100208190 0.25953100208190 78.960 3 Se 0.74046899791810 0.74046899791810 0.74046899791810 78.960 *4 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.970011139763047 0.000000000000000 0.000000000000000 b -1.985005569881523 3.438130500342012 0.000000000000000 c 0.000000000000000 0.000000000000000 20.845580540000000 Atomic positions (fractional): *1 Na 0.33333333333333 0.66666666666667 0.16666666666667 22.990 > 1 2 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.66666666666667 0.33333333333333 0.83333333333333 22.990 > 1 *4 Se 0.00000000000000 0.00000000000000 0.25953100208190 78.960 > 2 5 Se 0.66666666666667 0.33333333333333 0.07380233125143 78.960 > 3 6 Se 0.66666666666667 0.33333333333333 0.59286433541523 78.960 > 2 7 Se 0.33333333333333 0.66666666666667 0.40713566458477 78.960 > 3 8 Se 0.33333333333333 0.66666666666667 0.92619766874857 78.960 > 2 9 Se 0.00000000000000 0.00000000000000 0.74046899791810 78.960 > 3 *10 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 4 11 In 0.66666666666667 0.33333333333333 0.33333333333333 114.818 > 4 12 In 0.33333333333333 0.66666666666667 0.66666666666667 114.818 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.910033419289141 0.000000000000000 0.000000000000000 b -5.955016709644569 10.314391501026035 0.000000000000000 c 0.000000000000000 0.000000000000000 20.845580540000000 Atomic positions (fractional): *1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 *28 Se 0.00000000000000 0.00000000000000 0.25953100208190 78.960 > 2 29 Se 0.33333333333333 0.00000000000000 0.25953100208190 78.960 > 2 30 Se 0.66666666666667 0.00000000000000 0.25953100208190 78.960 > 2 31 Se 0.00000000000000 0.33333333333333 0.25953100208190 78.960 > 2 32 Se 0.33333333333333 0.33333333333333 0.25953100208190 78.960 > 2 33 Se 0.66666666666667 0.33333333333333 0.25953100208190 78.960 > 2 34 Se 0.00000000000000 0.66666666666667 0.25953100208190 78.960 > 2 35 Se 0.33333333333333 0.66666666666667 0.25953100208190 78.960 > 2 36 Se 0.66666666666667 0.66666666666667 0.25953100208190 78.960 > 2 37 Se 0.22222222222222 0.11111111111111 0.07380233125143 78.960 > 3 38 Se 0.55555555555556 0.11111111111111 0.07380233125143 78.960 > 3 39 Se 0.88888888888889 0.11111111111111 0.07380233125143 78.960 > 3 40 Se 0.22222222222222 0.44444444444444 0.07380233125143 78.960 > 3 41 Se 0.55555555555556 0.44444444444444 0.07380233125143 78.960 > 3 42 Se 0.88888888888889 0.44444444444444 0.07380233125143 78.960 > 3 43 Se 0.22222222222222 0.77777777777778 0.07380233125143 78.960 > 3 44 Se 0.55555555555556 0.77777777777778 0.07380233125143 78.960 > 3 45 Se 0.88888888888889 0.77777777777778 0.07380233125143 78.960 > 3 46 Se 0.22222222222222 0.11111111111111 0.59286433541523 78.960 > 2 47 Se 0.55555555555556 0.11111111111111 0.59286433541523 78.960 > 2 48 Se 0.88888888888889 0.11111111111111 0.59286433541523 78.960 > 2 49 Se 0.22222222222222 0.44444444444444 0.59286433541523 78.960 > 2 50 Se 0.55555555555556 0.44444444444444 0.59286433541523 78.960 > 2 51 Se 0.88888888888889 0.44444444444444 0.59286433541523 78.960 > 2 52 Se 0.22222222222222 0.77777777777778 0.59286433541523 78.960 > 2 53 Se 0.55555555555556 0.77777777777778 0.59286433541523 78.960 > 2 54 Se 0.88888888888889 0.77777777777778 0.59286433541523 78.960 > 2 55 Se 0.11111111111111 0.22222222222222 0.40713566458477 78.960 > 3 56 Se 0.44444444444444 0.22222222222222 0.40713566458477 78.960 > 3 57 Se 0.77777777777778 0.22222222222222 0.40713566458477 78.960 > 3 58 Se 0.11111111111111 0.55555555555556 0.40713566458477 78.960 > 3 59 Se 0.44444444444444 0.55555555555556 0.40713566458477 78.960 > 3 60 Se 0.77777777777778 0.55555555555556 0.40713566458477 78.960 > 3 61 Se 0.11111111111111 0.88888888888889 0.40713566458477 78.960 > 3 62 Se 0.44444444444444 0.88888888888889 0.40713566458477 78.960 > 3 63 Se 0.77777777777778 0.88888888888889 0.40713566458477 78.960 > 3 64 Se 0.11111111111111 0.22222222222222 0.92619766874857 78.960 > 2 65 Se 0.44444444444444 0.22222222222222 0.92619766874857 78.960 > 2 66 Se 0.77777777777778 0.22222222222222 0.92619766874857 78.960 > 2 67 Se 0.11111111111111 0.55555555555556 0.92619766874857 78.960 > 2 68 Se 0.44444444444444 0.55555555555556 0.92619766874857 78.960 > 2 69 Se 0.77777777777778 0.55555555555556 0.92619766874857 78.960 > 2 70 Se 0.11111111111111 0.88888888888889 0.92619766874857 78.960 > 2 71 Se 0.44444444444444 0.88888888888889 0.92619766874857 78.960 > 2 72 Se 0.77777777777778 0.88888888888889 0.92619766874857 78.960 > 2 73 Se 0.00000000000000 0.00000000000000 0.74046899791810 78.960 > 3 74 Se 0.33333333333333 0.00000000000000 0.74046899791810 78.960 > 3 75 Se 0.66666666666667 0.00000000000000 0.74046899791810 78.960 > 3 76 Se 0.00000000000000 0.33333333333333 0.74046899791810 78.960 > 3 77 Se 0.33333333333333 0.33333333333333 0.74046899791810 78.960 > 3 78 Se 0.66666666666667 0.33333333333333 0.74046899791810 78.960 > 3 79 Se 0.00000000000000 0.66666666666667 0.74046899791810 78.960 > 3 80 Se 0.33333333333333 0.66666666666667 0.74046899791810 78.960 > 3 81 Se 0.66666666666667 0.66666666666667 0.74046899791810 78.960 > 3 *82 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 4 83 In 0.33333333333333 0.00000000000000 0.00000000000000 114.818 > 4 84 In 0.66666666666667 0.00000000000000 0.00000000000000 114.818 > 4 85 In 0.00000000000000 0.33333333333333 0.00000000000000 114.818 > 4 86 In 0.33333333333333 0.33333333333333 0.00000000000000 114.818 > 4 87 In 0.66666666666667 0.33333333333333 0.00000000000000 114.818 > 4 88 In 0.00000000000000 0.66666666666667 0.00000000000000 114.818 > 4 89 In 0.33333333333333 0.66666666666667 0.00000000000000 114.818 > 4 90 In 0.66666666666667 0.66666666666667 0.00000000000000 114.818 > 4 91 In 0.22222222222222 0.11111111111111 0.33333333333333 114.818 > 4 92 In 0.55555555555556 0.11111111111111 0.33333333333333 114.818 > 4 93 In 0.88888888888889 0.11111111111111 0.33333333333333 114.818 > 4 94 In 0.22222222222222 0.44444444444444 0.33333333333333 114.818 > 4 95 In 0.55555555555556 0.44444444444444 0.33333333333333 114.818 > 4 96 In 0.88888888888889 0.44444444444444 0.33333333333333 114.818 > 4 97 In 0.22222222222222 0.77777777777778 0.33333333333333 114.818 > 4 98 In 0.55555555555556 0.77777777777778 0.33333333333333 114.818 > 4 99 In 0.88888888888889 0.77777777777778 0.33333333333333 114.818 > 4 100 In 0.11111111111111 0.22222222222222 0.66666666666667 114.818 > 4 101 In 0.44444444444444 0.22222222222222 0.66666666666667 114.818 > 4 102 In 0.77777777777778 0.22222222222222 0.66666666666667 114.818 > 4 103 In 0.11111111111111 0.55555555555556 0.66666666666667 114.818 > 4 104 In 0.44444444444444 0.55555555555556 0.66666666666667 114.818 > 4 105 In 0.77777777777778 0.55555555555556 0.66666666666667 114.818 > 4 106 In 0.11111111111111 0.88888888888889 0.66666666666667 114.818 > 4 107 In 0.44444444444444 0.88888888888889 0.66666666666667 114.818 > 4 108 In 0.77777777777778 0.88888888888889 0.66666666666667 114.818 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.4370519 0.0000000 0.0000000 0.0000000 9.4370519 0.0000000 0.0000000 0.0000000 5.9491239 -------------------------- Born effective charges -------------------------- 1 Na 1.2222682 0.0000000 0.0000000 0.0000000 1.2222682 0.0000000 0.0000000 0.0000000 1.8562644 2 Se -2.7269732 0.0000000 0.0000000 0.0000000 -2.7269732 0.0000000 0.0000000 0.0000000 -1.7943757 3 Se -2.7269732 0.0000000 0.0000000 0.0000000 -2.7269732 0.0000000 0.0000000 0.0000000 -1.7943757 4 In 4.2316782 -0.0000000 0.0000000 0.0000000 4.2316782 0.0000000 0.0000000 0.0000000 1.7324869 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.164 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.171 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:08:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:08:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.985005569881525 1.146043500114003 6.948526846666660 b -1.985005569881521 1.146043500114003 6.948526846666660 c 0.000000000000002 -2.292087000228009 6.948526846666660 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 Se 0.25953100208190 0.25953100208190 0.25953100208190 78.960 3 Se 0.74046899791810 0.74046899791810 0.74046899791810 78.960 4 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.910033419289141 0.000000000000000 0.000000000000000 b -5.955016709644569 10.314391501026035 0.000000000000000 c 0.000000000000000 0.000000000000000 20.845580540000000 Atomic positions (fractional): 1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 28 Se 0.00000000000000 0.00000000000000 0.25953100208190 78.960 > 28 29 Se 0.33333333333333 0.00000000000000 0.25953100208190 78.960 > 28 30 Se 0.66666666666667 0.00000000000000 0.25953100208190 78.960 > 28 31 Se 0.00000000000000 0.33333333333333 0.25953100208190 78.960 > 28 32 Se 0.33333333333333 0.33333333333333 0.25953100208190 78.960 > 28 33 Se 0.66666666666667 0.33333333333333 0.25953100208190 78.960 > 28 34 Se 0.00000000000000 0.66666666666667 0.25953100208190 78.960 > 28 35 Se 0.33333333333333 0.66666666666667 0.25953100208190 78.960 > 28 36 Se 0.66666666666667 0.66666666666667 0.25953100208190 78.960 > 28 37 Se 0.22222222222222 0.11111111111111 0.07380233125143 78.960 > 37 38 Se 0.55555555555556 0.11111111111111 0.07380233125143 78.960 > 37 39 Se 0.88888888888889 0.11111111111111 0.07380233125143 78.960 > 37 40 Se 0.22222222222222 0.44444444444444 0.07380233125143 78.960 > 37 41 Se 0.55555555555556 0.44444444444444 0.07380233125143 78.960 > 37 42 Se 0.88888888888889 0.44444444444444 0.07380233125143 78.960 > 37 43 Se 0.22222222222222 0.77777777777778 0.07380233125143 78.960 > 37 44 Se 0.55555555555556 0.77777777777778 0.07380233125143 78.960 > 37 45 Se 0.88888888888889 0.77777777777778 0.07380233125143 78.960 > 37 46 Se 0.22222222222222 0.11111111111111 0.59286433541523 78.960 > 28 47 Se 0.55555555555556 0.11111111111111 0.59286433541523 78.960 > 28 48 Se 0.88888888888889 0.11111111111111 0.59286433541523 78.960 > 28 49 Se 0.22222222222222 0.44444444444444 0.59286433541523 78.960 > 28 50 Se 0.55555555555556 0.44444444444444 0.59286433541523 78.960 > 28 51 Se 0.88888888888889 0.44444444444444 0.59286433541523 78.960 > 28 52 Se 0.22222222222222 0.77777777777778 0.59286433541523 78.960 > 28 53 Se 0.55555555555556 0.77777777777778 0.59286433541523 78.960 > 28 54 Se 0.88888888888889 0.77777777777778 0.59286433541523 78.960 > 28 55 Se 0.11111111111111 0.22222222222222 0.40713566458477 78.960 > 37 56 Se 0.44444444444444 0.22222222222222 0.40713566458477 78.960 > 37 57 Se 0.77777777777778 0.22222222222222 0.40713566458477 78.960 > 37 58 Se 0.11111111111111 0.55555555555556 0.40713566458477 78.960 > 37 59 Se 0.44444444444444 0.55555555555556 0.40713566458477 78.960 > 37 60 Se 0.77777777777778 0.55555555555556 0.40713566458477 78.960 > 37 61 Se 0.11111111111111 0.88888888888889 0.40713566458477 78.960 > 37 62 Se 0.44444444444444 0.88888888888889 0.40713566458477 78.960 > 37 63 Se 0.77777777777778 0.88888888888889 0.40713566458477 78.960 > 37 64 Se 0.11111111111111 0.22222222222222 0.92619766874857 78.960 > 28 65 Se 0.44444444444444 0.22222222222222 0.92619766874857 78.960 > 28 66 Se 0.77777777777778 0.22222222222222 0.92619766874857 78.960 > 28 67 Se 0.11111111111111 0.55555555555556 0.92619766874857 78.960 > 28 68 Se 0.44444444444444 0.55555555555556 0.92619766874857 78.960 > 28 69 Se 0.77777777777778 0.55555555555556 0.92619766874857 78.960 > 28 70 Se 0.11111111111111 0.88888888888889 0.92619766874857 78.960 > 28 71 Se 0.44444444444444 0.88888888888889 0.92619766874857 78.960 > 28 72 Se 0.77777777777778 0.88888888888889 0.92619766874857 78.960 > 28 73 Se 0.00000000000000 0.00000000000000 0.74046899791810 78.960 > 37 74 Se 0.33333333333333 0.00000000000000 0.74046899791810 78.960 > 37 75 Se 0.66666666666667 0.00000000000000 0.74046899791810 78.960 > 37 76 Se 0.00000000000000 0.33333333333333 0.74046899791810 78.960 > 37 77 Se 0.33333333333333 0.33333333333333 0.74046899791810 78.960 > 37 78 Se 0.66666666666667 0.33333333333333 0.74046899791810 78.960 > 37 79 Se 0.00000000000000 0.66666666666667 0.74046899791810 78.960 > 37 80 Se 0.33333333333333 0.66666666666667 0.74046899791810 78.960 > 37 81 Se 0.66666666666667 0.66666666666667 0.74046899791810 78.960 > 37 82 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 82 83 In 0.33333333333333 0.00000000000000 0.00000000000000 114.818 > 82 84 In 0.66666666666667 0.00000000000000 0.00000000000000 114.818 > 82 85 In 0.00000000000000 0.33333333333333 0.00000000000000 114.818 > 82 86 In 0.33333333333333 0.33333333333333 0.00000000000000 114.818 > 82 87 In 0.66666666666667 0.33333333333333 0.00000000000000 114.818 > 82 88 In 0.00000000000000 0.66666666666667 0.00000000000000 114.818 > 82 89 In 0.33333333333333 0.66666666666667 0.00000000000000 114.818 > 82 90 In 0.66666666666667 0.66666666666667 0.00000000000000 114.818 > 82 91 In 0.22222222222222 0.11111111111111 0.33333333333333 114.818 > 82 92 In 0.55555555555556 0.11111111111111 0.33333333333333 114.818 > 82 93 In 0.88888888888889 0.11111111111111 0.33333333333333 114.818 > 82 94 In 0.22222222222222 0.44444444444444 0.33333333333333 114.818 > 82 95 In 0.55555555555556 0.44444444444444 0.33333333333333 114.818 > 82 96 In 0.88888888888889 0.44444444444444 0.33333333333333 114.818 > 82 97 In 0.22222222222222 0.77777777777778 0.33333333333333 114.818 > 82 98 In 0.55555555555556 0.77777777777778 0.33333333333333 114.818 > 82 99 In 0.88888888888889 0.77777777777778 0.33333333333333 114.818 > 82 100 In 0.11111111111111 0.22222222222222 0.66666666666667 114.818 > 82 101 In 0.44444444444444 0.22222222222222 0.66666666666667 114.818 > 82 102 In 0.77777777777778 0.22222222222222 0.66666666666667 114.818 > 82 103 In 0.11111111111111 0.55555555555556 0.66666666666667 114.818 > 82 104 In 0.44444444444444 0.55555555555556 0.66666666666667 114.818 > 82 105 In 0.77777777777778 0.55555555555556 0.66666666666667 114.818 > 82 106 In 0.11111111111111 0.88888888888889 0.66666666666667 114.818 > 82 107 In 0.44444444444444 0.88888888888889 0.66666666666667 114.818 > 82 108 In 0.77777777777778 0.88888888888889 0.66666666666667 114.818 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.4370519 0.0000000 0.0000000 0.0000000 9.4370519 0.0000000 0.0000000 0.0000000 5.9491239 -------------------------- Born effective charges -------------------------- 1 Na 1.2222682 0.0000000 0.0000000 0.0000000 1.2222682 0.0000000 0.0000000 0.0000000 1.8562644 2 Se -2.7269732 0.0000000 0.0000000 0.0000000 -2.7269732 0.0000000 0.0000000 0.0000000 -1.7943757 3 Se -2.7269732 0.0000000 0.0000000 0.0000000 -2.7269732 0.0000000 0.0000000 0.0000000 -1.7943757 4 In 4.2316782 -0.0000000 0.0000000 0.0000000 4.2316782 0.0000000 0.0000000 0.0000000 1.7324869 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:08:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:08:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.985005569881525 1.146043500114003 6.948526846666660 b -1.985005569881521 1.146043500114003 6.948526846666660 c 0.000000000000002 -2.292087000228009 6.948526846666660 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 Se 0.25953100208190 0.25953100208190 0.25953100208190 78.960 3 Se 0.74046899791810 0.74046899791810 0.74046899791810 78.960 4 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.910033419289141 0.000000000000000 0.000000000000000 b -5.955016709644569 10.314391501026035 0.000000000000000 c 0.000000000000000 0.000000000000000 20.845580540000000 Atomic positions (fractional): 1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 28 Se 0.00000000000000 0.00000000000000 0.25953100208190 78.960 > 28 29 Se 0.33333333333333 0.00000000000000 0.25953100208190 78.960 > 28 30 Se 0.66666666666667 0.00000000000000 0.25953100208190 78.960 > 28 31 Se 0.00000000000000 0.33333333333333 0.25953100208190 78.960 > 28 32 Se 0.33333333333333 0.33333333333333 0.25953100208190 78.960 > 28 33 Se 0.66666666666667 0.33333333333333 0.25953100208190 78.960 > 28 34 Se 0.00000000000000 0.66666666666667 0.25953100208190 78.960 > 28 35 Se 0.33333333333333 0.66666666666667 0.25953100208190 78.960 > 28 36 Se 0.66666666666667 0.66666666666667 0.25953100208190 78.960 > 28 37 Se 0.22222222222222 0.11111111111111 0.07380233125143 78.960 > 37 38 Se 0.55555555555556 0.11111111111111 0.07380233125143 78.960 > 37 39 Se 0.88888888888889 0.11111111111111 0.07380233125143 78.960 > 37 40 Se 0.22222222222222 0.44444444444444 0.07380233125143 78.960 > 37 41 Se 0.55555555555556 0.44444444444444 0.07380233125143 78.960 > 37 42 Se 0.88888888888889 0.44444444444444 0.07380233125143 78.960 > 37 43 Se 0.22222222222222 0.77777777777778 0.07380233125143 78.960 > 37 44 Se 0.55555555555556 0.77777777777778 0.07380233125143 78.960 > 37 45 Se 0.88888888888889 0.77777777777778 0.07380233125143 78.960 > 37 46 Se 0.22222222222222 0.11111111111111 0.59286433541523 78.960 > 28 47 Se 0.55555555555556 0.11111111111111 0.59286433541523 78.960 > 28 48 Se 0.88888888888889 0.11111111111111 0.59286433541523 78.960 > 28 49 Se 0.22222222222222 0.44444444444444 0.59286433541523 78.960 > 28 50 Se 0.55555555555556 0.44444444444444 0.59286433541523 78.960 > 28 51 Se 0.88888888888889 0.44444444444444 0.59286433541523 78.960 > 28 52 Se 0.22222222222222 0.77777777777778 0.59286433541523 78.960 > 28 53 Se 0.55555555555556 0.77777777777778 0.59286433541523 78.960 > 28 54 Se 0.88888888888889 0.77777777777778 0.59286433541523 78.960 > 28 55 Se 0.11111111111111 0.22222222222222 0.40713566458477 78.960 > 37 56 Se 0.44444444444444 0.22222222222222 0.40713566458477 78.960 > 37 57 Se 0.77777777777778 0.22222222222222 0.40713566458477 78.960 > 37 58 Se 0.11111111111111 0.55555555555556 0.40713566458477 78.960 > 37 59 Se 0.44444444444444 0.55555555555556 0.40713566458477 78.960 > 37 60 Se 0.77777777777778 0.55555555555556 0.40713566458477 78.960 > 37 61 Se 0.11111111111111 0.88888888888889 0.40713566458477 78.960 > 37 62 Se 0.44444444444444 0.88888888888889 0.40713566458477 78.960 > 37 63 Se 0.77777777777778 0.88888888888889 0.40713566458477 78.960 > 37 64 Se 0.11111111111111 0.22222222222222 0.92619766874857 78.960 > 28 65 Se 0.44444444444444 0.22222222222222 0.92619766874857 78.960 > 28 66 Se 0.77777777777778 0.22222222222222 0.92619766874857 78.960 > 28 67 Se 0.11111111111111 0.55555555555556 0.92619766874857 78.960 > 28 68 Se 0.44444444444444 0.55555555555556 0.92619766874857 78.960 > 28 69 Se 0.77777777777778 0.55555555555556 0.92619766874857 78.960 > 28 70 Se 0.11111111111111 0.88888888888889 0.92619766874857 78.960 > 28 71 Se 0.44444444444444 0.88888888888889 0.92619766874857 78.960 > 28 72 Se 0.77777777777778 0.88888888888889 0.92619766874857 78.960 > 28 73 Se 0.00000000000000 0.00000000000000 0.74046899791810 78.960 > 37 74 Se 0.33333333333333 0.00000000000000 0.74046899791810 78.960 > 37 75 Se 0.66666666666667 0.00000000000000 0.74046899791810 78.960 > 37 76 Se 0.00000000000000 0.33333333333333 0.74046899791810 78.960 > 37 77 Se 0.33333333333333 0.33333333333333 0.74046899791810 78.960 > 37 78 Se 0.66666666666667 0.33333333333333 0.74046899791810 78.960 > 37 79 Se 0.00000000000000 0.66666666666667 0.74046899791810 78.960 > 37 80 Se 0.33333333333333 0.66666666666667 0.74046899791810 78.960 > 37 81 Se 0.66666666666667 0.66666666666667 0.74046899791810 78.960 > 37 82 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 82 83 In 0.33333333333333 0.00000000000000 0.00000000000000 114.818 > 82 84 In 0.66666666666667 0.00000000000000 0.00000000000000 114.818 > 82 85 In 0.00000000000000 0.33333333333333 0.00000000000000 114.818 > 82 86 In 0.33333333333333 0.33333333333333 0.00000000000000 114.818 > 82 87 In 0.66666666666667 0.33333333333333 0.00000000000000 114.818 > 82 88 In 0.00000000000000 0.66666666666667 0.00000000000000 114.818 > 82 89 In 0.33333333333333 0.66666666666667 0.00000000000000 114.818 > 82 90 In 0.66666666666667 0.66666666666667 0.00000000000000 114.818 > 82 91 In 0.22222222222222 0.11111111111111 0.33333333333333 114.818 > 82 92 In 0.55555555555556 0.11111111111111 0.33333333333333 114.818 > 82 93 In 0.88888888888889 0.11111111111111 0.33333333333333 114.818 > 82 94 In 0.22222222222222 0.44444444444444 0.33333333333333 114.818 > 82 95 In 0.55555555555556 0.44444444444444 0.33333333333333 114.818 > 82 96 In 0.88888888888889 0.44444444444444 0.33333333333333 114.818 > 82 97 In 0.22222222222222 0.77777777777778 0.33333333333333 114.818 > 82 98 In 0.55555555555556 0.77777777777778 0.33333333333333 114.818 > 82 99 In 0.88888888888889 0.77777777777778 0.33333333333333 114.818 > 82 100 In 0.11111111111111 0.22222222222222 0.66666666666667 114.818 > 82 101 In 0.44444444444444 0.22222222222222 0.66666666666667 114.818 > 82 102 In 0.77777777777778 0.22222222222222 0.66666666666667 114.818 > 82 103 In 0.11111111111111 0.55555555555556 0.66666666666667 114.818 > 82 104 In 0.44444444444444 0.55555555555556 0.66666666666667 114.818 > 82 105 In 0.77777777777778 0.55555555555556 0.66666666666667 114.818 > 82 106 In 0.11111111111111 0.88888888888889 0.66666666666667 114.818 > 82 107 In 0.44444444444444 0.88888888888889 0.66666666666667 114.818 > 82 108 In 0.77777777777778 0.88888888888889 0.66666666666667 114.818 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.4370519 0.0000000 0.0000000 0.0000000 9.4370519 0.0000000 0.0000000 0.0000000 5.9491239 -------------------------- Born effective charges -------------------------- 1 Na 1.2222682 0.0000000 0.0000000 0.0000000 1.2222682 0.0000000 0.0000000 0.0000000 1.8562644 2 Se -2.7269732 0.0000000 0.0000000 0.0000000 -2.7269732 0.0000000 0.0000000 0.0000000 -1.7943757 3 Se -2.7269732 0.0000000 0.0000000 0.0000000 -2.7269732 0.0000000 0.0000000 0.0000000 -1.7943757 4 In 4.2316782 -0.0000000 0.0000000 0.0000000 4.2316782 0.0000000 0.0000000 0.0000000 1.7324869 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.91, Number of G-points: 313, Lambda: 0.27 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 344 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 2.804 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.640 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 14.510 8.378 -0.438) 16.761 0.399 ( 17.486 10.095 1.040) 20.218 0.818 ( 34.793 20.088 6.057) 40.629 2.781 ( -2.378 -1.373 3.484) 4.436 2.878 ( 6.572 3.795 -5.244) 9.225 3.474 ( 3.508 2.025 -3.378) 5.274 3.540 ( 6.595 3.807 4.883) 9.046 3.997 ( 0.509 0.294 2.726) 2.788 4.622 ( 0.663 0.383 -6.876) 6.918 5.060 ( -0.360 -0.208 -0.620) 0.746 5.937 ( -6.494 -3.749 -4.454) 8.722 5.996 ( -4.279 -2.470 7.812) 9.243 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 17.332 10.007 -2.556) 20.176 0.785 ( 16.821 9.712 -0.192) 19.425 1.574 ( 30.824 17.796 2.338) 35.670 2.731 ( -3.189 -1.841 5.622) 6.720 3.027 ( 8.136 4.698 -7.449) 11.990 3.562 ( 5.340 3.083 -5.834) 8.489 3.763 ( 10.355 5.978 9.703) 15.399 4.025 ( 0.825 0.477 4.913) 5.004 4.621 ( 0.599 0.346 -0.667) 0.961 5.052 ( 0.134 0.077 -1.312) 1.321 5.664 ( -16.311 -9.417 3.044) 19.079 5.936 ( -2.169 -1.252 -6.633) 7.090 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 17.054 9.846 -4.462) 20.192 1.146 ( 15.556 8.981 -1.918) 18.065 2.176 ( 22.392 12.928 -5.023) 26.339 2.681 ( -2.996 -1.730 6.636) 7.484 3.213 ( 10.794 6.232 -1.471) 12.550 3.667 ( 5.805 3.351 -7.628) 10.155 4.011 ( 7.421 4.285 12.334) 15.019 4.063 ( 0.902 0.521 6.253) 6.339 4.654 ( 1.828 1.055 3.145) 3.787 5.061 ( 1.181 0.682 -2.615) 2.949 5.266 ( -18.917 -10.922 2.736) 22.015 5.847 ( -3.200 -1.848 -11.940) 12.499 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 14.216 8.208 -5.661) 17.364 1.464 ( 13.487 7.787 -3.770) 16.024 2.531 ( 12.486 7.209 -10.014) 17.554 2.640 ( -2.657 -1.534 6.997) 7.640 3.527 ( 15.734 9.084 7.337) 19.593 3.767 ( 5.384 3.109 -8.727) 10.715 4.104 ( 0.922 0.533 6.669) 6.753 4.140 ( 0.484 0.279 12.987) 12.999 4.613 ( -12.341 -7.125 8.610) 16.649 4.970 ( -1.720 -0.993 -3.059) 3.647 5.089 ( 1.447 0.835 -2.944) 3.385 5.720 ( -4.040 -2.333 -15.285) 15.981 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 9.759 5.634 -5.113) 12.375 1.719 ( 10.462 6.040 -5.159) 13.136 2.606 ( -2.345 -1.354 6.811) 7.330 2.744 ( 10.156 5.864 -6.242) 13.285 3.847 ( 4.136 2.388 -8.369) 9.636 3.882 ( 9.596 5.540 10.603) 15.336 4.138 ( -2.228 -1.286 9.951) 10.278 4.147 ( 1.119 0.646 5.945) 6.084 4.280 ( -14.436 -8.334 8.447) 18.687 5.056 ( 6.049 3.493 -2.719) 7.496 5.097 ( 0.421 0.243 -6.665) 6.683 5.584 ( -3.497 -2.019 -13.822) 14.400 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 5.284 3.051 -2.596) 6.631 1.894 ( 6.548 3.781 -4.970) 9.048 2.580 ( -1.695 -0.979 5.510) 5.848 2.970 ( 11.025 6.365 -1.315) 12.798 3.815 ( -10.538 -6.084 3.969) 12.800 3.897 ( 2.372 1.370 -5.925) 6.527 4.062 ( -8.683 -5.013 12.700) 16.180 4.190 ( 1.179 0.681 3.930) 4.160 4.317 ( 9.984 5.764 5.221) 12.655 5.036 ( -2.371 -1.369 -11.489) 11.811 5.190 ( 5.772 3.333 -1.311) 6.793 5.488 ( -2.263 -1.307 -7.304) 7.758 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 1.627 0.939 -0.541) 1.955 1.980 ( 2.192 1.266 -2.149) 3.320 2.566 ( -0.607 -0.350 2.227) 2.334 3.193 ( 7.177 4.144 0.781) 8.324 3.632 ( -5.249 -3.031 -0.373) 6.073 3.918 ( 0.733 0.423 -2.096) 2.261 3.924 ( -5.088 -2.938 5.544) 8.078 4.219 ( 0.531 0.307 1.323) 1.458 4.501 ( 4.309 2.488 3.239) 5.937 4.947 ( -1.919 -1.108 -6.626) 6.987 5.307 ( 4.545 2.624 0.384) 5.262 5.417 ( -2.869 -1.656 -2.710) 4.280 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( -0.000 15.809 8.505) 17.952 0.436 ( -0.000 19.685 8.346) 21.381 0.823 ( -0.000 39.386 7.060) 40.013 2.738 ( 0.000 -4.262 -5.452) 6.920 2.918 ( -0.000 10.081 2.964) 10.507 3.501 ( 0.000 5.184 -3.061) 6.020 3.515 ( -0.000 5.476 4.922) 7.363 3.968 ( 0.000 -0.799 -3.454) 3.545 4.570 ( 0.000 3.291 -15.025) 15.381 5.055 ( 0.000 -0.359 -2.207) 2.236 5.903 ( 0.000 -7.346 -2.505) 7.761 6.089 ( -0.000 -6.111 16.478) 17.574 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 5.994 16.399 4.004) 17.913 0.732 ( 8.011 18.466 4.269) 20.576 1.396 ( 18.696 31.698 5.194) 37.166 2.725 ( 4.144 -4.188 -3.843) 7.034 3.005 ( -2.099 10.156 2.386) 10.642 3.547 ( 1.063 7.187 -5.823) 9.311 3.683 ( 8.957 6.459 7.769) 13.502 3.984 ( 3.437 -2.234 -0.459) 4.125 4.584 ( 2.877 0.762 -7.236) 7.825 5.044 ( 0.165 -0.231 -2.875) 2.889 5.755 ( -6.065 -13.659 0.984) 14.978 6.003 ( -7.690 -0.989 4.935) 9.191 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 12.210 13.969 -1.426) 18.608 1.061 ( 9.666 16.332 1.462) 19.034 1.990 ( 17.922 22.744 -1.501) 28.996 2.749 ( 0.512 0.867 2.528) 2.721 3.096 ( 4.901 5.363 0.809) 7.310 3.627 ( 2.675 7.163 -7.480) 10.697 3.947 ( 10.217 5.832 10.276) 15.620 4.018 ( 3.373 -3.834 3.150) 6.000 4.637 ( 3.666 2.588 -2.352) 5.067 5.043 ( 0.825 0.374 -3.222) 3.347 5.446 ( -14.108 -14.955 3.658) 20.882 5.871 ( -6.850 -1.124 -5.382) 8.784 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 13.268 10.907 -4.826) 17.841 1.373 ( 9.496 14.200 -0.710) 17.097 2.385 ( 11.132 11.900 -8.045) 18.173 2.762 ( -4.839 6.596 5.078) 9.629 3.321 ( 15.771 2.843 4.779) 16.722 3.731 ( 3.694 8.262 -6.827) 11.337 4.037 ( 3.135 -6.575 5.203) 8.952 4.159 ( 5.288 2.772 11.191) 12.684 4.735 ( 1.417 4.810 2.709) 5.700 5.028 ( -6.577 -5.370 -3.461) 9.169 5.094 ( -6.771 -4.579 2.064) 8.431 5.714 ( -5.774 -3.425 -12.423) 14.121 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 11.299 7.328 -6.049) 14.764 1.644 ( 7.845 12.435 -2.428) 14.902 2.595 ( 7.242 4.881 -2.448) 9.070 2.758 ( -4.802 9.171 1.105) 10.411 3.624 ( 15.600 -1.909 0.309) 15.719 3.873 ( 3.657 6.614 0.975) 7.621 4.043 ( 4.702 -4.410 4.709) 7.983 4.250 ( -0.877 1.112 12.130) 12.212 4.578 ( -18.458 -2.234 7.750) 20.143 4.978 ( 5.809 3.688 -3.711) 7.818 5.078 ( -0.222 0.418 -4.500) 4.525 5.547 ( -3.052 -5.197 -14.812) 15.991 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 8.000 3.600 -4.667) 9.937 1.855 ( 4.825 10.740 -3.481) 12.277 2.676 ( -3.071 4.072 7.355) 8.951 2.864 ( 7.375 9.082 -4.706) 12.610 3.774 ( 6.363 -7.843 -2.048) 10.305 3.847 ( -1.189 -5.883 -0.289) 6.009 4.219 ( -7.801 -2.306 14.312) 16.462 4.244 ( 9.192 9.190 5.477) 14.105 4.355 ( -10.999 6.808 5.180) 13.935 5.016 ( -2.400 -2.232 -11.260) 11.728 5.112 ( 6.014 3.147 -2.466) 7.222 5.443 ( 0.839 -4.503 -8.949) 10.053 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 4.589 0.332 -2.468) 5.222 1.988 ( 1.185 8.417 -3.025) 9.023 2.678 ( -5.272 7.363 5.175) 10.430 3.077 ( 9.650 4.966 -2.827) 11.215 3.635 ( -3.543 -11.002 0.472) 11.568 3.886 ( 3.197 2.122 -5.908) 7.045 4.079 ( -10.188 -0.674 10.133) 14.385 4.297 ( -5.026 4.831 3.987) 8.031 4.477 ( 4.848 6.829 4.744) 9.625 4.916 ( -0.466 -3.744 -9.461) 10.186 5.232 ( 6.141 1.455 -0.483) 6.329 5.402 ( 0.462 -3.635 -3.848) 5.314 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 1.639 -1.963 -1.218) 2.832 2.041 ( -2.314 5.743 -0.722) 6.233 2.669 ( -6.541 8.600 1.199) 10.871 3.192 ( 1.807 -2.407 -5.160) 5.974 3.541 ( 3.227 -5.248 -0.985) 6.239 3.918 ( -0.833 2.353 -0.617) 2.571 3.980 ( -4.576 4.785 1.073) 6.707 4.278 ( -3.290 3.437 2.014) 5.167 4.545 ( -2.517 1.489 -1.474) 3.275 4.910 ( 4.315 -1.630 3.775) 5.960 5.312 ( 1.045 -3.402 0.496) 3.594 5.372 ( 2.541 -0.850 -0.442) 2.715 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -1.270 -3.360 0.207) 3.597 2.014 ( -6.451 2.924 2.166) 7.406 2.636 ( -5.305 6.644 -3.405) 9.158 3.078 ( -7.474 -4.343 -3.077) 9.176 3.618 ( 10.170 -3.242 -2.934) 11.070 3.925 ( -0.760 0.168 1.399) 1.601 4.004 ( 0.820 6.860 -4.556) 8.276 4.269 ( -2.894 5.857 -1.586) 6.723 4.431 ( -9.361 -1.211 -4.278) 10.363 5.018 ( 5.236 -0.184 11.202) 12.366 5.236 ( -3.539 -4.201 0.058) 5.493 5.442 ( 4.784 -1.713 4.662) 6.896 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -5.544 -4.774 2.911) 7.874 1.889 ( -11.044 -0.140 3.522) 11.593 2.610 ( -2.089 4.046 -6.156) 7.657 2.901 ( -9.609 -0.422 2.705) 9.991 3.747 ( 9.162 -7.466 -5.111) 12.877 3.882 ( -1.692 -3.869 4.060) 5.858 4.092 ( 4.191 5.823 -11.440) 13.503 4.203 ( -12.738 -2.596 -3.016) 13.345 4.308 ( -0.742 12.490 -4.357) 13.249 5.108 ( 0.800 -0.490 7.586) 7.644 5.128 ( -4.538 -3.331 1.342) 5.787 5.539 ( 6.532 -2.086 10.747) 12.748 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -11.396 -6.457 4.459) 13.836 1.671 ( -14.494 -2.315 3.018) 14.985 2.590 ( -1.693 -0.306 -3.129) 3.570 2.780 ( -9.822 6.130 5.103) 12.652 3.596 ( -8.935 -14.218 -4.563) 17.401 3.886 ( -1.830 -0.036 1.937) 2.665 4.007 ( -2.572 -4.857 -1.814) 5.787 4.133 ( -0.127 2.019 -11.935) 12.105 4.510 ( 9.469 15.354 -6.548) 19.191 5.001 ( -5.183 -3.044 1.163) 6.122 5.118 ( -1.458 -0.936 3.825) 4.199 5.683 ( 7.092 -0.896 13.261) 15.065 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -16.296 -7.222 3.658) 18.196 1.386 ( -17.169 -2.824 1.999) 17.514 2.455 ( -15.179 -4.916 5.869) 17.001 2.716 ( -5.832 8.394 -4.178) 11.042 3.289 ( -8.478 -11.215 -1.534) 14.142 3.801 ( -7.930 0.562 7.322) 10.808 3.982 ( 3.080 -4.222 -5.988) 7.948 4.054 ( -4.767 -2.085 -10.411) 11.639 4.696 ( -2.258 4.694 -4.970) 7.200 5.050 ( 14.384 5.401 -0.722) 15.381 5.088 ( -1.824 -0.855 2.424) 3.152 5.825 ( 5.426 -0.090 10.504) 11.823 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -18.848 -5.707 1.942) 19.788 1.059 ( -19.405 -1.950 0.973) 19.527 2.003 ( -31.653 -5.663 1.286) 32.181 2.716 ( -0.337 4.136 -4.277) 5.959 3.110 ( -5.145 -5.390 3.821) 8.374 3.702 ( -8.041 1.755 7.696) 11.268 3.846 ( -9.713 -4.504 -10.249) 14.822 3.988 ( 1.393 -2.130 -3.302) 4.169 4.642 ( -2.861 0.577 -1.400) 3.237 5.062 ( -0.961 -0.249 0.720) 1.227 5.421 ( 19.875 5.281 -1.458) 20.617 5.925 ( 3.328 0.218 5.605) 6.522 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -18.693 0.000 0.000) 18.693 0.711 ( -20.772 0.000 0.000) 20.772 1.370 ( -38.520 0.000 0.000) 38.520 2.745 ( 1.948 -0.000 -0.000) 1.948 2.992 ( -7.122 0.000 0.000) 7.122 3.604 ( -10.001 0.000 0.000) 10.001 3.617 ( -7.327 0.000 0.000) 7.327 3.986 ( 0.331 -0.000 -0.000) 0.331 4.622 ( 0.136 -0.000 -0.000) 0.136 5.056 ( 0.114 -0.000 -0.000) 0.114 5.753 ( 16.026 -0.000 -0.000) 16.026 5.977 ( 1.653 -0.000 -0.000) 1.653 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -0.000 18.733 5.343) 19.480 0.867 ( -0.000 19.326 7.821) 20.849 1.603 ( -0.000 36.611 5.070) 36.960 2.603 ( 0.000 -4.825 -7.186) 8.655 3.187 ( -0.000 12.489 7.884) 14.769 3.593 ( 0.000 7.113 -7.108) 10.056 3.682 ( -0.000 7.402 6.426) 9.802 3.918 ( 0.000 -0.956 -6.006) 6.082 4.537 ( 0.000 0.963 -6.956) 7.022 5.026 ( 0.000 -0.256 -4.770) 4.777 5.656 ( -0.000 -17.315 2.667) 17.519 6.090 ( -0.000 -2.143 7.374) 7.679 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 1.394 18.595 2.632) 18.832 1.122 ( 4.873 18.127 5.422) 19.538 2.028 ( 7.663 29.794 0.686) 30.772 2.623 ( 9.277 -2.286 -4.422) 10.528 3.241 ( -7.787 8.956 8.479) 14.586 3.646 ( 1.021 7.756 -8.271) 11.384 3.859 ( 8.356 4.830 4.037) 10.462 3.932 ( 4.134 -0.353 0.252) 4.156 4.569 ( 4.579 1.785 -5.120) 7.097 5.014 ( 0.885 -0.296 -5.583) 5.661 5.446 ( -5.154 -18.498 3.660) 19.548 6.012 ( -8.586 -0.945 2.923) 9.119 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 5.560 15.687 -1.642) 16.724 1.398 ( 6.227 16.366 3.174) 17.796 2.352 ( 5.757 15.456 -6.485) 17.723 2.839 ( 10.628 8.328 1.023) 13.541 3.216 ( -2.788 3.004 6.658) 7.819 3.738 ( 3.275 9.298 -5.475) 11.277 3.926 ( 3.530 -5.612 -0.727) 6.670 4.109 ( 7.488 3.637 9.629) 12.729 4.693 ( 7.730 4.470 -2.950) 9.404 5.004 ( 0.820 -3.720 -5.061) 6.335 5.177 ( -8.485 -11.846 3.451) 14.975 5.823 ( -12.200 -1.276 -3.399) 12.728 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 7.405 11.228 -4.464) 14.172 1.665 ( 6.191 15.326 1.784) 16.625 2.536 ( 5.740 8.394 -3.773) 10.847 2.977 ( -6.810 12.088 1.012) 13.911 3.335 ( 14.713 -3.507 0.501) 15.133 3.864 ( 1.221 -1.503 -0.931) 2.149 3.958 ( 6.888 5.764 3.627) 9.686 4.262 ( 4.458 1.364 8.683) 9.855 4.782 ( -6.461 -8.173 4.998) 11.555 4.917 ( 4.034 3.882 -4.289) 7.052 5.079 ( -0.260 0.904 -2.641) 2.803 5.571 ( -11.726 -3.793 -9.578) 15.608 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 6.808 6.912 -4.258) 10.595 1.904 ( 4.083 14.741 0.547) 15.306 2.699 ( 5.740 4.742 3.595) 8.268 2.961 ( -6.119 11.183 -1.544) 12.840 3.534 ( 12.918 -5.106 -3.616) 14.353 3.798 ( -0.757 -7.199 -0.028) 7.238 4.218 ( 8.367 11.762 5.295) 15.375 4.335 ( -1.353 0.228 11.218) 11.302 4.578 ( -8.331 -2.351 3.012) 9.166 5.028 ( -1.652 1.381 -6.010) 6.384 5.065 ( 0.701 3.617 -2.949) 4.719 5.348 ( -2.197 -6.572 -10.098) 12.247 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 4.466 3.361 -2.508) 6.126 2.077 ( 0.279 12.939 -0.574) 12.955 2.824 ( 1.447 4.112 8.928) 9.936 3.018 ( 1.413 10.435 -5.695) 11.972 3.563 ( -0.435 -10.517 0.576) 10.542 3.804 ( 6.735 2.458 -6.540) 9.704 4.271 ( -8.585 -0.749 11.593) 14.445 4.415 ( 0.174 5.073 3.748) 6.310 4.538 ( -0.532 7.831 2.397) 8.207 4.864 ( -5.123 -5.438 -9.718) 12.258 5.150 ( 4.350 1.984 -1.587) 5.037 5.309 ( 3.903 -4.760 -4.138) 7.417 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 1.667 0.663 -1.463) 2.315 2.162 ( -2.973 10.102 -0.504) 10.543 2.882 ( -4.710 7.315 4.772) 9.923 3.118 ( 2.661 4.361 -6.473) 8.246 3.441 ( -0.209 -8.202 -1.326) 8.311 3.937 ( 3.759 6.757 -4.106) 8.755 4.156 ( -8.833 3.336 4.471) 10.447 4.381 ( -5.358 0.842 3.349) 6.374 4.607 ( -1.267 4.674 -2.870) 5.630 4.803 ( 5.034 -4.260 2.842) 7.181 5.229 ( 4.471 -2.394 1.063) 5.182 5.312 ( 2.374 -2.837 -2.676) 4.566 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -0.374 -1.112 -1.240) 1.707 2.175 ( -5.916 7.536 0.705) 9.606 2.811 ( -8.831 2.353 -2.342) 9.434 3.128 ( -2.932 2.549 -5.621) 6.832 3.438 ( 6.197 -2.951 -1.518) 7.029 3.980 ( -3.597 2.718 0.273) 4.517 4.095 ( -4.421 5.937 -1.370) 7.528 4.350 ( -1.228 3.747 0.278) 3.953 4.569 ( -6.532 3.260 -3.649) 8.161 4.916 ( 9.096 -3.347 10.901) 14.586 5.224 ( -0.244 -4.514 -0.358) 4.534 5.346 ( 4.428 -2.832 1.495) 5.464 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -2.363 -2.380 -0.037) 3.354 2.101 ( -10.569 4.139 1.791) 11.491 2.681 ( -5.055 -0.183 -5.246) 7.287 3.059 ( -6.486 4.125 -1.932) 7.926 3.534 ( 7.278 -1.992 -1.973) 7.799 3.902 ( -4.474 -4.397 1.693) 6.498 4.101 ( -0.842 6.030 -4.130) 7.357 4.362 ( -5.727 3.234 -1.674) 6.787 4.452 ( -6.985 6.444 -4.235) 10.404 5.073 ( 6.430 -1.046 9.665) 11.656 5.164 ( -2.581 -2.371 -0.693) 3.573 5.406 ( 7.129 -5.455 6.045) 10.822 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -6.794 -3.290 1.771) 7.754 1.914 ( -14.530 0.612 1.557) 14.626 2.613 ( -1.846 0.196 -3.684) 4.125 3.010 ( -6.356 8.580 1.940) 10.852 3.545 ( -1.952 -10.093 -1.607) 10.405 3.812 ( 1.214 -3.681 -0.401) 3.896 4.131 ( -0.460 4.245 -7.778) 8.873 4.173 ( -13.325 -0.379 1.067) 13.373 4.513 ( 3.693 9.644 -3.777) 10.996 5.077 ( -5.760 -1.266 -0.506) 5.919 5.134 ( 0.093 -0.914 3.561) 3.677 5.545 ( 10.950 -3.666 9.265) 14.805 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -13.212 -2.866 1.695) 13.626 1.655 ( -16.285 -0.672 0.782) 16.318 2.573 ( -3.218 -0.254 -0.257) 3.238 2.999 ( -10.767 12.606 3.221) 16.889 3.290 ( -8.565 -14.494 -3.180) 17.133 3.854 ( 5.169 -1.542 -1.984) 5.747 3.978 ( -9.844 -0.335 3.734) 10.533 4.093 ( -4.104 0.476 -6.449) 7.659 4.708 ( 8.399 6.962 -3.186) 11.365 4.962 ( -3.634 -1.224 0.296) 3.846 5.117 ( -1.617 -0.682 1.269) 2.166 5.722 ( 9.230 -1.131 5.750) 10.933 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -17.779 0.000 0.000) 17.779 1.366 ( -17.823 0.000 0.000) 17.823 2.426 ( -17.501 0.000 0.000) 17.501 2.823 ( -12.310 0.000 0.000) 12.310 3.140 ( -1.991 0.000 0.000) 1.991 3.850 ( -6.848 0.000 0.000) 6.848 3.915 ( 2.263 -0.000 -0.000) 2.263 3.976 ( -7.046 0.000 0.000) 7.046 4.724 ( -6.007 0.000 0.000) 6.007 5.085 ( -1.757 0.000 0.000) 1.757 5.113 ( 18.107 -0.000 -0.000) 18.107 5.856 ( 6.117 -0.000 -0.000) 6.117 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -0.000 18.096 2.194) 18.228 1.275 ( -0.000 17.713 6.036) 18.713 2.282 ( -0.000 30.323 1.170) 30.345 2.478 ( 0.000 -3.247 -6.108) 6.918 3.434 ( -0.000 4.857 11.505) 12.488 3.695 ( 0.000 9.511 -7.874) 12.347 3.815 ( 0.000 0.985 -4.197) 4.311 3.916 ( -0.000 6.299 3.224) 7.076 4.517 ( 0.000 -0.304 -4.200) 4.211 4.977 ( 0.000 -1.564 -6.701) 6.881 5.326 ( -0.000 -16.351 4.260) 16.897 6.086 ( -0.000 -2.071 3.550) 4.110 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -0.509 16.213 -0.330) 16.225 1.486 ( 3.491 15.734 4.021) 16.611 2.422 ( 0.307 8.448 -4.543) 9.597 2.684 ( 13.349 12.806 -2.034) 18.610 3.413 ( -8.941 3.374 8.490) 12.783 3.776 ( 1.328 10.085 -2.899) 10.577 3.820 ( 2.637 -2.189 -6.509) 7.356 4.064 ( 5.590 5.267 8.075) 11.145 4.555 ( 8.080 -2.826 -3.446) 9.227 4.935 ( 0.053 -3.810 -5.394) 6.604 5.186 ( -3.302 -7.239 2.105) 8.231 5.996 ( -8.806 -2.163 0.867) 9.109 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 1.710 12.303 -3.277) 12.846 1.723 ( 5.821 14.766 3.286) 16.209 2.534 ( 3.968 7.989 -1.228) 9.004 2.995 ( 14.663 4.510 -6.169) 16.534 3.295 ( -10.753 3.427 4.786) 12.259 3.799 ( 0.981 -4.579 -4.026) 6.176 3.952 ( 6.219 12.033 4.232) 14.190 4.209 ( 5.381 1.560 5.934) 8.161 4.659 ( 8.520 -10.795 1.069) 13.794 4.897 ( 0.834 2.974 -4.272) 5.272 5.108 ( -2.748 1.100 -2.037) 3.593 5.768 ( -14.832 -2.536 -2.760) 15.298 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 4.033 8.535 -3.345) 10.015 1.981 ( 5.775 15.158 3.487) 16.592 2.672 ( 3.900 5.045 3.059) 7.073 3.178 ( -6.853 2.910 2.204) 7.765 3.238 ( 14.024 1.358 -8.199) 16.301 3.742 ( -0.551 -5.356 -1.617) 5.622 4.215 ( 7.827 11.367 6.965) 15.459 4.331 ( 5.541 2.338 3.162) 6.795 4.597 ( -1.597 -10.196 2.613) 10.646 5.015 ( 6.672 5.382 -3.280) 9.178 5.079 ( -1.934 1.678 -3.497) 4.335 5.449 ( -17.066 -3.697 -5.664) 18.357 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 3.857 5.644 -1.520) 7.003 2.206 ( 1.647 14.704 2.590) 15.021 2.780 ( 5.387 -0.805 6.310) 8.336 3.152 ( -3.228 9.101 -0.986) 9.706 3.436 ( 8.910 -1.488 -3.290) 9.614 3.696 ( 2.913 -1.617 -4.205) 5.365 4.397 ( 1.390 1.356 8.287) 8.512 4.455 ( -1.200 2.436 3.695) 4.586 4.518 ( 4.854 1.383 -3.770) 6.299 4.990 ( -11.700 -0.903 -2.512) 12.001 5.145 ( 1.948 4.736 -2.189) 5.569 5.177 ( -1.045 -5.960 -4.876) 7.771 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 1.478 3.162 -0.276) 3.501 2.323 ( -3.135 11.561 1.192) 12.038 2.883 ( 5.667 -2.854 4.754) 7.928 3.223 ( -1.355 13.386 -2.065) 13.612 3.403 ( -4.551 -5.606 -1.328) 7.342 3.863 ( 12.027 7.215 -4.939) 14.869 4.326 ( -7.171 -0.060 4.355) 8.390 4.503 ( -2.817 2.019 2.852) 4.489 4.550 ( 1.556 -4.452 -9.176) 10.317 4.806 ( -5.125 1.564 5.869) 7.947 5.147 ( 2.797 -2.373 -0.685) 3.731 5.227 ( 3.723 -0.684 -2.327) 4.444 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -1.117 1.228 -0.358) 1.698 2.355 ( -5.212 9.252 1.200) 10.686 2.881 ( -2.359 -6.185 -1.481) 6.784 3.235 ( -6.791 2.609 -5.914) 9.376 3.374 ( 2.572 8.389 1.809) 8.959 4.060 ( -0.081 5.172 -1.798) 5.476 4.230 ( -5.430 3.502 -4.575) 7.917 4.393 ( -1.659 0.720 2.964) 3.473 4.608 ( 5.811 -1.980 -0.271) 6.145 4.798 ( 0.010 -1.677 6.771) 6.976 5.166 ( 2.226 -3.112 0.102) 3.828 5.263 ( 2.822 -1.815 -0.457) 3.386 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -2.451 -0.150 -0.680) 2.548 2.326 ( -8.965 6.972 1.603) 11.470 2.723 ( -5.355 -5.934 -4.311) 9.082 3.153 ( -2.814 0.470 -4.322) 5.178 3.502 ( 0.441 9.741 1.202) 9.825 3.952 ( -6.672 -5.978 -0.819) 8.996 4.190 ( -3.941 4.863 -0.402) 6.272 4.455 ( -0.450 6.881 -1.862) 7.142 4.610 ( -6.833 2.291 -3.192) 7.882 4.902 ( 14.103 -4.856 10.260) 18.104 5.165 ( 0.308 -0.569 -1.156) 1.324 5.279 ( 2.699 -4.924 1.992) 5.958 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -3.583 -0.804 -0.039) 3.673 2.175 ( -14.321 2.083 0.807) 14.495 2.622 ( -1.237 -1.623 -2.376) 3.132 3.124 ( -0.824 2.269 -1.732) 2.971 3.553 ( -4.195 3.369 0.962) 5.466 3.791 ( -3.477 -5.893 -0.124) 6.843 4.178 ( -2.239 3.241 -2.066) 4.448 4.401 ( -12.491 1.068 0.872) 12.567 4.532 ( 0.145 2.897 -2.920) 4.116 5.104 ( 5.551 -0.323 3.472) 6.555 5.155 ( -3.065 2.057 -1.560) 4.007 5.322 ( 11.103 -5.613 4.306) 13.165 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -7.562 0.000 0.000) 7.562 1.925 ( -15.972 0.000 0.000) 15.972 2.600 ( -0.823 0.000 0.000) 0.823 3.149 ( 1.050 -0.000 -0.000) 1.050 3.400 ( -13.327 0.000 0.000) 13.327 3.770 ( 3.004 -0.000 -0.000) 3.004 4.148 ( -2.846 0.000 0.000) 2.846 4.177 ( -13.259 0.000 0.000) 13.259 4.597 ( 6.006 -0.000 -0.000) 6.006 5.069 ( -7.101 0.000 0.000) 7.101 5.133 ( -0.286 0.000 0.000) 0.286 5.534 ( 13.176 -0.000 -0.000) 13.176 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.000 14.147 -1.398) 14.216 1.605 ( -0.000 12.955 1.321) 13.022 2.420 ( 0.000 0.512 -1.551) 1.633 2.724 ( 0.000 14.405 -5.206) 15.317 3.551 ( -0.000 3.173 7.884) 8.499 3.765 ( 0.000 -0.335 -7.998) 8.005 3.866 ( -0.000 9.326 2.456) 9.644 4.104 ( -0.000 8.081 6.223) 10.199 4.385 ( 0.000 -12.665 -2.157) 12.848 4.905 ( 0.000 0.693 -4.679) 4.730 5.174 ( 0.000 -1.346 -0.092) 1.349 6.047 ( -0.000 -3.441 0.607) 3.494 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -1.997 10.184 -3.913) 11.091 1.762 ( 5.340 10.984 -0.133) 12.214 2.508 ( 6.780 4.712 2.578) 8.650 2.827 ( 4.795 1.762 -7.478) 9.056 3.519 ( -8.863 2.422 3.245) 9.744 3.742 ( 0.381 -0.848 -6.277) 6.345 4.005 ( 3.508 11.953 7.542) 14.563 4.174 ( 1.128 -0.317 3.545) 3.734 4.384 ( 11.235 -8.144 1.790) 13.991 4.913 ( -0.052 4.159 -4.768) 6.327 5.161 ( -1.886 2.728 -1.822) 3.784 5.935 ( -8.650 -4.008 -1.170) 9.605 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 1.131 6.966 -3.806) 8.018 1.998 ( 9.156 11.462 1.535) 14.750 2.678 ( 3.078 4.197 5.537) 7.599 2.917 ( 13.221 -4.539 -6.221) 15.301 3.377 ( -8.332 1.291 -1.902) 8.643 3.717 ( -0.952 -0.343 -3.586) 3.726 4.192 ( 5.361 -1.769 4.398) 7.156 4.268 ( 7.064 10.647 3.749) 13.316 4.494 ( 5.646 -3.728 4.918) 8.365 4.954 ( 2.466 3.311 -5.008) 6.490 5.151 ( -2.899 4.817 -2.522) 6.162 5.685 ( -15.178 -4.217 -2.880) 16.014 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 3.660 5.300 -1.382) 6.587 2.280 ( 8.226 12.841 3.440) 15.633 2.707 ( 1.768 -4.584 3.590) 6.085 3.151 ( 13.783 0.699 2.958) 14.114 3.305 ( 0.337 3.346 -6.005) 6.883 3.679 ( -2.302 0.917 -3.826) 4.558 4.262 ( 7.773 -5.944 -3.500) 10.392 4.488 ( 2.455 3.441 7.510) 8.618 4.544 ( 1.126 7.673 3.749) 8.614 5.012 ( 4.577 -1.286 -4.776) 6.739 5.136 ( -4.090 3.723 -1.560) 5.747 5.356 ( -16.603 -2.810 -3.047) 17.113 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 2.729 3.535 0.288) 4.475 2.479 ( -0.700 11.139 1.876) 11.317 2.747 ( 7.214 -4.728 4.229) 9.607 3.291 ( 2.638 2.899 5.666) 6.889 3.440 ( 4.562 4.123 -4.801) 7.802 3.693 ( 7.572 4.455 -4.801) 10.011 4.293 ( 5.441 -8.913 -7.926) 13.110 4.489 ( -3.262 2.593 6.997) 8.144 4.659 ( -3.109 7.052 -0.953) 7.765 4.959 ( -11.950 -3.935 3.151) 12.970 5.053 ( 4.332 -2.712 -3.209) 6.035 5.216 ( -1.883 3.398 -1.492) 4.161 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -0.039 1.860 0.519) 1.932 2.527 ( -3.977 8.418 1.761) 9.475 2.806 ( 2.910 -5.674 0.032) 6.377 3.303 ( -4.426 -3.267 0.724) 5.549 3.513 ( -0.544 15.330 -0.503) 15.348 3.989 ( 16.862 6.782 -1.780) 18.262 4.207 ( 0.280 -10.072 -7.998) 12.864 4.491 ( -5.005 0.987 2.652) 5.750 4.542 ( -6.029 0.506 2.071) 6.395 4.848 ( -2.712 -1.372 2.628) 4.017 5.098 ( 3.443 -0.973 -0.241) 3.586 5.225 ( 0.354 0.499 -0.576) 0.841 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -2.595 0.578 0.018) 2.659 2.535 ( -5.938 8.099 2.584) 10.369 2.720 ( -3.702 -7.791 -3.277) 9.227 3.187 ( -4.418 -1.293 -1.875) 4.970 3.652 ( -1.670 13.507 1.874) 13.738 3.985 ( -6.205 -8.715 -3.188) 11.164 4.315 ( -4.011 5.603 -0.618) 6.919 4.461 ( 12.960 4.567 -4.803) 14.556 4.558 ( 5.334 -4.856 7.298) 10.262 4.778 ( -4.352 -2.229 1.082) 5.008 5.139 ( 2.116 0.011 -0.190) 2.125 5.228 ( 0.509 -1.432 0.365) 1.563 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -3.281 0.000 0.000) 3.281 2.425 ( -13.026 0.000 0.000) 13.026 2.622 ( -1.155 0.000 0.000) 1.155 3.134 ( -1.073 0.000 0.000) 1.073 3.685 ( -4.820 0.000 0.000) 4.820 3.816 ( -5.186 0.000 0.000) 5.186 4.246 ( -4.327 0.000 0.000) 4.327 4.537 ( -0.409 0.000 0.000) 0.409 4.606 ( -9.230 0.000 0.000) 9.230 4.884 ( 19.222 -0.000 -0.000) 19.222 5.178 ( 2.840 -0.000 -0.000) 2.840 5.212 ( -1.366 0.000 0.000) 1.366 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.000 7.510 -5.349) 9.220 1.768 ( 0.000 5.208 -4.603) 6.951 2.493 ( -0.000 5.637 4.397) 7.149 2.772 ( 0.000 -3.438 -5.758) 6.706 3.611 ( -0.000 -3.106 1.360) 3.391 3.715 ( 0.000 0.297 -7.102) 7.108 4.106 ( -0.000 -7.734 5.989) 9.781 4.131 ( -0.000 10.622 5.361) 11.898 4.290 ( -0.000 7.017 5.227) 8.749 4.940 ( 0.000 4.427 -5.458) 7.028 5.207 ( 0.000 4.528 -1.929) 4.922 5.959 ( 0.000 -5.252 -1.681) 5.515 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -1.854 3.755 -5.290) 6.747 1.901 ( 10.624 4.774 -3.861) 12.270 2.652 ( 8.498 6.227 6.716) 12.494 2.706 ( 1.589 -7.929 -5.276) 9.656 3.479 ( -7.179 -5.185 -1.845) 9.046 3.721 ( 0.943 1.242 -5.027) 5.263 4.063 ( 3.450 -6.415 1.149) 7.374 4.334 ( 3.202 14.154 10.720) 18.042 4.418 ( 5.158 4.700 4.467) 8.285 4.956 ( -0.389 3.099 -6.115) 6.866 5.235 ( -1.748 5.406 -1.890) 5.988 5.827 ( -8.228 -5.711 -2.566) 10.339 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 2.909 3.070 -2.057) 4.704 2.170 ( 15.731 5.775 -0.286) 16.760 2.629 ( 1.477 -8.008 -2.380) 8.483 2.932 ( 14.109 4.662 5.724) 15.924 3.332 ( -4.175 -2.723 -2.192) 5.445 3.723 ( -1.022 2.913 -5.255) 6.095 4.078 ( 5.025 -6.080 -1.263) 7.989 4.522 ( 2.632 5.481 8.661) 10.582 4.580 ( 4.680 9.103 5.046) 11.412 4.950 ( 0.175 0.736 -6.633) 6.676 5.237 ( -3.370 4.501 -1.434) 5.803 5.572 ( -14.033 -5.193 -2.777) 15.218 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 4.279 2.274 0.044) 4.846 2.502 ( 12.999 7.800 1.802) 15.266 2.600 ( 3.986 -5.587 0.357) 6.872 3.218 ( 12.531 1.455 5.700) 13.843 3.295 ( 3.937 -0.699 -2.105) 4.519 3.721 ( -1.575 5.989 -5.304) 8.153 4.093 ( 5.170 -7.493 -3.886) 9.898 4.594 ( -2.306 4.020 6.221) 7.758 4.732 ( 2.517 5.668 2.289) 6.610 4.955 ( 2.555 0.097 -4.844) 5.477 5.144 ( -11.912 -2.736 -0.066) 12.222 5.318 ( -8.034 0.512 -1.676) 8.223 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 2.545 1.079 0.390) 2.792 2.619 ( 1.904 2.247 -0.994) 3.108 2.714 ( 3.720 -0.098 2.806) 4.661 3.329 ( 0.618 -0.996 3.702) 3.883 3.506 ( 16.590 3.372 -2.064) 17.054 3.795 ( 5.214 6.974 -1.134) 8.782 4.069 ( 2.504 -8.418 -4.768) 9.993 4.578 ( -4.040 2.318 3.079) 5.584 4.757 ( -10.588 4.960 -3.047) 12.083 4.860 ( -4.492 -6.464 2.448) 8.244 5.036 ( 3.381 0.371 -0.154) 3.404 5.255 ( -2.709 1.193 -0.510) 3.004 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -0.415 0.000 0.000) 0.415 2.666 ( 0.002 -0.000 -0.000) 0.002 2.696 ( -2.758 0.000 0.000) 2.758 3.271 ( -5.819 0.000 0.000) 5.819 3.736 ( 3.649 -0.000 -0.000) 3.649 4.000 ( -3.095 0.000 0.000) 3.095 4.062 ( 23.008 -0.000 -0.000) 23.008 4.515 ( -11.207 0.000 0.000) 11.207 4.559 ( -3.135 0.000 0.000) 3.135 4.826 ( -1.635 0.000 0.000) 1.635 5.095 ( 3.085 -0.000 -0.000) 3.085 5.228 ( -1.006 0.000 0.000) 1.006 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.000 0.448 -6.678) 6.693 1.787 ( 0.000 0.964 -5.074) 5.164 2.605 ( 0.000 -9.342 -2.532) 9.679 2.648 ( -0.000 5.936 4.934) 7.718 3.489 ( 0.000 -6.210 -1.140) 6.314 3.686 ( 0.000 0.588 -4.829) 4.864 3.999 ( -0.000 -2.977 1.766) 3.461 4.434 ( -0.000 4.813 3.447) 5.920 4.489 ( -0.000 14.344 11.654) 18.482 4.969 ( 0.000 2.383 -6.979) 7.375 5.296 ( 0.000 4.986 -1.488) 5.203 5.830 ( 0.000 -6.256 -2.701) 6.814 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.920 0.252 -3.045) 3.191 1.917 ( 14.460 0.300 -3.770) 14.946 2.515 ( 0.888 -7.732 -2.433) 8.155 2.799 ( 9.391 4.276 4.775) 11.370 3.383 ( -5.222 -2.890 -0.931) 6.041 3.709 ( 2.539 0.819 -4.103) 4.894 3.989 ( 0.978 -2.479 1.022) 2.854 4.517 ( 3.765 3.309 2.737) 5.711 4.662 ( 0.980 10.655 10.964) 15.320 4.952 ( -1.082 1.161 -7.900) 8.058 5.318 ( -1.885 3.601 -1.050) 4.198 5.696 ( -7.748 -5.464 -2.424) 9.786 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 4.520 0.699 -0.336) 4.586 2.230 ( 21.679 1.168 -0.273) 21.712 2.487 ( 3.481 -3.685 -1.917) 5.419 3.042 ( 12.901 2.352 3.734) 13.635 3.281 ( -3.631 -1.340 -0.612) 3.919 3.748 ( 1.855 2.222 -3.525) 4.562 3.982 ( 1.073 -3.021 0.117) 3.209 4.632 ( 5.089 2.811 2.227) 6.225 4.756 ( -2.153 2.436 5.843) 6.687 4.933 ( 0.896 2.224 -5.311) 5.827 5.283 ( -5.683 0.736 -0.519) 5.754 5.474 ( -11.681 -2.622 -1.306) 12.042 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 4.580 -0.000 -0.000) 4.580 2.543 ( 5.128 -0.000 -0.000) 5.128 2.586 ( 16.281 -0.000 -0.000) 16.281 3.254 ( 8.857 -0.000 -0.000) 8.857 3.275 ( 6.372 -0.000 -0.000) 6.372 3.793 ( 2.134 -0.000 -0.000) 2.134 3.979 ( 1.469 -0.000 -0.000) 1.469 4.684 ( -5.747 0.000 0.000) 5.747 4.753 ( 5.482 -0.000 -0.000) 5.482 4.981 ( 3.026 -0.000 -0.000) 3.026 5.084 ( -16.574 0.000 0.000) 16.574 5.324 ( -5.093 0.000 0.000) 5.093 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 -1.420 -2.879) 3.210 1.770 ( 0.000 0.028 -1.976) 1.976 2.443 ( 0.000 -4.708 -0.927) 4.798 2.754 ( -0.000 2.313 1.924) 3.008 3.411 ( 0.000 -1.540 -0.371) 1.584 3.674 ( 0.000 0.294 -1.706) 1.731 3.973 ( -0.000 -0.765 0.633) 0.993 4.514 ( -0.000 1.719 1.203) 2.098 4.786 ( -0.000 7.884 10.956) 13.498 4.938 ( 0.000 -0.682 -8.915) 8.942 5.359 ( 0.000 1.927 -0.557) 2.006 5.711 ( 0.000 -3.507 -1.476) 3.805 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 2.918 -0.000 -0.000) 2.918 1.902 ( 15.292 -0.000 -0.000) 15.292 2.425 ( 1.188 -0.000 -0.000) 1.188 2.858 ( 9.834 -0.000 -0.000) 9.834 3.355 ( -4.861 0.000 0.000) 4.861 3.704 ( 2.969 -0.000 -0.000) 2.969 3.969 ( -0.203 0.000 0.000) 0.203 4.560 ( 4.091 -0.000 -0.000) 4.091 4.839 ( -2.665 0.000 0.000) 2.665 4.910 ( 1.116 -0.000 -0.000) 1.116 5.350 ( -2.165 0.000 0.000) 2.165 5.626 ( -7.512 0.000 0.000) 7.512 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.202 ( -0.000 0.000 20.868) 20.868 0.202 ( -0.000 0.000 20.868) 20.868 0.331 ( -0.000 0.000 34.198) 34.198 2.791 ( 0.000 -0.000 -2.822) 2.822 2.791 ( 0.000 -0.000 -2.822) 2.822 3.450 ( -0.000 0.000 2.417) 2.417 3.450 ( -0.000 0.000 2.417) 2.417 3.983 ( 0.000 -0.000 -0.756) 0.756 3.983 ( 0.000 -0.000 -0.756) 0.756 5.035 ( 0.000 -0.000 -6.247) 6.247 5.963 ( -0.000 0.000 4.293) 4.293 6.550 ( -0.000 0.000 0.005) 0.005 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 8.444 4.875 11.957) 15.428 0.453 ( 13.995 8.080 9.470) 18.730 0.923 ( 30.164 17.415 14.527) 37.738 2.802 ( -0.608 -0.351 0.725) 1.009 2.822 ( 5.386 3.110 -6.252) 8.818 3.452 ( 1.738 1.003 -1.285) 2.383 3.593 ( 8.512 4.914 6.166) 11.602 4.019 ( 1.689 0.975 1.831) 2.675 4.474 ( 11.574 6.682 -19.830) 23.913 5.030 ( 0.706 0.407 -6.229) 6.282 5.914 ( -5.132 -2.963 1.698) 6.165 6.125 ( -15.347 -8.860 14.174) 22.692 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 14.785 8.536 0.912) 17.096 0.803 ( 14.988 8.653 3.789) 17.717 1.607 ( 27.138 15.668 4.162) 31.612 2.776 ( -2.114 -1.220 3.561) 4.318 2.969 ( 9.216 5.321 -4.430) 11.527 3.510 ( 4.091 2.362 -4.805) 6.738 3.856 ( 11.739 6.777 9.672) 16.651 4.067 ( 1.718 0.992 3.849) 4.331 4.582 ( 4.293 2.479 -7.056) 8.624 5.026 ( 0.622 0.359 -4.448) 4.506 5.700 ( -15.541 -8.973 4.236) 18.439 5.894 ( -7.370 -4.255 -2.099) 8.765 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 15.941 9.204 -4.609) 18.975 1.138 ( 14.153 8.171 0.165) 16.343 2.125 ( 18.898 10.911 -5.544) 22.515 2.738 ( -2.409 -1.391 5.165) 5.866 3.225 ( 14.186 8.191 3.904) 16.840 3.594 ( 4.993 2.883 -7.400) 9.381 4.118 ( 1.465 0.846 5.163) 5.433 4.126 ( 8.196 4.732 11.524) 14.912 4.666 ( 4.580 2.644 -1.018) 5.386 5.030 ( 0.546 0.315 -3.395) 3.453 5.302 ( -19.649 -11.344 4.491) 23.128 5.730 ( -5.728 -3.307 -11.958) 13.666 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 14.104 8.143 -6.951) 17.707 1.432 ( 12.388 7.152 -2.781) 14.572 2.442 ( 12.634 7.294 -8.401) 16.835 2.703 ( -2.353 -1.358 6.033) 6.617 3.612 ( 17.248 9.958 10.242) 22.395 3.681 ( 5.072 2.928 -8.972) 10.714 4.165 ( 1.142 0.659 5.919) 6.064 4.263 ( 0.402 0.232 12.360) 12.368 4.697 ( -10.498 -6.061 8.625) 14.877 4.926 ( -2.088 -1.205 -5.698) 6.187 5.064 ( -0.799 -0.461 -2.181) 2.368 5.566 ( -4.374 -2.525 -16.534) 17.288 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 10.719 6.188 -6.482) 13.972 1.670 ( 9.885 5.707 -5.003) 12.463 2.670 ( -2.364 -1.365 6.506) 7.056 2.687 ( 11.884 6.861 -5.328) 14.721 3.761 ( 4.610 2.662 -9.263) 10.684 3.993 ( 9.636 5.563 12.204) 16.515 4.207 ( 0.838 0.484 6.226) 6.301 4.209 ( -6.293 -3.633 4.969) 8.803 4.389 ( -12.526 -7.232 13.620) 19.867 5.000 ( 1.072 0.619 -9.329) 9.410 5.039 ( 3.646 2.105 -4.892) 6.454 5.458 ( -0.879 -0.508 -11.850) 11.893 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 6.594 3.807 -4.345) 8.766 1.841 ( 6.991 4.036 -5.843) 9.965 2.637 ( -2.433 -1.405 6.309) 6.907 2.944 ( 11.962 6.906 -3.960) 14.368 3.827 ( 3.762 2.172 -8.075) 9.169 3.838 ( -12.991 -7.500 0.689) 15.016 4.195 ( -10.614 -6.128 13.930) 18.554 4.240 ( 0.280 0.161 5.992) 6.001 4.376 ( 9.506 5.488 7.201) 13.128 4.922 ( -1.432 -0.827 -11.663) 11.780 5.173 ( 6.780 3.914 -1.978) 8.075 5.427 ( -0.279 -0.161 -5.239) 5.249 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 2.454 1.417 -2.626) 3.863 1.947 ( 3.944 2.277 -4.546) 6.435 2.600 ( -2.441 -1.409 4.653) 5.440 3.153 ( 6.792 3.922 -8.378) 11.476 3.619 ( -4.969 -2.869 -2.180) 6.138 3.878 ( 2.749 1.587 -5.737) 6.557 3.996 ( -9.119 -5.265 8.414) 13.478 4.253 ( -0.846 -0.488 5.186) 5.278 4.525 ( 1.673 0.966 1.510) 2.452 4.914 ( 2.946 1.701 0.163) 3.406 5.315 ( 5.579 3.221 1.303) 6.572 5.389 ( -1.967 -1.136 -3.150) 3.884 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -0.728 -0.420 -1.451) 1.677 1.985 ( 0.091 0.052 -1.111) 1.116 2.560 ( -1.786 -1.031 1.038) 2.309 3.136 ( -4.549 -2.626 -10.587) 11.818 3.625 ( 4.585 2.647 -1.937) 5.638 3.899 ( -0.040 -0.023 0.241) 0.246 3.913 ( 1.603 0.925 -2.919) 3.456 4.232 ( -2.305 -1.331 3.820) 4.656 4.469 ( -5.679 -3.279 -2.974) 7.201 5.030 ( 4.608 2.661 9.874) 11.216 5.302 ( -4.166 -2.405 -0.917) 4.897 5.445 ( 4.637 2.677 3.468) 6.379 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -3.815 -2.203 1.005) 4.518 1.932 ( -5.268 -3.041 2.755) 6.678 2.536 ( 0.080 0.046 -3.384) 3.385 2.963 ( -7.699 -4.445 -3.192) 9.446 3.767 ( 8.645 4.991 -5.794) 11.541 3.929 ( 0.060 0.035 0.165) 0.179 3.962 ( 5.406 3.121 -7.689) 9.903 4.176 ( -3.309 -1.910 1.513) 4.109 4.276 ( -9.785 -5.649 -3.292) 11.769 5.135 ( 1.391 0.803 8.790) 8.936 5.196 ( -5.067 -2.925 -0.121) 5.852 5.567 ( 4.746 2.740 9.096) 10.619 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -8.854 -5.112 3.341) 10.756 1.766 ( -10.449 -6.033 4.466) 12.866 2.543 ( 1.769 1.021 -6.148) 6.479 2.801 ( -7.110 -4.105 5.384) 9.817 3.794 ( -9.506 -5.488 -7.839) 13.488 3.911 ( -2.362 -1.364 4.029) 4.865 4.032 ( 2.359 1.362 -10.900) 11.235 4.103 ( -2.881 -1.663 -2.458) 4.137 4.221 ( 11.801 6.814 -4.582) 14.377 5.067 ( -5.828 -3.365 -0.017) 6.729 5.153 ( -1.626 -0.939 4.959) 5.302 5.714 ( 4.921 2.841 12.960) 14.151 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -14.121 -8.153 3.553) 16.688 1.503 ( -14.063 -8.120 4.339) 16.809 2.571 ( 2.604 1.504 -7.186) 7.790 2.628 ( -12.702 -7.333 9.698) 17.583 3.474 ( -13.279 -7.667 -3.455) 15.718 3.845 ( -5.071 -2.928 7.123) 9.221 4.020 ( -0.977 -0.564 -11.700) 11.755 4.041 ( -1.363 -0.787 -6.210) 6.406 4.534 ( 12.502 7.218 -7.578) 16.305 4.984 ( 1.554 0.897 -0.044) 1.795 5.120 ( -2.096 -1.210 3.341) 4.126 5.854 ( 3.675 2.122 12.428) 13.133 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -17.243 -9.955 3.209) 20.168 1.174 ( -16.284 -9.402 3.898) 19.203 2.221 ( -25.438 -14.687 4.405) 29.702 2.613 ( 3.269 1.887 -7.337) 8.251 3.252 ( -7.658 -4.421 6.363) 10.894 3.739 ( -6.247 -3.606 7.305) 10.266 3.893 ( -6.901 -3.984 -11.997) 14.403 3.999 ( -0.495 -0.286 -6.883) 6.907 4.613 ( -0.247 -0.143 -5.059) 5.067 5.069 ( -0.636 -0.367 -1.482) 1.655 5.258 ( 17.057 9.848 1.281) 19.737 5.953 ( 1.995 1.152 9.992) 10.254 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -17.529 -10.120 3.857) 20.605 0.808 ( -17.412 -10.053 4.400) 20.582 1.569 ( -32.475 -18.750 1.607) 37.534 2.671 ( 3.863 2.231 -6.819) 8.148 3.106 ( -8.647 -4.992 8.663) 13.219 3.620 ( -6.101 -3.523 6.352) 9.486 3.672 ( -8.541 -4.931 -9.078) 13.404 3.974 ( 0.059 0.034 -5.677) 5.678 4.598 ( 0.560 0.323 -5.011) 5.052 5.054 ( -0.055 -0.032 -1.139) 1.141 5.646 ( 15.756 9.097 -0.608) 18.204 6.012 ( 0.844 0.487 8.477) 8.533 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -0.000 11.706 13.562) 17.915 0.545 ( -0.000 16.326 13.657) 21.284 0.939 ( -0.000 32.439 15.848) 36.103 2.679 ( 0.000 -5.164 -6.533) 8.328 2.933 ( -0.000 12.893 -0.018) 12.893 3.484 ( 0.000 3.044 -0.410) 3.071 3.567 ( -0.000 6.311 5.877) 8.623 3.932 ( 0.000 -2.120 -3.989) 4.518 4.410 ( 0.000 12.727 -15.559) 20.101 5.005 ( 0.000 0.973 -8.146) 8.204 5.916 ( -0.000 -8.156 4.381) 9.258 6.235 ( -0.000 -12.279 12.739) 17.694 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 2.297 13.819 8.666) 16.473 0.791 ( 5.289 17.568 7.952) 19.996 1.459 ( 16.394 27.939 7.416) 33.232 2.681 ( 7.342 -4.898 -4.898) 10.094 3.028 ( -4.120 13.681 2.120) 14.444 3.502 ( 0.067 4.761 -3.402) 5.852 3.758 ( 10.330 6.807 7.728) 14.587 3.976 ( 6.985 -3.708 -1.194) 7.997 4.499 ( 4.691 4.265 -9.733) 11.616 4.995 ( 0.992 0.389 -7.331) 7.408 5.779 ( -5.861 -13.073 4.014) 14.878 6.057 ( -12.416 -3.848 5.732) 14.206 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 8.914 13.397 0.462) 16.098 1.086 ( 7.584 16.217 3.697) 18.280 1.971 ( 14.569 19.667 -2.769) 24.632 2.767 ( 4.591 0.433 1.310) 4.794 3.123 ( 3.617 8.601 4.698) 10.446 3.562 ( 2.407 6.354 -6.084) 9.120 4.019 ( 9.580 -0.942 3.161) 10.132 4.068 ( 7.334 1.673 8.526) 11.370 4.598 ( 6.002 3.641 -5.647) 9.009 5.001 ( 1.793 0.294 -5.373) 5.672 5.488 ( -13.532 -15.279 5.002) 21.014 5.825 ( -12.462 -1.085 -4.212) 13.200 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 11.516 11.042 -4.812) 16.665 1.373 ( 7.604 14.729 0.623) 16.587 2.309 ( 10.594 11.987 -7.636) 17.726 2.808 ( -4.124 5.711 4.102) 8.152 3.371 ( 15.686 1.265 4.920) 16.488 3.679 ( 4.562 10.754 -3.311) 12.142 4.080 ( 4.872 -7.272 3.730) 9.515 4.263 ( 5.834 2.038 10.143) 11.877 4.739 ( 6.006 5.867 -1.976) 8.625 5.005 ( -3.309 -2.445 -1.076) 4.253 5.116 ( -12.763 -8.904 2.532) 15.766 5.591 ( -9.628 -2.647 -12.764) 16.205 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 11.006 8.026 -6.515) 15.100 1.624 ( 6.087 13.533 -1.714) 14.937 2.556 ( 10.109 8.847 -4.586) 14.195 2.789 ( -6.018 6.173 4.264) 9.618 3.596 ( 11.770 -2.808 -5.591) 13.329 3.917 ( 8.037 6.721 7.574) 12.928 4.089 ( 4.554 -5.545 4.591) 8.518 4.357 ( 0.022 1.268 9.874) 9.955 4.659 ( -18.443 -3.817 8.917) 20.838 4.930 ( 6.026 4.587 -6.074) 9.708 5.032 ( -3.018 -0.400 -5.011) 5.863 5.407 ( -1.899 -3.547 -13.823) 14.397 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 8.612 4.712 -5.677) 11.340 1.823 ( 3.549 12.185 -3.217) 13.092 2.748 ( -3.737 4.935 7.393) 9.642 2.816 ( 8.618 8.723 -5.058) 13.264 3.713 ( 7.718 -1.657 -8.277) 11.437 3.872 ( -4.575 -13.734 3.170) 14.819 4.295 ( 6.792 7.412 5.369) 11.398 4.362 ( -3.816 1.164 13.515) 14.092 4.409 ( -12.048 2.868 7.170) 14.311 4.898 ( -3.516 -2.261 -12.692) 13.363 5.083 ( 6.891 3.863 -3.385) 8.595 5.371 ( 3.021 -2.714 -5.950) 7.204 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 5.239 1.305 -4.216) 6.850 1.957 ( 0.860 10.091 -3.366) 10.672 2.730 ( -6.461 6.855 5.417) 10.866 3.031 ( 8.758 4.625 -6.431) 11.809 3.624 ( -4.601 -11.035 -2.887) 12.299 3.825 ( 4.152 3.063 -6.363) 8.192 4.176 ( -12.344 -3.044 8.850) 15.491 4.343 ( -4.962 4.144 5.407) 8.428 4.516 ( 3.066 4.379 3.293) 6.278 4.852 ( 3.958 -0.892 -3.055) 5.079 5.229 ( 7.372 2.358 -0.149) 7.741 5.367 ( 1.041 -3.165 -3.262) 4.663 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 2.212 -1.366 -3.222) 4.140 2.028 ( -1.579 7.400 -2.031) 7.834 2.690 ( -8.200 6.911 3.153) 11.178 3.102 ( 1.115 -1.000 -12.843) 12.930 3.522 ( 3.587 -5.358 -2.720) 6.998 3.901 ( 1.738 4.526 -2.849) 5.624 4.000 ( -8.327 1.572 2.573) 8.856 4.313 ( -4.344 2.086 4.981) 6.930 4.526 ( -3.691 0.094 -1.754) 4.088 4.973 ( 7.610 0.668 8.756) 11.620 5.314 ( -1.229 -4.265 -0.961) 4.541 5.371 ( 6.471 0.780 1.057) 6.603 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.081 -2.793 -1.727) 3.285 2.027 ( -5.148 3.899 0.556) 6.482 2.616 ( -7.000 4.536 -0.669) 8.368 3.018 ( -4.308 -1.228 -9.197) 10.230 3.581 ( 9.084 -3.410 -4.473) 10.684 3.921 ( -0.917 1.435 -0.703) 1.842 3.981 ( -1.123 6.375 -2.197) 6.836 4.272 ( -4.307 2.757 2.136) 5.541 4.401 ( -9.665 -1.172 -1.807) 9.902 5.121 ( 4.712 -0.024 9.793) 10.868 5.230 ( -3.077 -3.954 -1.469) 5.221 5.494 ( 7.329 -1.194 6.116) 9.620 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -3.919 -4.413 0.895) 5.969 1.921 ( -10.286 -0.470 2.843) 10.682 2.562 ( -2.989 3.467 -3.774) 5.933 2.911 ( -5.934 1.552 -0.824) 6.189 3.695 ( 8.425 -5.928 -5.657) 11.753 3.895 ( -1.292 -3.905 -1.689) 4.447 4.012 ( 0.059 4.997 -4.854) 6.967 4.191 ( -11.464 -1.553 0.547) 11.581 4.274 ( -1.747 10.704 -2.394) 11.106 5.123 ( -4.649 -3.291 -1.264) 5.835 5.176 ( -0.227 -1.510 5.398) 5.610 5.643 ( 8.682 -1.824 10.486) 13.736 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -10.706 -6.659 2.092) 12.780 1.701 ( -14.208 -3.458 3.324) 14.996 2.551 ( -0.798 2.436 -4.359) 5.057 2.837 ( -8.823 4.371 5.848) 11.452 3.552 ( -9.325 -13.025 -4.267) 16.577 3.881 ( 2.839 -2.063 -2.743) 4.454 4.022 ( -5.099 -3.284 0.766) 6.113 4.030 ( -2.817 3.238 -5.530) 7.001 4.452 ( 8.008 15.480 -5.414) 18.250 5.002 ( -4.563 -2.822 -0.913) 5.442 5.150 ( -1.902 -1.782 2.639) 3.709 5.797 ( 7.598 -2.185 10.389) 13.055 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -16.044 -7.980 1.951) 18.025 1.411 ( -16.951 -4.150 3.196) 17.742 2.486 ( -11.156 -5.177 0.256) 12.302 2.691 ( -12.253 7.721 -0.932) 14.513 3.295 ( -4.921 -10.262 2.778) 11.715 3.851 ( -5.089 -0.563 0.712) 5.170 3.941 ( -2.935 -1.645 0.004) 3.365 3.963 ( -2.639 -0.701 -8.483) 8.912 4.645 ( -1.132 6.976 -5.413) 8.901 5.024 ( 8.579 3.711 -3.736) 10.067 5.125 ( 2.545 -0.443 4.092) 4.840 5.912 ( 5.467 -2.867 7.683) 9.856 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -18.363 -7.202 2.018) 19.827 1.080 ( -19.102 -3.545 3.351) 19.715 2.017 ( -32.047 -7.052 1.497) 32.848 2.670 ( -0.942 7.104 -5.150) 8.825 3.164 ( -3.929 -8.636 7.115) 11.859 3.728 ( -6.850 -3.027 -7.178) 10.373 3.798 ( -10.996 2.416 5.358) 12.468 3.955 ( 1.058 0.940 -3.406) 3.689 4.614 ( -2.961 2.506 -4.084) 5.633 5.054 ( -0.629 0.188 -2.566) 2.649 5.421 ( 19.203 5.201 1.418) 19.945 5.975 ( 3.765 -4.045 4.690) 7.248 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -0.000 15.795 7.919) 17.669 0.953 ( -0.000 17.539 9.748) 20.066 1.658 ( -0.000 33.511 6.047) 34.052 2.536 ( 0.000 -4.760 -6.671) 8.195 3.248 ( -0.000 16.755 4.358) 17.312 3.545 ( 0.000 3.677 -2.349) 4.363 3.740 ( -0.000 6.665 5.286) 8.507 3.862 ( 0.000 -0.984 -5.039) 5.134 4.472 ( 0.000 3.289 -6.291) 7.099 4.964 ( 0.000 0.192 -8.061) 8.063 5.694 ( -0.000 -17.265 4.996) 17.973 6.149 ( -0.000 -4.059 4.799) 6.285 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -0.227 16.385 4.149) 16.904 1.181 ( 3.467 17.186 6.597) 18.732 2.025 ( 4.663 26.582 -1.524) 27.030 2.588 ( 11.933 -1.094 -2.805) 12.307 3.322 ( -9.002 11.303 8.261) 16.645 3.579 ( 1.223 6.895 -5.435) 8.865 3.848 ( 6.941 -2.252 -4.186) 8.412 3.981 ( 9.468 5.527 7.825) 13.469 4.520 ( 4.470 2.962 -4.897) 7.262 4.951 ( 1.447 -0.208 -7.370) 7.514 5.487 ( -5.301 -18.612 4.644) 19.902 6.030 ( -10.834 -1.696 0.731) 10.991 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 3.530 14.685 -1.206) 15.151 1.433 ( 5.057 16.314 4.139) 17.574 2.287 ( 4.999 15.790 -6.924) 17.952 2.842 ( 11.884 6.507 -0.485) 13.558 3.284 ( -4.599 2.658 7.223) 8.966 3.702 ( 4.311 11.341 -2.023) 12.300 3.914 ( 6.676 -5.936 -1.798) 9.112 4.200 ( 7.213 2.427 9.221) 11.956 4.660 ( 8.643 5.770 -3.807) 11.067 4.956 ( 2.627 -2.751 -4.778) 6.107 5.209 ( -9.115 -14.099 3.353) 17.120 5.783 ( -15.905 -0.626 -4.888) 16.651 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 6.455 11.528 -4.324) 13.902 1.687 ( 4.843 16.120 2.774) 17.059 2.497 ( 6.852 11.622 -4.256) 14.147 2.988 ( -4.786 10.145 0.912) 11.254 3.331 ( 10.953 -5.352 -1.037) 12.235 3.863 ( 3.667 -2.593 0.767) 4.556 4.001 ( 7.734 7.351 5.112) 11.831 4.335 ( 5.160 0.048 6.379) 8.205 4.839 ( -2.595 -6.705 6.502) 9.693 4.870 ( 1.904 1.533 -4.703) 5.301 5.050 ( -0.258 0.474 -3.260) 3.304 5.474 ( -15.477 -1.712 -10.389) 18.719 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 6.739 8.267 -4.280) 11.492 1.914 ( 2.419 15.911 1.314) 16.148 2.716 ( 8.202 8.407 -0.132) 11.746 2.964 ( -7.677 8.976 2.227) 12.019 3.484 ( 12.872 -4.135 -6.368) 14.945 3.807 ( -0.988 -10.144 1.584) 10.314 4.274 ( 8.042 11.343 6.251) 15.245 4.425 ( 2.654 0.326 6.574) 7.097 4.613 ( -9.444 -6.468 5.019) 12.499 4.969 ( -6.037 1.728 -5.934) 8.640 5.030 ( 0.385 5.061 -4.317) 6.663 5.262 ( 0.802 -4.325 -7.601) 8.782 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 4.480 4.928 -3.022) 7.314 2.074 ( -0.945 14.078 -0.108) 14.110 2.907 ( 4.362 3.176 6.652) 8.566 2.958 ( -2.819 11.375 -4.915) 12.708 3.554 ( 0.003 -9.180 -2.703) 9.570 3.747 ( 5.363 1.213 -5.096) 7.497 4.373 ( -10.068 -2.041 7.647) 12.807 4.459 ( -0.790 2.904 6.244) 6.931 4.534 ( 2.080 3.507 -2.862) 4.982 4.803 ( -3.999 -0.216 -2.449) 4.694 5.135 ( 5.776 2.941 -1.440) 6.639 5.274 ( 4.341 -4.246 -3.115) 6.825 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 1.355 1.805 -2.238) 3.178 2.158 ( -3.311 11.208 -0.413) 11.694 2.930 ( -7.719 5.986 5.209) 11.070 3.036 ( 2.048 4.868 -10.313) 11.586 3.419 ( -0.521 -7.363 -3.291) 8.082 3.896 ( 5.518 8.033 -4.266) 10.638 4.184 ( -10.894 0.112 0.526) 10.907 4.423 ( -4.986 -0.175 5.483) 7.413 4.576 ( -0.362 2.750 -2.349) 3.634 4.859 ( 7.249 -0.841 7.901) 10.755 5.246 ( 4.603 -3.210 2.360) 6.088 5.280 ( 3.308 -1.382 -3.768) 5.200 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -0.443 -0.336 -2.154) 2.225 2.181 ( -5.561 8.420 0.514) 10.103 2.795 ( -9.939 -0.857 -1.031) 10.029 3.054 ( -2.518 6.150 -9.176) 11.330 3.416 ( 5.505 -1.737 -2.958) 6.486 3.983 ( -3.360 2.061 0.404) 3.962 4.074 ( -3.209 6.735 -3.568) 8.269 4.364 ( -3.494 1.043 2.819) 4.609 4.547 ( -6.341 3.041 -0.631) 7.061 5.022 ( 9.629 -2.727 10.863) 14.770 5.213 ( -0.636 -4.440 -2.149) 4.974 5.364 ( 6.362 -2.761 2.428) 7.347 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -1.486 -1.823 -1.231) 2.654 2.119 ( -10.153 4.135 1.965) 11.138 2.645 ( -5.222 -0.859 -2.163) 5.717 3.024 ( -4.362 5.997 -5.131) 9.017 3.508 ( 6.498 -0.200 -3.661) 7.461 3.897 ( -4.065 -3.715 -2.188) 5.925 4.087 ( -3.064 5.109 0.732) 6.002 4.348 ( -4.325 4.946 -1.408) 6.719 4.428 ( -8.619 3.795 -0.227) 9.420 5.148 ( -1.416 -1.951 -1.041) 2.626 5.153 ( 3.104 -2.536 5.285) 6.633 5.467 ( 10.042 -5.796 6.406) 13.246 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -5.945 -3.361 -0.246) 6.833 1.933 ( -14.409 -0.292 2.335) 14.600 2.589 ( -1.832 1.219 -1.070) 2.447 3.019 ( -3.624 8.833 -0.146) 9.549 3.519 ( -2.687 -8.604 -4.029) 9.873 3.800 ( 0.594 -3.354 -1.940) 3.919 4.078 ( -3.820 4.322 -2.881) 6.448 4.199 ( -11.441 0.064 3.859) 12.075 4.478 ( 3.539 10.483 -3.428) 11.583 5.064 ( -5.285 -1.057 -2.083) 5.778 5.161 ( -0.777 -2.242 1.972) 3.086 5.623 ( 11.664 -5.828 6.887) 14.746 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -12.821 -3.714 -0.447) 13.356 1.668 ( -16.190 -1.802 2.058) 16.419 2.563 ( -3.227 0.703 -1.506) 3.630 3.029 ( -11.517 11.760 2.517) 16.652 3.265 ( -6.702 -14.105 -1.774) 15.717 3.839 ( 4.421 -0.001 -1.062) 4.547 3.972 ( -8.079 -0.715 -4.541) 9.295 4.088 ( -6.136 2.372 4.942) 8.228 4.680 ( 7.518 9.401 -2.578) 12.310 4.956 ( -3.193 -0.917 -1.593) 3.685 5.124 ( -1.402 -1.595 0.293) 2.144 5.764 ( 9.333 -5.318 3.085) 11.176 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -17.437 -1.558 -1.118) 17.542 1.374 ( -17.692 -1.449 1.707) 17.833 2.405 ( -16.995 -1.546 -4.144) 17.561 2.828 ( -12.544 2.733 0.966) 12.875 3.162 ( -1.824 -2.226 4.286) 5.162 3.801 ( -7.853 -1.490 -7.071) 10.672 3.928 ( 3.752 2.283 0.577) 4.430 4.021 ( -7.971 3.869 8.100) 12.005 4.716 ( -6.481 2.732 -1.639) 7.222 5.052 ( 3.305 1.871 -4.741) 6.074 5.142 ( 13.335 -1.555 3.756) 13.941 5.847 ( 6.393 -5.267 -1.747) 8.466 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -0.000 15.849 2.787) 16.092 1.331 ( -0.000 15.820 5.409) 16.720 2.277 ( -0.000 27.855 -2.250) 27.946 2.429 ( 0.000 -2.226 -3.817) 4.419 3.546 ( -0.000 3.122 11.646) 12.057 3.637 ( 0.000 13.212 -3.863) 13.765 3.754 ( 0.000 -1.199 -7.374) 7.471 3.966 ( -0.000 7.994 6.052) 10.026 4.483 ( 0.000 0.233 -2.706) 2.716 4.910 ( 0.000 -0.862 -7.259) 7.310 5.364 ( -0.000 -17.343 3.672) 17.728 6.103 ( 0.000 -2.701 0.006) 2.701 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -1.408 14.244 -0.627) 14.327 1.520 ( 3.756 14.118 3.047) 14.924 2.382 ( -0.460 11.375 -3.668) 11.960 2.652 ( 13.633 9.406 -4.445) 17.149 3.499 ( -10.159 2.109 9.184) 13.856 3.739 ( 2.058 3.201 -5.896) 7.018 3.786 ( 3.807 7.987 0.416) 8.858 4.142 ( 6.424 4.435 7.997) 11.175 4.531 ( 8.189 -1.574 -1.660) 8.502 4.881 ( 0.579 -2.374 -5.689) 6.192 5.201 ( -3.724 -9.908 1.070) 10.639 5.987 ( -9.928 -2.268 -2.640) 10.520 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 1.303 11.577 -3.452) 12.151 1.755 ( 6.529 14.088 3.205) 15.855 2.523 ( 3.502 12.109 -1.171) 12.660 2.925 ( 14.563 2.477 -7.791) 16.700 3.350 ( -11.392 0.979 6.367) 13.087 3.758 ( 2.992 -4.125 -4.283) 6.657 4.005 ( 6.846 14.047 6.291) 16.846 4.262 ( 4.491 -0.992 5.178) 6.926 4.682 ( 10.776 -9.004 3.863) 14.564 4.852 ( 0.625 2.496 -4.929) 5.560 5.083 ( -3.801 0.034 -2.939) 4.805 5.728 ( -16.522 -1.743 -5.631) 17.542 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 4.333 9.315 -3.146) 10.744 2.017 ( 5.664 15.238 4.048) 16.753 2.692 ( 4.305 8.177 0.880) 9.283 3.155 ( 9.181 5.295 -7.289) 12.863 3.213 ( -2.094 -2.804 3.608) 5.027 3.729 ( 0.499 -6.161 -1.247) 6.306 4.286 ( 7.042 12.564 7.390) 16.188 4.342 ( 6.280 -1.609 -0.511) 6.503 4.641 ( -2.243 -10.555 6.202) 12.446 4.983 ( 7.370 5.611 -3.276) 9.825 5.042 ( -1.596 1.845 -4.010) 4.694 5.388 ( -18.453 -1.619 -7.105) 19.840 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 4.104 6.901 -1.599) 8.187 2.234 ( 0.482 14.852 3.122) 15.184 2.826 ( 6.106 0.448 2.666) 6.678 3.146 ( -4.804 9.060 0.458) 10.266 3.409 ( 11.839 0.550 -2.618) 12.138 3.662 ( 0.571 -4.000 -2.669) 4.843 4.414 ( 7.037 -4.742 -5.325) 10.018 4.504 ( -0.163 5.920 2.320) 6.360 4.514 ( -3.636 -1.029 7.937) 8.791 4.975 ( -10.619 1.401 -0.646) 10.731 5.119 ( 0.673 5.727 -3.235) 6.612 5.135 ( 2.186 -5.226 -3.468) 6.642 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.298 4.107 -0.508) 4.337 2.338 ( -3.811 11.873 1.789) 12.598 2.911 ( 4.383 -3.987 0.531) 5.949 3.203 ( -3.412 15.005 -1.036) 15.423 3.395 ( -5.160 -5.934 -0.759) 7.900 3.816 ( 12.540 8.547 -4.717) 15.892 4.322 ( -6.438 -4.972 -6.027) 10.124 4.506 ( -2.041 -1.218 1.460) 2.789 4.538 ( 1.140 1.065 3.835) 4.140 4.858 ( -3.801 1.966 4.865) 6.480 5.146 ( 4.309 -3.343 0.503) 5.477 5.202 ( 3.537 0.964 -2.671) 4.536 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -1.662 1.773 -0.523) 2.486 2.369 ( -5.403 9.923 1.825) 11.445 2.860 ( -3.751 -7.239 -2.864) 8.641 3.186 ( -7.426 3.969 -4.125) 9.376 3.378 ( 1.466 9.581 -0.874) 9.732 4.042 ( 1.139 5.180 -1.894) 5.632 4.170 ( -3.102 3.034 -7.783) 8.910 4.429 ( -3.278 -1.280 4.454) 5.676 4.619 ( 2.960 1.137 2.585) 4.091 4.867 ( 3.914 -4.411 7.255) 9.349 5.160 ( 1.527 -3.173 -1.584) 3.862 5.263 ( 3.870 -1.238 0.594) 4.106 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -2.653 0.358 -0.735) 2.776 2.347 ( -9.211 7.211 2.619) 11.987 2.689 ( -5.044 -5.822 -2.838) 8.209 3.118 ( -2.986 2.251 -2.859) 4.707 3.494 ( -0.071 11.029 -2.968) 11.422 3.930 ( -5.819 -5.742 -3.453) 8.874 4.201 ( -3.444 5.589 1.951) 6.848 4.430 ( -0.085 5.713 -2.763) 6.347 4.601 ( -7.777 1.422 1.314) 8.015 4.991 ( 13.466 -6.586 8.289) 17.129 5.145 ( -0.062 -0.363 -2.913) 2.936 5.299 ( 3.810 -5.082 2.048) 6.674 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -3.516 -0.488 -0.626) 3.604 2.189 ( -14.513 1.090 2.088) 14.703 2.613 ( -0.722 -0.450 0.602) 1.042 3.112 ( -0.467 3.890 -0.752) 3.990 3.535 ( -4.365 4.222 -4.773) 7.724 3.778 ( -3.039 -4.971 -2.294) 6.262 4.185 ( -3.744 3.123 3.348) 5.914 4.419 ( -12.644 0.429 2.896) 12.979 4.498 ( 1.405 4.728 -3.870) 6.269 5.125 ( 1.006 -1.024 -0.345) 1.476 5.139 ( 0.174 0.929 -0.382) 1.020 5.357 ( 12.038 -7.974 2.884) 14.725 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -7.821 -0.312 -1.675) 8.005 1.932 ( -15.975 -1.132 1.404) 16.077 2.611 ( -1.495 0.909 2.172) 2.789 3.151 ( 0.984 -1.314 0.585) 1.743 3.376 ( -12.376 2.427 -4.676) 13.451 3.768 ( 3.454 0.846 -0.516) 3.593 4.137 ( -9.116 2.519 0.049) 9.458 4.220 ( -7.834 -1.506 6.403) 10.230 4.594 ( 6.477 2.285 -0.695) 6.903 5.062 ( -7.209 1.288 -1.359) 7.449 5.126 ( -0.291 -1.151 -1.303) 1.762 5.524 ( 13.014 -4.969 -2.041) 14.079 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -13.409 1.850 -3.501) 13.982 1.654 ( -16.334 -0.743 0.565) 16.361 2.565 ( -6.016 1.009 -1.957) 6.406 2.976 ( -9.090 -12.976 -1.139) 15.884 3.319 ( -7.338 14.773 2.609) 16.700 3.870 ( 5.015 1.924 0.575) 5.402 3.944 ( -10.780 1.189 -1.538) 10.954 4.174 ( -3.677 1.498 9.320) 10.131 4.740 ( 9.400 -4.227 3.742) 10.965 4.949 ( -4.479 1.539 -2.393) 5.306 5.101 ( -1.276 -0.201 -2.002) 2.382 5.655 ( 9.163 -3.510 -7.983) 12.649 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 12.201 -2.573) 12.469 1.605 ( 0.000 10.402 -1.191) 10.470 2.423 ( -0.000 2.553 2.181) 3.358 2.653 ( 0.000 13.663 -9.016) 16.370 3.637 ( -0.000 1.404 9.955) 10.054 3.688 ( 0.000 -0.234 -7.806) 7.810 3.908 ( -0.000 12.144 6.088) 13.584 4.161 ( -0.000 7.888 5.543) 9.640 4.377 ( 0.000 -11.897 0.661) 11.916 4.856 ( 0.000 1.246 -5.441) 5.582 5.166 ( 0.000 -3.039 -1.424) 3.356 6.033 ( 0.000 -3.491 -3.523) 4.959 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -1.907 8.999 -4.889) 10.417 1.752 ( 7.269 9.261 -1.827) 11.914 2.545 ( 7.068 7.044 5.012) 11.167 2.744 ( 4.191 2.962 -9.249) 10.578 3.559 ( -9.819 -2.092 4.117) 10.851 3.690 ( 1.021 0.291 -3.714) 3.863 4.079 ( 3.568 14.470 7.061) 16.491 4.212 ( 0.623 -3.942 5.051) 6.437 4.413 ( 11.858 -5.462 3.963) 13.644 4.864 ( 0.038 4.001 -5.304) 6.644 5.137 ( -2.183 2.433 -3.148) 4.538 5.905 ( -9.105 -3.646 -5.157) 11.081 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 2.091 7.426 -3.647) 8.533 2.009 ( 11.473 10.462 0.723) 15.543 2.717 ( 1.177 3.427 1.285) 3.845 2.871 ( 15.365 0.512 -1.835) 15.482 3.374 ( -8.913 -1.919 0.963) 9.168 3.685 ( -0.355 -0.637 -2.991) 3.079 4.204 ( 4.627 -6.431 -0.159) 7.924 4.337 ( 5.492 14.230 8.863) 17.641 4.546 ( 6.043 -3.929 5.872) 9.298 4.906 ( 2.910 2.816 -5.069) 6.488 5.121 ( -3.048 5.587 -3.743) 7.383 5.641 ( -15.500 -3.233 -6.090) 16.964 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 4.356 6.237 -1.265) 7.712 2.310 ( 8.957 12.106 2.798) 15.318 2.731 ( 3.435 -5.046 1.262) 6.234 3.179 ( 16.084 4.368 2.947) 16.925 3.272 ( -2.810 2.557 -0.866) 3.896 3.644 ( -2.198 -0.843 -3.245) 4.009 4.223 ( 5.912 -7.183 -3.918) 10.094 4.565 ( 2.849 9.382 6.675) 11.862 4.576 ( -1.052 0.945 4.182) 4.414 4.968 ( 5.419 -1.886 -4.275) 7.155 5.118 ( -3.156 4.852 -2.183) 6.186 5.319 ( -16.050 -1.382 -4.746) 16.794 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 2.939 4.084 0.171) 5.034 2.496 ( -0.533 9.749 1.627) 9.898 2.780 ( 6.305 -4.648 2.533) 8.233 3.331 ( 2.674 8.102 2.428) 8.871 3.420 ( 3.088 -0.697 0.911) 3.294 3.650 ( 8.587 5.731 -3.961) 11.057 4.219 ( 3.933 -8.548 -7.281) 11.898 4.547 ( -3.348 1.366 5.044) 6.206 4.648 ( -4.905 5.501 -1.240) 7.473 4.983 ( -8.801 -4.050 1.651) 9.827 5.032 ( 5.009 -1.111 -0.935) 5.215 5.199 ( -1.290 4.120 -2.028) 4.770 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -0.217 1.924 0.406) 1.978 2.546 ( -3.440 8.321 2.106) 9.247 2.801 ( 1.165 -6.280 -1.016) 6.467 3.304 ( -7.268 -3.055 -0.198) 7.887 3.517 ( 0.620 16.473 0.862) 16.507 3.971 ( 16.770 8.116 -2.112) 18.750 4.129 ( -0.441 -8.736 -8.047) 11.885 4.513 ( -6.785 -0.076 2.199) 7.132 4.571 ( -0.769 -0.275 3.563) 3.655 4.869 ( -3.052 -2.988 1.741) 4.612 5.097 ( 3.305 -0.673 -0.202) 3.379 5.220 ( 0.836 0.913 -0.273) 1.268 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -2.794 0.612 0.091) 2.862 2.565 ( -5.763 8.283 3.497) 10.679 2.691 ( -4.130 -7.666 -2.799) 9.147 3.179 ( -4.723 -0.079 0.406) 4.741 3.653 ( -2.707 14.157 -1.561) 14.498 3.949 ( -5.522 -7.149 -4.183) 9.955 4.305 ( 2.989 9.606 -2.617) 10.395 4.422 ( 2.828 -1.046 -1.775) 3.499 4.632 ( 7.893 -4.260 7.927) 11.970 4.789 ( -2.693 -4.384 1.147) 5.271 5.128 ( 1.370 0.597 -2.032) 2.523 5.236 ( 1.062 -1.777 1.078) 2.334 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -3.344 0.254 0.220) 3.361 2.430 ( -12.685 -2.649 0.989) 12.996 2.632 ( -1.076 3.164 2.134) 3.966 3.146 ( -1.203 1.529 2.483) 3.155 3.655 ( -5.138 -0.172 -5.855) 7.792 3.807 ( -5.416 2.518 -1.881) 6.262 4.272 ( -3.998 -1.519 5.164) 6.705 4.503 ( 0.532 3.108 -5.610) 6.435 4.628 ( -9.509 1.083 3.220) 10.098 4.889 ( 18.644 -6.661 0.905) 19.818 5.160 ( 2.070 3.011 -2.996) 4.725 5.221 ( -0.771 -2.739 1.119) 3.058 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -4.313 0.936 -0.591) 4.452 2.174 ( -14.148 -3.342 0.547) 14.548 2.658 ( -1.379 2.846 5.056) 5.964 3.142 ( -2.295 -2.089 1.831) 3.603 3.523 ( -3.638 -0.633 -4.610) 5.906 3.777 ( -3.147 5.748 -2.966) 7.193 4.224 ( -1.167 -3.214 7.183) 7.956 4.403 ( -11.177 -1.895 1.328) 11.414 4.551 ( -1.158 0.416 0.943) 1.550 5.065 ( 7.302 -3.244 -4.430) 9.136 5.164 ( -3.775 -1.388 0.296) 4.033 5.276 ( 9.529 3.605 -5.118) 11.401 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -8.047 2.990 -3.386) 9.228 1.904 ( -14.649 -2.055 -0.478) 14.801 2.656 ( -3.373 1.157 4.875) 6.040 2.985 ( -7.836 -9.483 -2.975) 12.657 3.552 ( -1.311 12.357 -0.326) 12.430 3.807 ( 3.413 2.993 -1.293) 4.719 4.178 ( -13.749 1.211 2.755) 14.074 4.226 ( 0.296 -3.513 10.878) 11.435 4.548 ( 4.297 -7.978 3.368) 9.667 5.071 ( -5.616 1.147 -2.117) 6.110 5.095 ( 0.671 -0.979 -4.126) 4.294 5.449 ( 9.419 1.915 -10.519) 14.249 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.000 6.511 -7.091) 9.627 1.719 ( 0.000 4.337 -5.422) 6.943 2.545 ( -0.000 6.166 6.130) 8.695 2.717 ( 0.000 -0.777 -5.406) 5.462 3.646 ( -0.000 -7.597 5.731) 9.516 3.650 ( 0.000 1.005 -6.455) 6.533 4.118 ( -0.000 -7.963 0.949) 8.020 4.239 ( -0.000 12.643 12.455) 17.747 4.334 ( -0.000 6.599 3.954) 7.693 4.887 ( 0.000 4.001 -5.562) 6.852 5.181 ( 0.000 4.891 -3.505) 6.018 5.922 ( 0.000 -4.715 -5.912) 7.562 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -0.397 4.423 -5.257) 6.881 1.859 ( 12.367 4.266 -4.705) 13.902 2.662 ( 2.079 -4.835 -3.075) 6.095 2.724 ( 8.055 4.876 7.339) 11.938 3.473 ( -7.922 -6.241 0.428) 10.094 3.679 ( 1.279 0.291 -3.439) 3.681 4.077 ( 2.589 -6.331 1.981) 7.121 4.442 ( 2.544 14.807 11.160) 18.715 4.455 ( 5.417 3.580 3.511) 7.381 4.898 ( -0.336 2.352 -5.857) 6.320 5.209 ( -1.775 6.209 -3.561) 7.374 5.784 ( -8.261 -4.749 -6.419) 11.489 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 3.954 4.084 -1.559) 5.895 2.160 ( 18.148 5.536 -1.928) 19.071 2.615 ( 2.563 -7.971 -0.250) 8.377 2.998 ( 13.505 4.576 7.667) 16.190 3.319 ( -4.489 -2.638 -0.731) 5.257 3.677 ( -1.182 2.225 -4.172) 4.873 4.074 ( 3.242 -5.950 0.537) 6.797 4.580 ( 4.054 2.670 3.075) 5.746 4.648 ( 2.053 11.182 9.098) 14.561 4.887 ( 0.664 -0.140 -6.499) 6.534 5.216 ( -3.133 5.435 -2.974) 6.943 5.532 ( -13.639 -3.823 -5.551) 15.214 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 4.616 2.599 0.243) 5.303 2.489 ( 11.312 5.213 -3.437) 12.921 2.634 ( 7.690 -4.119 5.893) 10.528 3.251 ( 9.942 0.548 1.275) 10.039 3.303 ( 5.640 -1.119 3.142) 6.553 3.681 ( -1.031 7.267 -2.773) 7.846 4.065 ( 2.986 -6.602 -1.725) 7.448 4.639 ( -2.472 3.328 2.883) 5.050 4.745 ( -0.291 3.568 0.166) 3.584 4.920 ( 3.895 1.492 -2.238) 4.733 5.137 ( -10.253 -2.124 -1.193) 10.538 5.297 ( -7.314 1.808 -2.667) 7.992 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 2.551 0.801 0.466) 2.714 2.609 ( 3.700 2.374 -1.052) 4.520 2.738 ( 1.480 -1.703 2.163) 3.125 3.347 ( -0.352 -3.490 -0.084) 3.509 3.500 ( 17.633 4.515 0.668) 18.214 3.802 ( 5.266 8.451 2.601) 10.291 4.032 ( 1.284 -5.837 -2.907) 6.646 4.595 ( -3.997 0.379 0.382) 4.033 4.724 ( -9.475 5.022 -3.863) 11.398 4.877 ( -4.010 -5.645 1.276) 7.041 5.042 ( 2.888 0.055 1.358) 3.191 5.248 ( -2.409 1.832 -0.884) 3.153 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -0.423 -0.375 0.029) 0.566 2.663 ( -1.394 -5.503 -0.543) 5.703 2.700 ( -1.031 4.827 0.569) 4.968 3.272 ( -4.876 -0.226 0.088) 4.882 3.732 ( 2.453 -2.798 -0.672) 3.782 4.008 ( -3.479 6.600 1.499) 7.610 4.058 ( 21.629 1.377 -0.925) 21.692 4.516 ( -9.821 -0.826 0.273) 9.860 4.557 ( -2.647 -2.203 -0.354) 3.462 4.827 ( -1.545 -0.640 0.139) 1.678 5.094 ( 2.561 -0.016 -0.205) 2.570 5.229 ( -0.803 0.096 0.110) 0.816 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -2.303 -0.629 0.134) 2.391 2.516 ( -5.735 -8.060 -1.383) 9.989 2.752 ( -2.670 7.648 3.247) 8.727 3.213 ( -3.464 2.228 3.518) 5.417 3.620 ( -2.310 -12.347 -4.431) 13.320 4.007 ( -7.990 10.077 1.442) 12.941 4.326 ( -3.734 -5.513 1.473) 6.820 4.473 ( 16.798 6.601 -4.259) 18.544 4.520 ( 2.606 -7.796 1.390) 8.337 4.774 ( -5.219 0.578 0.467) 5.272 5.132 ( 2.093 0.823 -1.350) 2.623 5.228 ( 0.167 0.968 0.254) 1.015 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -2.495 0.354 0.437) 2.558 2.316 ( -8.749 -7.227 -0.569) 11.362 2.772 ( -4.595 5.966 5.672) 9.428 3.196 ( -3.892 -0.281 4.203) 5.735 3.474 ( 1.342 -7.474 -4.356) 8.754 3.943 ( -8.416 6.666 -2.539) 11.032 4.214 ( -2.403 -6.243 4.545) 8.087 4.467 ( -0.982 -5.318 1.058) 5.511 4.654 ( -7.247 -2.787 4.928) 9.196 4.799 ( 15.196 2.391 -10.426) 18.584 5.167 ( 0.805 1.006 -0.588) 1.416 5.262 ( 1.232 4.771 -1.657) 5.199 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -3.675 2.545 -1.355) 4.671 2.086 ( -10.981 -4.931 -1.228) 12.100 2.743 ( -4.637 -0.431 7.646) 8.953 3.058 ( -8.732 -3.580 -2.325) 9.719 3.551 ( 8.574 3.933 1.595) 9.567 3.865 ( -5.361 4.849 -5.622) 9.157 4.168 ( 2.283 -7.075 9.410) 11.992 4.384 ( -5.547 -2.412 2.785) 6.659 4.499 ( -6.831 -6.540 5.044) 10.718 4.970 ( 8.049 -0.221 -11.475) 14.018 5.163 ( -3.019 2.413 -0.876) 3.963 5.353 ( 4.176 5.559 -5.023) 8.578 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 0.000 1.735 -6.313) 6.547 1.742 ( 0.000 1.889 -4.196) 4.601 2.599 ( -0.000 -8.880 1.208) 8.962 2.694 ( -0.000 4.778 4.725) 6.720 3.492 ( -0.000 -7.456 1.703) 7.648 3.644 ( 0.000 1.718 -3.894) 4.256 4.020 ( -0.000 -3.600 2.786) 4.552 4.459 ( -0.000 4.264 1.801) 4.629 4.602 ( -0.000 14.231 11.604) 18.362 4.903 ( 0.000 1.378 -6.459) 6.605 5.272 ( 0.000 5.942 -3.379) 6.835 5.785 ( 0.000 -4.892 -6.572) 8.193 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 2.280 1.665 -1.827) 3.363 1.883 ( 14.860 1.603 -3.166) 15.278 2.515 ( 0.401 -7.794 2.296) 8.135 2.842 ( 10.393 2.246 4.175) 11.423 3.382 ( -5.584 -2.946 0.747) 6.357 3.677 ( 1.997 1.823 -2.471) 3.663 4.004 ( 0.714 -3.194 2.276) 3.986 4.534 ( 4.101 2.573 0.824) 4.910 4.769 ( 0.315 10.419 11.102) 15.229 4.876 ( -1.031 0.148 -7.778) 7.847 5.299 ( -1.848 4.648 -2.991) 5.828 5.657 ( -7.571 -3.600 -5.739) 10.159 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 4.782 0.983 0.378) 4.897 2.213 ( 21.354 2.098 -2.867) 21.648 2.505 ( 4.424 -3.900 5.347) 7.961 3.069 ( 13.156 -0.767 1.769) 13.297 3.280 ( -3.952 -1.010 0.263) 4.088 3.730 ( 1.794 4.352 -0.052) 4.708 3.989 ( 0.508 -3.413 1.449) 3.743 4.642 ( 5.824 1.640 -0.141) 6.052 4.774 ( -4.258 -1.832 -2.997) 5.520 4.921 ( 1.793 5.782 3.706) 7.098 5.268 ( -5.702 1.718 -2.653) 6.520 5.451 ( -11.040 -0.625 -3.329) 11.548 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 4.499 -0.344 0.386) 4.528 2.501 ( 10.641 1.764 -5.319) 12.026 2.636 ( 9.694 -3.051 6.931) 12.301 3.235 ( 8.093 -2.477 -3.330) 9.095 3.284 ( 7.271 0.497 1.596) 7.461 3.821 ( 2.352 1.518 5.651) 6.306 3.983 ( 1.585 1.544 0.799) 2.352 4.658 ( -4.463 -3.477 -4.838) 7.445 4.749 ( 4.824 1.777 -1.108) 5.259 4.997 ( 1.822 1.511 3.076) 3.882 5.075 ( -15.798 -0.068 -1.691) 15.889 5.320 ( -4.953 1.069 -0.810) 5.131 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 2.440 -1.461 -0.251) 2.855 2.628 ( 1.119 -1.553 0.958) 2.140 2.684 ( 4.758 -2.387 -3.312) 6.270 3.283 ( 2.255 -1.029 -5.450) 5.987 3.536 ( 15.495 -1.743 4.124) 16.129 3.820 ( 3.313 -6.471 3.695) 8.155 4.122 ( 3.594 10.970 6.321) 13.161 4.538 ( -3.420 -3.911 -5.083) 7.269 4.781 ( -11.469 -4.200 1.906) 12.362 4.827 ( -3.798 6.115 -4.432) 8.453 5.047 ( 2.848 -0.223 2.066) 3.526 5.258 ( -2.769 -0.577 -0.011) 2.829 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.154 -1.919 -0.478) 1.983 2.513 ( -4.236 -8.535 -0.983) 9.579 2.800 ( 4.860 4.351 -1.379) 6.668 3.285 ( -0.091 1.889 -2.910) 3.470 3.532 ( -4.084 -12.623 3.331) 13.679 4.004 ( 16.322 -5.250 1.310) 17.195 4.280 ( -1.210 9.486 6.806) 11.738 4.460 ( -0.057 -0.008 -3.489) 3.490 4.534 ( -11.816 -0.590 0.038) 11.831 4.819 ( -1.190 -0.890 -3.313) 3.631 5.104 ( 2.395 1.467 1.038) 2.994 5.230 ( 0.303 -0.039 0.333) 0.452 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.683 -0.942 0.130) 1.171 2.347 ( -5.105 -8.894 -0.430) 10.264 2.890 ( 0.219 4.157 0.470) 4.189 3.293 ( -7.101 -1.716 5.920) 9.403 3.344 ( 3.043 -6.872 -4.384) 8.701 4.074 ( -1.565 -4.604 0.814) 4.930 4.258 ( -5.388 -5.497 1.378) 7.820 4.373 ( -0.717 -1.595 -1.125) 2.079 4.620 ( 7.619 7.886 1.519) 11.070 4.745 ( -3.327 -3.038 -3.644) 5.794 5.164 ( 2.119 3.134 -0.249) 3.791 5.267 ( 1.976 2.513 0.315) 3.212 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -0.715 1.424 -0.138) 1.600 2.168 ( -6.530 -7.290 -0.667) 9.810 2.840 ( -6.640 -5.259 3.793) 9.281 3.153 ( -4.191 -0.509 -0.559) 4.259 3.446 ( 6.940 4.007 0.236) 8.017 3.970 ( -5.180 -1.532 -2.300) 5.871 4.115 ( -2.689 -7.503 3.353) 8.647 4.357 ( 0.766 -5.210 1.645) 5.517 4.606 ( -6.272 -4.024 3.128) 8.082 4.825 ( 6.890 5.205 -7.128) 11.197 5.225 ( -0.050 4.629 0.054) 4.630 5.332 ( 2.653 3.229 -1.641) 4.490 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.000 0.746 -0.159) 0.763 1.757 ( 0.000 1.518 -0.626) 1.642 2.458 ( -0.000 -5.442 4.139) 6.838 2.768 ( -0.000 0.686 1.055) 1.258 3.417 ( -0.000 -1.846 1.657) 2.480 3.663 ( 0.000 1.618 -0.624) 1.734 3.984 ( -0.000 -1.769 1.645) 2.416 4.516 ( 0.000 1.122 -0.617) 1.281 4.849 ( 0.000 -2.464 -7.867) 8.244 4.895 ( -0.000 7.762 9.954) 12.622 5.344 ( 0.000 3.108 -2.606) 4.056 5.680 ( 0.000 -1.056 -4.873) 4.986 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 2.543 0.838 1.641) 3.140 1.907 ( 14.822 1.794 0.995) 14.963 2.452 ( 1.467 -0.455 5.610) 5.816 2.852 ( 9.615 -2.173 -1.240) 9.935 3.362 ( -5.058 -0.140 1.533) 5.287 3.713 ( 3.389 1.724 1.894) 4.248 3.973 ( -0.173 -1.013 0.891) 1.360 4.551 ( 4.072 -0.719 -1.837) 4.525 4.774 ( -1.205 -4.629 -9.036) 10.224 4.976 ( -0.366 2.796 9.071) 9.500 5.340 ( -2.188 1.262 -2.077) 3.270 5.611 ( -7.329 2.527 -3.063) 8.336 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 3.958 -0.523 1.073) 4.134 2.220 ( 18.747 0.115 -1.806) 18.834 2.538 ( 4.285 2.226 8.133) 9.458 3.000 ( 12.358 -4.322 -4.794) 13.942 3.292 ( -3.500 1.619 1.788) 4.251 3.796 ( 2.713 -1.125 6.321) 6.970 3.985 ( 1.803 3.143 0.616) 3.676 4.597 ( 3.234 -4.461 -5.258) 7.617 4.692 ( 1.495 -3.575 -6.535) 7.598 4.997 ( -0.689 -1.273 7.281) 7.423 5.277 ( -5.841 0.576 -1.674) 6.104 5.476 ( -11.422 4.347 -0.916) 12.255 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 3.772 -2.093 0.186) 4.318 2.464 ( 13.451 -5.312 -5.017) 15.307 2.618 ( 0.444 0.776 2.902) 3.037 3.160 ( 10.456 -1.578 -5.732) 12.028 3.332 ( 6.788 1.629 5.247) 8.733 3.777 ( -1.976 -6.218 6.199) 9.000 4.136 ( 7.227 8.249 4.976) 12.043 4.526 ( -1.625 -4.609 -7.482) 8.937 4.704 ( 4.175 -6.316 -3.523) 8.351 5.006 ( 1.152 0.242 5.511) 5.636 5.137 ( -12.666 3.690 -1.584) 13.288 5.329 ( -8.172 0.481 0.487) 8.201 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 2.462 -3.097 -0.370) 3.974 2.461 ( 0.053 -12.144 -1.920) 12.295 2.703 ( 6.950 3.736 -4.706) 9.187 3.233 ( 3.237 -0.687 -6.018) 6.868 3.503 ( 4.036 -5.229 7.938) 10.327 3.739 ( 6.799 -3.774 4.695) 9.084 4.367 ( 7.221 7.842 6.968) 12.735 4.417 ( -4.129 -3.413 -7.297) 9.052 4.664 ( 0.794 -8.000 -0.154) 8.041 4.928 ( -15.289 5.929 -3.067) 16.683 5.089 ( 3.279 3.129 3.965) 6.022 5.227 ( -2.219 -2.754 0.628) 3.592 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 1.585 -2.381 -0.075) 2.861 2.315 ( -2.465 -11.316 -0.401) 11.589 2.829 ( 6.689 0.611 -6.115) 9.084 3.226 ( 0.992 -7.552 -1.692) 7.803 3.430 ( -5.680 1.242 4.228) 7.189 3.908 ( 11.210 -5.587 4.453) 13.293 4.270 ( -6.060 -3.395 -6.475) 9.496 4.481 ( -2.862 -2.592 -1.826) 4.272 4.647 ( 2.525 1.253 8.811) 9.251 4.754 ( -7.760 3.840 -3.435) 9.315 5.157 ( 1.300 1.845 1.294) 2.601 5.246 ( 3.796 2.028 1.758) 4.649 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -0.000 2.914 4.636) 5.476 1.794 ( -0.000 1.374 3.166) 3.451 2.477 ( -0.000 3.746 6.222) 7.263 2.732 ( 0.000 -3.795 -2.705) 4.661 3.425 ( -0.000 1.306 2.472) 2.796 3.695 ( -0.000 0.998 2.722) 2.899 3.971 ( 0.000 -0.129 -0.060) 0.143 4.493 ( 0.000 -2.275 -2.974) 3.745 4.682 ( 0.000 -8.829 -10.495) 13.714 5.023 ( -0.000 -0.182 8.779) 8.781 5.355 ( 0.000 -0.707 -1.425) 1.591 5.708 ( 0.000 5.826 -2.050) 6.176 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.534 0.738 3.742) 3.851 1.952 ( 13.081 0.575 3.466) 13.545 2.562 ( 1.408 6.578 7.220) 9.869 2.752 ( 8.596 -5.566 -4.832) 11.323 3.401 ( -5.264 3.057 2.751) 6.680 3.755 ( 3.431 -0.097 5.388) 6.389 3.982 ( 1.403 2.014 -0.572) 2.521 4.481 ( 2.926 -4.440 -5.002) 7.301 4.563 ( 2.132 -10.433 -9.395) 14.201 5.027 ( -1.207 -1.985 7.612) 7.959 5.320 ( -1.888 -2.455 -0.816) 3.203 5.702 ( -7.613 7.122 -1.109) 10.484 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 1.727 -2.201 2.365) 3.663 2.167 ( 13.055 -5.619 -0.989) 14.248 2.649 ( -0.171 3.791 1.278) 4.004 2.897 ( 14.693 -1.979 -1.029) 14.861 3.362 ( -3.659 3.280 4.154) 6.435 3.775 ( -1.115 -3.953 5.484) 6.852 4.094 ( 6.797 5.943 1.774) 9.202 4.436 ( 2.933 -7.140 -8.638) 11.585 4.535 ( 5.393 -7.515 -4.737) 10.392 5.012 ( -0.226 -1.481 6.299) 6.475 5.243 ( -3.448 -3.340 -0.194) 4.804 5.584 ( -13.799 6.337 -0.301) 15.187 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 2.823 -4.357 1.320) 5.357 2.246 ( 7.850 -12.893 -3.511) 15.498 2.668 ( 0.863 2.648 -4.275) 5.102 3.125 ( 9.549 1.448 -2.184) 9.902 3.380 ( 3.695 -2.897 9.029) 10.177 3.716 ( -2.272 -2.414 3.865) 5.092 4.274 ( 7.682 1.521 -1.847) 8.046 4.440 ( 4.260 0.409 -1.695) 4.603 4.504 ( 1.710 -8.826 -4.336) 9.981 5.058 ( 3.966 0.618 4.572) 6.084 5.147 ( -4.437 -2.253 0.578) 5.009 5.376 ( -16.241 4.213 1.044) 16.811 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 3.464 -4.338 1.149) 5.669 2.185 ( 2.907 -14.384 -1.726) 14.776 2.715 ( 4.255 0.745 -6.683) 7.957 3.155 ( -1.218 -6.015 -0.624) 6.169 3.475 ( 4.686 -0.443 4.905) 6.798 3.739 ( 5.091 0.461 4.585) 6.867 4.306 ( -1.783 -1.782 -9.546) 9.873 4.424 ( 2.182 -8.394 -2.806) 9.116 4.547 ( 4.253 -0.022 1.825) 4.628 5.023 ( -10.149 3.272 4.141) 11.439 5.160 ( 1.494 -4.286 1.006) 4.649 5.226 ( -1.823 7.764 5.308) 9.580 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -0.000 0.016 5.406) 5.406 1.837 ( -0.000 -0.439 5.360) 5.378 2.601 ( 0.000 -6.545 -4.738) 8.080 2.648 ( -0.000 8.381 6.468) 10.587 3.514 ( -0.000 5.751 3.944) 6.973 3.736 ( -0.000 0.465 5.563) 5.582 3.982 ( 0.000 2.319 -1.823) 2.949 4.384 ( 0.000 -14.368 -9.989) 17.499 4.394 ( 0.000 -5.249 -4.951) 7.215 5.035 ( -0.000 -3.210 6.709) 7.437 5.301 ( 0.000 -3.959 -0.291) 3.970 5.836 ( 0.000 7.443 -1.330) 7.561 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -2.689 -3.483 4.544) 6.325 1.931 ( 8.531 -5.553 2.326) 10.441 2.593 ( 6.643 -5.429 -5.397) 10.136 2.766 ( 3.225 7.425 6.795) 10.569 3.511 ( -6.800 4.320 4.684) 9.319 3.771 ( 0.207 -1.676 5.424) 5.681 4.049 ( 4.431 5.063 -2.288) 7.107 4.246 ( 3.851 -12.287 -7.019) 14.665 4.370 ( 5.262 -5.025 -5.417) 9.071 5.013 ( -0.472 -3.830 5.664) 6.854 5.245 ( -1.646 -4.489 0.254) 4.788 5.833 ( -7.930 6.562 -1.437) 10.393 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.401 -6.621 3.341) 7.427 1.980 ( 7.551 -12.172 -2.188) 14.490 2.627 ( 3.543 -2.842 -4.665) 6.511 2.972 ( 11.084 5.512 4.860) 13.299 3.412 ( -7.069 -4.094 5.180) 9.673 3.751 ( -1.787 0.097 3.291) 3.746 4.129 ( 6.412 -5.177 -6.937) 10.772 4.256 ( 6.887 -5.779 -0.803) 9.026 4.457 ( 6.064 5.433 -2.382) 8.483 5.000 ( 2.111 -3.896 4.401) 6.245 5.168 ( -2.563 -3.905 1.143) 4.809 5.696 ( -14.253 5.257 -0.515) 15.200 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 3.760 -7.658 2.866) 9.000 1.951 ( 6.228 -14.868 -2.597) 16.328 2.639 ( 2.859 -2.318 -3.428) 5.030 3.161 ( -3.348 -0.832 -1.353) 3.706 3.316 ( 10.318 -6.022 7.541) 14.128 3.758 ( -0.942 4.430 1.489) 4.767 4.159 ( 7.981 -9.667 -4.404) 13.287 4.283 ( 3.405 -4.977 -6.269) 8.698 4.588 ( -0.719 8.691 0.257) 8.724 5.043 ( 5.789 -5.341 2.525) 8.271 5.108 ( -1.608 -1.313 2.516) 3.262 5.495 ( -14.430 6.139 3.958) 16.174 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.000 -8.394 3.158) 8.968 1.804 ( -0.000 -6.954 2.616) 7.429 2.463 ( 0.000 -4.024 -1.709) 4.372 2.821 ( -0.000 3.884 4.256) 5.762 3.620 ( -0.000 -1.351 3.067) 3.352 3.785 ( -0.000 0.315 7.366) 7.372 4.011 ( 0.000 -5.544 -9.320) 10.844 4.133 ( -0.000 5.711 1.749) 5.973 4.234 ( 0.000 -7.255 -6.246) 9.573 4.990 ( -0.000 -5.017 4.756) 6.913 5.218 ( 0.000 -4.039 0.327) 4.052 5.954 ( 0.000 5.765 -2.620) 6.333 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -1.585 -11.237 2.427) 11.605 1.755 ( 4.076 -12.597 -1.639) 13.341 2.497 ( 5.758 -2.212 0.383) 6.180 2.878 ( 5.547 -1.698 2.865) 6.470 3.503 ( -7.643 -7.703 0.067) 10.851 3.802 ( -1.138 1.715 5.883) 6.232 3.949 ( 3.289 -7.692 -3.192) 8.954 4.135 ( 1.839 -3.992 -4.912) 6.591 4.382 ( 10.600 11.319 1.321) 15.564 4.954 ( -0.122 -4.481 3.830) 5.896 5.172 ( -1.505 -2.852 0.359) 3.245 5.927 ( -7.909 4.485 -2.885) 9.539 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 2.378 -12.766 2.261) 13.182 1.693 ( 5.879 -15.062 -2.946) 16.435 2.547 ( 3.416 -4.408 1.630) 5.810 3.035 ( 15.402 -5.108 1.784) 16.325 3.263 ( -10.115 -7.979 -1.652) 12.988 3.828 ( -0.852 4.715 1.840) 5.133 3.936 ( 5.043 -9.481 1.477) 10.840 4.148 ( 5.530 -3.522 -6.673) 9.355 4.660 ( 6.539 11.361 1.266) 13.169 4.933 ( 0.862 -3.043 3.123) 4.445 5.122 ( -1.696 -1.763 0.875) 2.598 5.780 ( -12.391 3.773 -0.192) 12.954 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.000 -15.388 0.216) 15.390 1.582 ( 0.000 -15.002 -3.294) 15.360 2.450 ( -0.000 1.279 4.606) 4.780 2.746 ( 0.000 -15.150 -0.884) 15.175 3.489 ( 0.000 -6.857 -4.795) 8.367 3.839 ( -0.000 0.135 7.109) 7.110 3.867 ( -0.000 -5.599 3.016) 6.360 4.044 ( 0.000 -7.846 -6.031) 9.896 4.417 ( -0.000 13.315 4.433) 14.034 4.945 ( -0.000 0.032 3.607) 3.607 5.168 ( 0.000 -0.226 -1.306) 1.326 6.021 ( 0.000 3.580 -4.771) 5.965 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.357 -17.400 -0.451) 17.409 1.446 ( 3.934 -16.627 -4.034) 17.556 2.465 ( 0.428 -8.342 3.999) 9.261 2.691 ( 13.488 -12.548 -0.261) 18.424 3.340 ( -7.665 -5.864 -6.440) 11.602 3.815 ( 0.677 -5.914 5.194) 7.900 3.888 ( 1.053 0.372 7.393) 7.476 3.989 ( 4.492 -5.765 -7.461) 10.444 4.595 ( 7.562 3.181 4.802) 9.506 4.983 ( -0.426 5.963 4.716) 7.615 5.160 ( -2.630 4.710 -3.217) 6.281 5.971 ( -7.233 2.499 -4.377) 8.816 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.000 -19.394 -2.215) 19.520 1.219 ( 0.000 -18.728 -5.408) 19.493 2.259 ( 0.000 -30.991 -3.365) 31.173 2.543 ( -0.000 3.727 7.217) 8.122 3.330 ( 0.000 -6.321 -9.742) 11.613 3.784 ( -0.000 -8.122 10.520) 13.291 3.803 ( 0.000 -6.644 -5.548) 8.656 3.935 ( -0.000 -0.979 5.940) 6.020 4.562 ( -0.000 0.347 5.175) 5.187 5.035 ( -0.000 1.212 5.111) 5.253 5.285 ( 0.000 16.921 -3.945) 17.375 6.035 ( 0.000 1.887 -7.006) 7.256 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( -0.000 0.000 20.052) 20.052 0.399 ( -0.000 0.000 20.052) 20.052 0.653 ( -0.000 0.000 32.784) 32.784 2.752 ( 0.000 -0.000 -5.024) 5.024 2.752 ( 0.000 -0.000 -5.024) 5.024 3.483 ( -0.000 0.000 4.260) 4.260 3.483 ( -0.000 0.000 4.260) 4.260 3.973 ( 0.000 -0.000 -1.500) 1.500 3.973 ( 0.000 -0.000 -1.500) 1.500 4.952 ( 0.000 -0.000 -10.763) 10.763 6.019 ( -0.000 0.000 7.118) 7.118 6.550 ( 0.000 -0.000 -0.140) 0.140 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 2.221 1.282 18.712) 18.887 0.566 ( 9.765 5.638 13.447) 17.549 1.077 ( 23.682 13.673 16.860) 32.125 2.763 ( 5.510 3.181 -5.760) 8.582 2.794 ( 1.268 0.732 -2.353) 2.772 3.450 ( -0.301 -0.174 0.973) 1.033 3.656 ( 9.932 5.734 6.988) 13.429 4.032 ( 2.786 1.609 0.800) 3.315 4.291 ( 16.060 9.272 -17.272) 25.342 4.943 ( 2.036 1.175 -11.257) 11.500 5.957 ( -7.008 -4.046 6.507) 10.384 6.240 ( -18.073 -10.435 9.543) 22.948 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 9.584 5.533 6.713) 12.944 0.855 ( 12.447 7.186 6.733) 15.871 1.644 ( 22.434 12.953 3.013) 26.080 2.797 ( -0.642 -0.371 0.647) 0.984 2.946 ( 11.685 6.746 -0.038) 13.493 3.471 ( 2.339 1.350 -3.130) 4.134 3.947 ( 12.641 7.298 9.147) 17.226 4.098 ( 2.574 1.486 2.565) 3.927 4.494 ( 7.953 4.592 -10.812) 14.185 4.963 ( 2.527 1.459 -8.720) 9.195 5.746 ( -14.542 -8.396 5.527) 17.678 5.893 ( -13.896 -8.023 1.616) 16.126 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 13.468 7.776 -2.674) 15.780 1.148 ( 12.301 7.102 2.062) 14.353 2.071 ( 16.324 9.425 -5.552) 19.650 2.777 ( -1.462 -0.844 2.847) 3.310 3.285 ( 16.936 9.778 8.231) 21.217 3.527 ( 3.837 2.215 -6.445) 7.821 4.161 ( 2.101 1.213 3.811) 4.518 4.228 ( 8.773 5.065 9.412) 13.827 4.632 ( 7.312 4.222 -5.822) 10.256 4.998 ( 2.009 1.160 -3.581) 4.267 5.347 ( -20.833 -12.028 4.489) 24.472 5.628 ( -9.709 -5.606 -8.642) 14.156 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 13.500 7.794 -6.716) 16.974 1.411 ( 10.952 6.323 -1.523) 12.737 2.373 ( 13.118 7.574 -5.790) 16.216 2.753 ( -1.706 -0.985 4.279) 4.710 3.598 ( 4.522 2.611 -8.334) 9.835 3.719 ( 17.953 10.365 11.675) 23.792 4.216 ( 1.615 0.932 4.772) 5.123 4.372 ( 0.781 0.451 9.858) 9.899 4.762 ( -1.491 -0.861 3.108) 3.553 4.875 ( -10.094 -5.828 -3.679) 12.223 5.044 ( -2.762 -1.595 -2.088) 3.812 5.415 ( -4.679 -2.702 -13.892) 14.905 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 11.349 6.553 -7.081) 14.896 1.625 ( 8.947 5.166 -4.166) 11.140 2.644 ( 12.544 7.242 -3.502) 14.901 2.728 ( -1.953 -1.128 5.307) 5.767 3.674 ( 4.679 2.702 -8.752) 10.286 4.109 ( 8.773 5.065 11.422) 15.267 4.241 ( -10.944 -6.318 2.082) 12.807 4.264 ( 1.111 0.641 5.580) 5.725 4.523 ( -8.590 -4.959 13.196) 16.508 4.893 ( -3.180 -1.836 -11.875) 12.429 4.992 ( 5.957 3.439 -5.087) 8.555 5.366 ( 1.922 1.110 -6.877) 7.226 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 7.607 4.392 -5.809) 10.532 1.786 ( 6.826 3.941 -5.549) 9.639 2.697 ( -2.487 -1.436 5.859) 6.525 2.899 ( 10.769 6.217 -5.125) 13.450 3.749 ( 4.389 2.534 -7.950) 9.428 3.827 ( -14.959 -8.637 -3.018) 17.535 4.298 ( -9.070 -5.237 5.910) 12.026 4.299 ( 0.258 0.149 6.149) 6.157 4.466 ( 4.554 2.629 12.099) 13.192 4.827 ( 2.315 1.337 -7.160) 7.643 5.154 ( 8.126 4.692 -2.159) 9.628 5.388 ( 0.618 0.357 -2.788) 2.878 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 3.217 1.857 -4.448) 5.795 1.898 ( 4.780 2.760 -5.398) 7.721 2.650 ( -3.335 -1.926 5.455) 6.677 3.045 ( 3.819 2.205 -13.649) 14.344 3.593 ( -3.921 -2.264 -3.270) 5.584 3.817 ( 3.721 2.148 -6.550) 7.834 4.066 ( -10.562 -6.098 5.253) 13.279 4.310 ( -1.197 -0.691 6.392) 6.540 4.536 ( -1.058 -0.611 1.583) 1.999 4.950 ( 7.248 4.185 6.781) 10.772 5.322 ( 6.528 3.769 -1.500) 7.686 5.367 ( -1.414 -0.816 0.309) 1.662 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.279 0.161 -3.093) 3.110 1.961 ( 1.928 1.113 -3.662) 4.286 2.583 ( -3.757 -2.169 3.496) 5.572 3.004 ( -1.660 -0.958 -16.001) 16.116 3.596 ( 3.496 2.018 -3.879) 5.598 3.871 ( 2.741 1.583 -5.319) 6.190 3.918 ( -3.153 -1.821 2.980) 4.705 4.283 ( -3.041 -1.756 6.319) 7.230 4.451 ( -6.476 -3.739 -0.519) 7.495 5.126 ( 4.962 2.865 9.749) 11.308 5.285 ( -3.650 -2.107 -2.840) 5.082 5.487 ( 6.312 3.645 5.428) 9.088 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -2.342 -1.352 -0.366) 2.728 1.944 ( -3.316 -1.915 -0.361) 3.846 2.517 ( -2.203 -1.272 -0.391) 2.574 2.909 ( -2.886 -1.666 -7.798) 8.480 3.704 ( 7.537 4.352 -7.291) 11.353 3.904 ( 1.544 0.891 -4.634) 4.965 3.920 ( 1.838 1.061 -1.157) 2.418 4.215 ( -4.712 -2.720 5.868) 8.002 4.255 ( -9.853 -5.689 -0.916) 11.414 5.176 ( -3.986 -2.301 -1.741) 4.921 5.214 ( -0.638 -0.368 5.556) 5.604 5.657 ( 6.596 3.808 9.443) 12.132 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -8.216 -4.744 1.313) 9.578 1.801 ( -9.621 -5.555 2.763) 11.448 2.491 ( 0.488 0.282 -4.364) 4.400 2.841 ( -2.930 -1.691 2.612) 4.274 3.727 ( -8.391 -4.844 -6.476) 11.654 3.910 ( 0.195 0.112 -3.951) 3.957 3.951 ( 1.222 0.705 -4.977) 5.173 4.115 ( -5.592 -3.229 4.591) 7.923 4.184 ( 9.100 5.254 -3.384) 11.040 5.057 ( -5.397 -3.116 -2.003) 6.546 5.192 ( -2.439 -1.408 3.093) 4.183 5.827 ( 5.396 3.115 10.324) 12.058 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -13.878 -8.012 1.425) 16.088 1.545 ( -13.945 -8.051 4.268) 16.658 2.505 ( 2.122 1.225 -6.464) 6.913 2.708 ( -13.090 -7.558 6.607) 16.496 3.462 ( -9.850 -5.687 0.797) 11.402 3.884 ( -2.041 -1.178 -0.627) 2.438 3.923 ( -2.299 -1.328 -8.290) 8.705 4.005 ( -4.531 -2.616 0.458) 5.253 4.468 ( 12.093 6.982 -6.193) 15.275 4.973 ( 0.797 0.460 -2.158) 2.346 5.149 ( -1.382 -0.798 2.595) 3.046 5.956 ( 3.346 1.932 8.791) 9.602 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -0.000 7.896 16.632) 18.411 0.686 ( -0.000 13.106 15.253) 20.110 1.106 ( -0.000 24.091 18.174) 30.177 2.615 ( 0.000 -5.478 -6.756) 8.698 2.919 ( 0.000 15.288 -2.742) 15.532 3.494 ( -0.000 1.586 2.501) 2.962 3.626 ( -0.000 6.677 6.301) 9.181 3.892 ( 0.000 -3.252 -4.290) 5.383 4.288 ( 0.000 15.341 -10.027) 18.327 4.906 ( 0.000 2.372 -11.927) 12.161 5.974 ( -0.000 -9.363 7.230) 11.830 6.328 ( -0.000 -13.116 6.887) 14.815 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -0.593 9.503 12.905) 16.037 0.879 ( 2.730 15.807 10.094) 18.952 1.527 ( 12.831 23.256 6.109) 27.255 2.636 ( 9.766 -4.618 -4.105) 11.556 3.041 ( -3.335 16.819 0.580) 17.156 3.484 ( -1.850 2.816 -0.163) 3.373 3.828 ( 11.242 5.581 6.291) 14.039 3.962 ( 10.268 -3.493 -1.402) 10.937 4.408 ( 4.266 7.620 -8.868) 12.446 4.907 ( 1.831 1.983 -10.609) 10.947 5.829 ( -6.359 -13.512 6.168) 16.157 6.106 ( -14.463 -6.658 4.274) 16.485 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 4.809 11.311 3.720) 12.842 1.130 ( 5.453 15.577 5.328) 17.343 1.937 ( 11.939 16.711 -4.217) 20.966 2.773 ( 6.963 0.734 -0.124) 7.002 3.181 ( 4.308 10.739 7.084) 13.568 3.514 ( 1.650 5.916 -3.651) 7.145 4.028 ( 10.144 -5.401 -0.533) 11.505 4.157 ( 9.526 5.062 9.115) 14.123 4.534 ( 6.834 5.457 -7.364) 11.433 4.940 ( 3.634 1.378 -7.228) 8.207 5.541 ( -13.233 -15.712 5.803) 21.347 5.791 ( -17.069 -2.779 -2.761) 17.513 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 9.168 10.633 -3.221) 14.405 1.385 ( 5.572 14.981 1.861) 16.091 2.243 ( 10.894 11.900 -5.904) 17.180 2.837 ( -2.755 5.548 1.693) 6.421 3.402 ( 11.693 -2.003 1.289) 11.933 3.679 ( 8.065 14.148 3.572) 16.672 4.107 ( 6.956 -7.799 1.638) 10.578 4.348 ( 5.772 1.485 7.432) 9.526 4.699 ( 7.695 6.737 -5.903) 11.809 5.000 ( 2.396 0.403 -0.544) 2.490 5.146 ( -18.148 -11.245 3.806) 21.686 5.478 ( -13.360 -3.527 -10.184) 17.166 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 10.256 8.616 -5.694) 14.555 1.612 ( 4.127 14.448 -0.876) 15.052 2.517 ( 11.047 10.017 -3.328) 15.279 2.828 ( -5.204 5.743 3.541) 8.520 3.533 ( 9.156 -2.666 -6.796) 11.710 4.001 ( 9.924 3.424 9.108) 13.898 4.128 ( 5.135 -4.469 3.497) 7.653 4.434 ( 0.606 0.644 5.823) 5.890 4.741 ( -18.212 -3.204 7.108) 19.810 4.866 ( 5.659 5.640 -6.847) 10.522 4.982 ( -6.762 -2.007 -5.337) 8.845 5.297 ( 1.413 -2.328 -8.103) 8.548 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 8.593 5.763 -5.630) 11.779 1.794 ( 2.060 13.513 -2.827) 13.958 2.768 ( 6.631 7.054 -4.551) 10.698 2.816 ( -1.984 6.598 6.367) 9.381 3.633 ( 7.541 -1.137 -8.140) 11.154 3.890 ( -7.225 -15.454 0.212) 17.061 4.339 ( 4.188 5.886 3.169) 7.889 4.429 ( -5.175 6.783 2.923) 9.018 4.531 ( -7.404 -4.288 14.662) 16.976 4.788 ( -2.456 -0.518 -9.113) 9.452 5.049 ( 8.158 4.767 -3.622) 10.119 5.331 ( 4.131 -2.072 -2.132) 5.089 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 5.322 2.364 -4.858) 7.584 1.924 ( 0.123 11.702 -3.488) 12.211 2.775 ( -5.783 6.133 3.254) 9.036 2.963 ( 4.430 3.920 -7.095) 9.238 3.581 ( -4.132 -10.466 -5.636) 12.584 3.768 ( 3.805 3.561 -5.304) 7.436 4.227 ( -12.066 -3.797 1.027) 12.691 4.398 ( -4.666 4.129 5.666) 8.421 4.548 ( 0.614 0.081 4.292) 4.336 4.863 ( 8.559 2.509 5.080) 10.265 5.224 ( 8.287 3.460 -1.524) 9.109 5.347 ( 1.331 -3.482 -0.437) 3.753 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 2.414 -0.606 -4.292) 4.962 2.004 ( -1.579 9.241 -2.922) 9.819 2.726 ( -8.812 5.671 4.050) 11.235 2.960 ( -0.385 0.148 -16.112) 16.117 3.490 ( 3.774 -5.536 -3.805) 7.705 3.867 ( 2.725 6.928 -4.157) 8.527 4.019 ( -8.938 -1.269 0.980) 9.080 4.368 ( -4.617 1.373 6.227) 7.873 4.522 ( -4.133 -0.887 1.206) 4.396 5.066 ( 8.622 1.518 9.938) 13.244 5.287 ( -1.043 -3.196 -4.259) 5.427 5.399 ( 7.748 0.130 4.413) 8.917 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.249 -2.201 -3.015) 3.937 2.024 ( -4.368 5.781 -1.140) 7.335 2.623 ( -8.254 2.519 1.974) 8.853 2.910 ( -1.327 2.192 -12.699) 12.955 3.534 ( 8.008 -3.288 -5.358) 10.181 3.916 ( -3.394 0.600 -1.828) 3.902 3.955 ( 0.271 7.439 -1.642) 7.622 4.306 ( -5.306 -0.528 4.671) 7.089 4.400 ( -9.739 -0.564 1.734) 9.908 5.190 ( 0.077 -1.767 0.993) 2.028 5.218 ( 0.322 -2.421 2.709) 3.647 5.558 ( 9.594 -1.011 7.058) 11.953 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -2.571 -4.288 -1.150) 5.130 1.941 ( -9.502 0.462 1.335) 9.606 2.541 ( -4.594 2.943 -0.500) 5.479 2.885 ( -1.508 3.881 -4.389) 6.050 3.635 ( 7.823 -4.616 -6.948) 11.436 3.864 ( -1.174 -2.846 -3.978) 5.030 3.994 ( -2.867 4.223 0.658) 5.147 4.200 ( -8.403 0.523 0.399) 8.429 4.274 ( -5.020 6.197 2.664) 8.408 5.101 ( -4.202 -3.092 -3.173) 6.106 5.217 ( -1.353 -2.327 3.265) 4.231 5.734 ( 9.702 -2.164 8.418) 13.026 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -9.912 -6.859 -0.379) 12.060 1.732 ( -13.699 -3.671 2.920) 14.480 2.514 ( -2.300 3.597 -2.979) 5.206 2.879 ( -6.143 4.086 2.511) 7.793 3.518 ( -7.240 -11.951 -2.706) 14.233 3.849 ( 2.770 -1.614 -3.860) 5.017 3.956 ( -3.785 1.065 -4.665) 6.101 4.081 ( -6.665 -1.075 6.123) 9.114 4.407 ( 6.572 15.336 -3.836) 17.120 4.985 ( -4.145 -2.587 -2.549) 5.511 5.168 ( -1.910 -2.337 1.169) 3.237 5.880 ( 7.800 -3.476 6.814) 10.925 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -0.000 11.864 10.415) 15.787 1.049 ( -0.000 15.215 9.860) 18.131 1.710 ( -0.000 29.129 4.238) 29.436 2.478 ( 0.000 -4.182 -5.143) 6.629 3.265 ( -0.000 19.996 -0.437) 20.000 3.554 ( -0.000 2.162 4.212) 4.735 3.758 ( 0.000 0.005 -2.810) 2.810 3.846 ( -0.000 4.803 2.962) 5.643 4.418 ( 0.000 5.244 -4.992) 7.240 4.877 ( 0.000 1.575 -9.784) 9.910 5.747 ( -0.000 -18.011 5.849) 18.937 6.181 ( -0.000 -6.004 1.935) 6.308 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -1.724 12.957 5.790) 14.296 1.245 ( 2.616 15.559 6.536) 17.078 1.998 ( 2.040 23.300 -3.952) 23.720 2.568 ( 13.716 -0.132 -1.593) 13.809 3.393 ( -7.797 15.453 6.138) 18.365 3.549 ( -0.503 4.845 -0.309) 4.881 3.800 ( 8.175 -3.879 -5.636) 10.660 4.060 ( 11.291 6.534 8.172) 15.394 4.476 ( 3.603 4.364 -4.152) 7.019 4.877 ( 2.058 0.825 -7.824) 8.132 5.532 ( -5.296 -19.546 4.761) 20.803 6.026 ( -12.156 -3.201 -1.525) 12.662 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 1.595 12.783 -0.081) 12.883 1.476 ( 4.362 15.896 4.566) 17.104 2.223 ( 4.899 16.470 -6.209) 18.271 2.826 ( 12.248 4.448 -2.938) 13.358 3.352 ( -6.632 2.243 7.063) 9.945 3.700 ( 5.955 12.524 1.588) 13.958 3.892 ( 9.095 -4.993 -2.905) 10.774 4.283 ( 6.404 1.496 7.904) 10.282 4.621 ( 8.171 7.514 -4.348) 11.922 4.914 ( 4.867 -1.113 -3.850) 6.304 5.243 ( -9.103 -16.670 3.802) 19.370 5.729 ( -18.518 -1.071 -6.157) 19.545 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 5.534 11.411 -3.163) 13.071 1.717 ( 3.566 16.836 3.458) 17.554 2.458 ( 7.628 13.391 -3.709) 15.851 2.985 ( -0.482 8.617 -1.933) 8.844 3.325 ( 5.058 -5.306 0.467) 7.346 3.871 ( 6.005 -6.251 0.466) 8.681 4.054 ( 8.788 10.841 5.684) 15.068 4.383 ( 4.516 -1.435 3.782) 6.063 4.811 ( 5.755 7.693 -6.021) 11.338 4.925 ( -6.304 -13.328 9.646) 17.619 5.017 ( 1.537 0.511 -3.318) 3.693 5.374 ( -18.108 -0.481 -10.298) 20.837 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 6.413 9.278 -3.479) 11.803 1.929 ( 0.618 17.126 1.799) 17.232 2.700 ( 8.080 10.091 -2.714) 13.209 2.998 ( -6.390 8.448 4.163) 11.381 3.421 ( 11.518 -3.819 -6.370) 13.705 3.820 ( -0.893 -11.792 0.743) 11.849 4.331 ( 7.026 10.427 4.926) 13.504 4.450 ( 4.506 -1.108 -0.577) 4.676 4.680 ( -9.404 -8.558 8.409) 15.244 4.920 ( -9.722 3.290 -4.069) 11.041 4.982 ( 0.837 6.365 -5.485) 8.444 5.209 ( 4.702 -3.491 -2.930) 6.548 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 4.206 6.315 -2.799) 8.088 2.075 ( -2.359 15.380 0.243) 15.562 2.870 ( 3.434 7.099 -7.882) 11.149 3.006 ( -3.946 7.011 8.481) 11.690 3.510 ( 0.713 -6.136 -6.359) 8.865 3.707 ( 3.125 -1.171 -3.451) 4.801 4.375 ( -8.638 -1.822 -6.561) 10.999 4.514 ( 1.327 2.518 1.754) 3.343 4.551 ( -1.943 -2.449 9.959) 10.438 4.809 ( -0.531 4.001 2.792) 4.908 5.121 ( 7.093 4.229 -1.643) 8.420 5.255 ( 4.397 -4.878 -0.487) 6.585 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 0.774 2.995 -2.370) 3.897 2.155 ( -4.018 12.570 -0.245) 13.199 2.926 ( 0.386 4.195 -12.259) 12.962 2.980 ( -10.276 6.169 5.074) 13.016 3.381 ( -0.067 -6.140 -4.456) 7.588 3.857 ( 6.560 8.790 -4.034) 11.686 4.163 ( -9.861 -2.069 -4.530) 11.047 4.484 ( -5.305 -0.769 7.032) 8.842 4.572 ( -0.180 2.458 1.499) 2.885 4.942 ( 9.099 -0.160 8.779) 12.644 5.235 ( 1.700 -2.815 -4.668) 5.710 5.279 ( 6.652 -1.710 3.679) 7.791 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -0.829 0.647 -2.450) 2.666 2.185 ( -5.601 9.856 0.435) 11.345 2.783 ( -8.630 -3.725 -2.474) 9.719 2.968 ( -4.255 10.581 -7.618) 13.715 3.383 ( 4.847 -1.261 -3.758) 6.261 3.985 ( -4.399 -0.829 -0.549) 4.510 4.026 ( -0.079 9.619 -5.723) 11.193 4.404 ( -5.117 -1.231 5.310) 7.476 4.557 ( -6.129 3.048 2.521) 7.295 5.118 ( 8.817 -2.553 8.768) 12.694 5.183 ( -0.646 -4.339 -3.886) 5.860 5.393 ( 7.997 -3.416 3.386) 9.332 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -1.257 -1.087 -2.023) 2.618 2.137 ( -9.963 5.015 1.832) 11.303 2.638 ( -4.480 -1.419 0.556) 4.732 2.968 ( -3.593 8.995 -6.181) 11.490 3.464 ( 5.919 0.312 -5.439) 8.045 3.868 ( -4.141 -3.884 -3.782) 6.822 4.101 ( -2.511 6.908 1.447) 7.492 4.341 ( -4.656 3.715 0.473) 5.975 4.447 ( -9.446 1.872 3.573) 10.271 5.116 ( -1.956 -1.984 -4.189) 5.031 5.204 ( 1.759 -3.193 4.120) 5.501 5.525 ( 11.926 -6.638 5.408) 14.682 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -5.667 -3.249 -2.107) 6.864 1.957 ( -14.304 -0.390 2.534) 14.532 2.594 ( -2.815 1.776 2.043) 3.906 3.007 ( -1.341 10.319 -2.434) 10.686 3.469 ( -2.059 -8.103 -6.141) 10.374 3.779 ( 0.900 -2.414 -2.524) 3.606 4.079 ( -7.115 3.474 2.940) 8.446 4.236 ( -9.802 1.308 3.326) 10.433 4.453 ( 3.144 9.961 -1.394) 10.538 5.038 ( -4.839 -0.654 -3.392) 5.945 5.172 ( -1.466 -3.281 0.366) 3.612 5.675 ( 11.848 -7.929 3.857) 14.769 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -0.000 12.652 3.016) 13.007 1.374 ( -0.000 13.253 3.424) 13.688 2.238 ( 0.000 24.689 -5.904) 25.385 2.408 ( 0.000 -0.647 -0.383) 0.752 3.603 ( -0.000 9.532 -0.081) 9.533 3.673 ( -0.000 10.031 11.532) 15.285 3.682 ( 0.000 -1.774 -7.412) 7.621 4.024 ( -0.000 7.962 5.921) 9.922 4.465 ( 0.000 1.380 -1.274) 1.879 4.841 ( 0.000 0.113 -6.975) 6.976 5.395 ( -0.000 -19.097 2.782) 19.298 6.087 ( 0.000 -3.765 -3.357) 5.044 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -2.022 11.597 -1.084) 11.822 1.542 ( 4.899 12.099 1.463) 13.135 2.349 ( -1.547 15.661 -3.598) 16.143 2.608 ( 13.759 5.046 -3.987) 15.188 3.585 ( -10.812 1.386 7.914) 13.470 3.681 ( 3.477 -0.065 -4.896) 6.005 3.809 ( 3.048 14.537 3.733) 15.315 4.217 ( 7.119 3.738 7.640) 11.091 4.523 ( 7.761 0.615 -0.034) 7.785 4.828 ( 1.388 -1.703 -5.227) 5.670 5.207 ( -3.791 -12.745 0.243) 13.299 5.946 ( -10.612 -2.830 -5.961) 12.496 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 1.342 10.645 -3.079) 11.162 1.784 ( 8.007 13.143 2.808) 15.644 2.507 ( 2.531 15.392 -2.236) 15.758 2.856 ( 14.312 1.317 -6.227) 15.663 3.413 ( -11.735 -0.497 6.536) 13.442 3.719 ( 4.256 -3.546 -3.665) 6.642 4.065 ( 7.283 15.021 5.965) 17.727 4.311 ( 2.929 -2.769 5.283) 6.645 4.727 ( 13.308 -3.177 4.642) 14.448 4.808 ( 0.390 -1.510 -3.668) 3.986 5.053 ( -4.754 -1.662 -3.239) 5.988 5.661 ( -17.431 -1.398 -8.285) 19.351 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 4.617 9.800 -2.454) 11.108 2.057 ( 5.857 15.100 4.143) 16.718 2.686 ( 4.347 10.040 -2.015) 11.125 3.093 ( 12.568 4.759 -5.352) 14.465 3.256 ( -6.130 -2.157 5.112) 8.268 3.717 ( 1.752 -6.395 -1.310) 6.759 4.322 ( 5.757 1.319 -1.543) 6.105 4.361 ( 4.959 6.657 6.342) 10.446 4.705 ( -2.079 -10.206 6.653) 12.359 4.957 ( 7.374 5.683 -1.783) 9.479 5.005 ( 0.145 1.275 -3.585) 3.808 5.314 ( -18.461 0.038 -8.204) 20.202 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 4.219 7.877 -1.339) 9.036 2.265 ( -0.467 14.858 3.342) 15.236 2.826 ( 5.313 2.940 -2.409) 6.533 3.170 ( -4.320 6.185 4.345) 8.706 3.381 ( 12.186 4.889 -3.251) 13.526 3.643 ( -1.229 -6.182 -1.685) 6.524 4.342 ( 3.682 -6.064 -8.236) 10.870 4.531 ( 0.868 6.645 3.032) 7.355 4.593 ( -3.650 -4.536 7.579) 9.557 4.973 ( -9.235 3.093 -0.027) 9.739 5.086 ( 1.101 6.491 -3.388) 7.404 5.113 ( 4.998 -5.150 -1.002) 7.246 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 1.088 4.957 -0.597) 5.110 2.357 ( -4.419 12.161 2.318) 13.145 2.891 ( 2.387 -1.587 -4.440) 5.285 3.212 ( -4.034 11.864 2.759) 12.831 3.382 ( -7.097 -3.871 -2.224) 8.384 3.773 ( 12.706 9.337 -4.329) 16.351 4.240 ( -4.752 -5.619 -9.562) 12.066 4.548 ( -1.583 -2.003 5.529) 6.090 4.579 ( 0.918 0.794 4.767) 4.919 4.898 ( -1.950 1.598 3.532) 4.340 5.148 ( 3.776 -4.914 -0.952) 6.270 5.185 ( 4.663 2.668 0.056) 5.372 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -2.170 2.383 -0.642) 3.287 2.390 ( -5.567 10.739 2.465) 12.345 2.824 ( -4.286 -5.925 -4.745) 8.717 3.161 ( -8.430 4.489 -0.930) 9.596 3.361 ( 0.119 9.957 -2.641) 10.302 4.024 ( 1.957 4.801 -1.760) 5.475 4.085 ( -1.191 3.218 -9.763) 10.349 4.478 ( -4.071 -3.076 5.752) 7.689 4.653 ( 1.036 2.822 4.143) 5.118 4.934 ( 7.100 -6.479 6.670) 11.700 5.135 ( 0.602 -2.771 -3.586) 4.572 5.274 ( 4.471 -1.426 1.698) 4.990 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -2.976 1.018 -0.627) 3.207 2.377 ( -9.529 7.922 3.639) 12.915 2.666 ( -3.772 -5.115 -2.135) 6.704 3.102 ( -3.973 4.622 -0.182) 6.097 3.450 ( -0.810 10.813 -5.797) 12.296 3.889 ( -5.368 -5.800 -4.990) 9.347 4.210 ( -0.449 9.631 -0.790) 9.674 4.420 ( -1.797 0.631 1.346) 2.332 4.628 ( -8.166 1.308 3.726) 9.071 5.058 ( 12.110 -7.657 5.296) 15.275 5.112 ( 0.174 -0.346 -3.633) 3.654 5.317 ( 4.506 -5.534 1.569) 7.307 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -4.119 -0.095 -1.069) 4.256 2.214 ( -14.785 0.498 3.042) 15.103 2.632 ( 0.352 0.713 3.077) 3.178 3.111 ( -1.288 6.277 0.703) 6.447 3.468 ( -4.505 3.565 -8.662) 10.394 3.751 ( -2.086 -3.917 -3.312) 5.538 4.232 ( -4.559 4.048 5.652) 8.314 4.445 ( -7.564 5.135 0.248) 9.146 4.471 ( -2.322 -0.535 0.532) 2.442 5.098 ( -1.773 2.794 -3.823) 5.056 5.147 ( 1.730 -3.799 0.628) 4.221 5.376 ( 12.238 -10.219 1.018) 15.976 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 9.765 -4.140) 10.606 1.583 ( 0.000 8.140 -3.314) 8.789 2.461 ( -0.000 4.156 5.549) 6.932 2.560 ( 0.000 13.797 -9.876) 16.967 3.616 ( 0.000 -0.041 -7.154) 7.155 3.739 ( -0.000 1.730 11.307) 11.439 3.975 ( -0.000 12.858 7.603) 14.938 4.210 ( -0.000 7.463 4.600) 8.767 4.398 ( -0.000 -10.666 3.656) 11.275 4.801 ( 0.000 1.570 -5.805) 6.014 5.147 ( 0.000 -4.808 -2.597) 5.465 5.980 ( 0.000 -3.773 -7.429) 8.332 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -1.103 8.006 -5.402) 9.721 1.728 ( 9.449 7.733 -3.085) 12.594 2.598 ( 5.315 10.014 5.229) 12.484 2.660 ( 5.014 3.485 -7.116) 9.377 3.566 ( -5.292 -2.599 -3.207) 6.712 3.702 ( -4.503 -1.266 6.686) 8.160 4.131 ( 3.010 11.642 3.964) 12.662 4.278 ( 0.608 -1.490 8.412) 8.564 4.456 ( 12.776 -4.723 4.930) 14.486 4.813 ( 0.167 4.161 -5.261) 6.710 5.102 ( -2.344 1.854 -4.246) 5.192 5.837 ( -9.257 -3.415 -8.856) 13.258 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 3.160 7.911 -3.092) 9.063 2.011 ( 14.156 9.222 -0.244) 16.897 2.696 ( 2.101 1.690 -4.376) 5.140 2.892 ( 13.423 7.314 5.179) 16.140 3.388 ( -8.476 -4.251 1.418) 9.588 3.665 ( -0.833 -1.397 -0.753) 1.793 4.206 ( 3.412 -6.336 0.878) 7.250 4.418 ( 3.707 13.197 7.504) 15.627 4.606 ( 6.862 -4.696 6.681) 10.666 4.860 ( 3.439 2.358 -4.383) 6.049 5.080 ( -2.880 6.085 -4.740) 8.233 5.569 ( -15.175 -2.275 -8.829) 17.703 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 4.872 7.022 -0.964) 8.601 2.331 ( 10.127 10.532 1.472) 14.685 2.734 ( 4.795 -2.928 -0.310) 5.627 3.212 ( 12.532 6.840 4.165) 14.872 3.278 ( -1.199 2.154 1.319) 2.796 3.618 ( -2.017 -2.692 -2.184) 4.011 4.194 ( 3.259 -7.140 -2.004) 8.101 4.588 ( 1.312 6.771 0.923) 6.958 4.643 ( -1.871 1.264 6.657) 7.030 4.934 ( 6.878 -2.468 -2.656) 7.775 5.096 ( -1.612 5.637 -2.363) 6.321 5.267 ( -14.709 0.032 -5.871) 15.838 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 3.047 4.613 0.075) 5.529 2.510 ( 0.462 8.117 1.158) 8.213 2.796 ( 4.421 -3.122 0.767) 5.466 3.346 ( 4.000 9.918 1.336) 10.778 3.441 ( -0.610 -3.776 2.312) 4.469 3.620 ( 9.459 8.181 -2.219) 12.701 4.157 ( 1.645 -7.375 -5.349) 9.258 4.585 ( -2.857 -0.098 2.815) 4.012 4.637 ( -4.322 3.564 -1.018) 5.694 4.989 ( -4.219 -5.173 -0.005) 6.676 5.036 ( 2.611 0.836 1.205) 2.995 5.180 ( -0.258 4.712 -1.930) 5.098 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -0.395 2.078 0.154) 2.120 2.566 ( -2.671 8.050 2.027) 8.720 2.789 ( -0.213 -5.894 -1.539) 6.095 3.304 ( -7.756 -2.553 0.543) 8.184 3.524 ( -0.730 17.045 0.360) 17.064 3.946 ( 16.210 9.174 -3.411) 18.936 4.059 ( -2.687 -7.041 -6.203) 9.761 4.536 ( -5.034 -1.630 2.780) 5.977 4.606 ( 2.500 -1.386 3.833) 4.782 4.882 ( -2.761 -4.051 1.011) 5.006 5.091 ( 1.975 -0.254 -1.042) 2.247 5.221 ( 1.768 0.904 0.470) 2.040 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -2.843 0.771 0.110) 2.948 2.600 ( -4.707 8.767 3.817) 10.658 2.668 ( -4.549 -7.466 -1.965) 8.961 3.195 ( -4.471 0.954 2.831) 5.377 3.625 ( -4.801 13.873 -4.090) 15.240 3.906 ( -5.620 -5.114 -4.633) 8.900 4.257 ( 8.951 11.669 -6.737) 16.177 4.436 ( -3.437 -4.659 3.999) 7.036 4.707 ( 8.913 -3.551 7.483) 12.167 4.797 ( -1.575 -6.474 0.360) 6.673 5.103 ( 0.418 1.090 -3.047) 3.263 5.247 ( 1.330 -2.046 1.064) 2.662 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -3.547 0.462 0.355) 3.595 2.443 ( -11.767 -4.797 1.658) 12.815 2.661 ( -0.797 5.937 3.862) 7.127 3.180 ( -1.569 2.519 4.651) 5.517 3.584 ( -5.880 0.274 -8.390) 10.249 3.780 ( -5.958 3.574 -3.664) 7.855 4.336 ( -3.318 -1.713 7.614) 8.480 4.442 ( 2.854 5.221 -6.894) 9.107 4.654 ( -9.392 -0.045 1.911) 9.584 4.903 ( 16.462 -10.343 2.076) 19.553 5.127 ( 1.563 3.778 -3.855) 5.619 5.228 ( -0.803 -3.163 0.349) 3.282 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 5.971 -7.698) 9.742 1.668 ( 0.000 4.224 -5.205) 6.704 2.608 ( -0.000 5.776 6.907) 9.004 2.672 ( 0.000 2.795 -3.989) 4.870 3.592 ( 0.000 1.751 -5.457) 5.731 3.720 ( -0.000 -11.841 9.559) 15.218 4.135 ( -0.000 -6.464 2.569) 6.956 4.355 ( -0.000 12.346 11.436) 16.829 4.365 ( -0.000 6.014 2.554) 6.534 4.837 ( 0.000 3.907 -4.747) 6.148 5.140 ( 0.000 4.988 -5.057) 7.103 5.847 ( 0.000 -4.173 -9.750) 10.605 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 1.317 5.464 -4.410) 7.144 1.815 ( 13.433 4.183 -4.400) 14.741 2.643 ( 0.255 -2.727 -0.762) 2.843 2.794 ( 9.976 5.341 6.952) 13.281 3.481 ( -8.459 -5.534 0.827) 10.142 3.661 ( 0.767 -2.857 0.217) 2.967 4.104 ( 1.967 -5.994 3.729) 7.328 4.478 ( 5.319 3.545 1.752) 6.628 4.548 ( 2.539 13.852 10.153) 17.361 4.848 ( -0.419 1.559 -4.431) 4.716 5.166 ( -1.675 6.841 -5.303) 8.817 5.706 ( -7.988 -3.704 -9.667) 13.076 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 4.724 5.098 -0.909) 7.009 2.136 ( 19.399 4.913 -2.802) 20.207 2.627 ( 3.108 -5.303 2.743) 6.731 3.073 ( 13.909 3.246 7.571) 16.166 3.315 ( -5.283 -2.838 -0.095) 5.998 3.646 ( -1.576 1.897 -2.128) 3.257 4.091 ( 1.765 -5.927 3.093) 6.915 4.594 ( 4.102 2.701 0.324) 4.922 4.738 ( 0.291 10.075 9.020) 13.526 4.826 ( 1.365 -1.118 -6.007) 6.261 5.181 ( -2.547 6.125 -4.302) 7.906 5.468 ( -12.590 -2.320 -7.479) 14.826 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 4.765 2.997 0.400) 5.643 2.451 ( 12.045 2.838 -4.129) 13.046 2.698 ( 7.222 -1.655 7.109) 10.268 3.264 ( 5.645 0.120 1.643) 5.881 3.325 ( 8.869 -4.026 0.958) 9.787 3.672 ( 0.002 10.406 1.013) 10.455 4.063 ( 0.853 -6.091 1.311) 6.289 4.649 ( -2.054 2.730 -0.693) 3.486 4.730 ( -2.157 0.414 -3.295) 3.960 4.916 ( 3.331 3.391 1.122) 4.884 5.124 ( -7.692 -1.722 -1.325) 7.993 5.268 ( -6.191 3.186 -3.303) 7.706 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 2.444 0.668 0.390) 2.563 2.598 ( 5.623 2.363 -1.293) 6.235 2.757 ( -1.019 -2.796 1.784) 3.470 3.334 ( 0.368 -5.512 -2.006) 5.877 3.511 ( 17.527 5.240 1.418) 18.349 3.843 ( 3.395 10.959 5.584) 12.759 4.014 ( -0.092 -4.168 -0.820) 4.248 4.587 ( -2.968 -1.770 -1.797) 3.895 4.684 ( -7.628 4.570 -4.209) 9.838 4.886 ( -3.483 -4.850 0.623) 6.003 5.059 ( 1.755 0.003 1.919) 2.601 5.239 ( -1.825 2.314 -1.077) 3.137 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -0.416 -0.620 0.018) 0.747 2.658 ( -3.238 -6.885 -0.269) 7.613 2.704 ( 1.691 5.508 0.286) 5.769 3.273 ( -2.470 -1.091 0.055) 2.701 3.726 ( -0.305 -3.529 -0.397) 3.564 4.025 ( -4.324 11.402 1.881) 12.338 4.045 ( 17.448 2.982 -1.543) 17.768 4.519 ( -5.543 -2.836 0.185) 6.229 4.554 ( -2.109 -3.540 -0.236) 4.127 4.828 ( -1.168 -1.246 0.086) 1.710 5.092 ( 1.237 0.402 -0.126) 1.307 5.230 ( -0.327 0.010 0.067) 0.334 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -1.993 -0.718 0.326) 2.143 2.509 ( -5.448 -8.044 -0.124) 9.716 2.780 ( -0.900 7.173 2.576) 7.675 3.251 ( -1.547 2.318 4.026) 4.897 3.573 ( -4.769 -11.202 -4.989) 13.157 4.012 ( -10.455 11.109 -0.265) 15.258 4.328 ( 3.753 -2.738 -2.389) 5.224 4.440 ( 4.902 6.647 -0.659) 8.285 4.533 ( 7.004 -11.402 0.535) 13.392 4.789 ( -3.472 -0.620 2.642) 4.406 5.117 ( 1.264 1.796 -1.650) 2.747 5.231 ( 0.036 0.566 0.107) 0.577 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.000 3.739 -4.031) 5.498 1.708 ( 0.000 3.009 -2.853) 4.147 2.625 ( -0.000 -7.064 4.011) 8.124 2.737 ( -0.000 3.285 4.026) 5.196 3.521 ( -0.000 -9.461 4.293) 10.390 3.612 ( 0.000 2.842 -2.623) 3.868 4.054 ( -0.000 -4.317 4.474) 6.217 4.469 ( -0.000 3.613 0.113) 3.615 4.703 ( -0.000 14.065 8.505) 16.436 4.851 ( 0.000 0.369 -3.529) 3.548 5.230 ( 0.000 6.835 -5.420) 8.723 5.706 ( 0.000 -3.444 -9.668) 10.263 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 3.002 3.241 -0.162) 4.420 1.859 ( 14.515 2.997 -1.588) 14.906 2.555 ( 0.128 -6.640 6.003) 8.952 2.877 ( 11.258 -0.159 3.087) 11.675 3.396 ( -6.352 -3.175 2.142) 7.417 3.663 ( 1.929 2.878 -0.537) 3.506 4.034 ( 0.638 -4.270 4.024) 5.902 4.534 ( 4.317 1.843 -0.924) 4.784 4.803 ( -0.773 -0.424 -7.406) 7.458 4.873 ( -0.572 9.703 10.181) 14.076 5.261 ( -1.717 5.600 -4.951) 7.669 5.589 ( -7.046 -1.744 -8.130) 10.899 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 4.707 1.358 1.015) 5.003 2.184 ( 19.105 2.398 -2.776) 19.454 2.580 ( 5.842 -2.856 9.721) 11.695 3.075 ( 12.910 -4.378 -0.462) 13.640 3.286 ( -4.592 -0.410 1.182) 4.759 3.745 ( 2.656 6.924 2.804) 7.928 4.011 ( 0.191 -4.523 3.278) 5.589 4.631 ( 6.031 0.512 -2.067) 6.396 4.721 ( -3.089 -3.128 -6.912) 8.191 4.979 ( -0.448 6.757 6.788) 9.588 5.233 ( -5.616 2.196 -4.442) 7.490 5.412 ( -9.610 1.285 -4.589) 10.727 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 4.245 -0.600 0.636) 4.334 2.454 ( 12.363 1.341 -4.391) 13.188 2.704 ( 4.958 -4.093 7.179) 9.637 3.198 ( 7.824 -4.758 -3.879) 9.945 3.304 ( 8.093 2.134 2.564) 8.753 3.893 ( 2.750 2.072 9.044) 9.677 3.993 ( 1.917 2.856 1.373) 3.704 4.601 ( -2.969 -4.878 -6.518) 8.666 4.729 ( 4.212 1.918 -3.036) 5.535 5.024 ( -5.971 5.479 0.258) 8.108 5.061 ( -8.268 -3.081 0.733) 8.854 5.309 ( -4.575 2.034 -1.499) 5.226 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 2.273 -1.835 -0.147) 2.925 2.631 ( 6.686 2.242 -1.476) 7.204 2.658 ( -0.780 -8.042 -0.953) 8.136 3.232 ( 3.102 -2.389 -4.789) 6.186 3.581 ( 14.921 0.372 4.859) 15.697 3.861 ( 0.771 -6.738 4.666) 8.232 4.188 ( 4.550 12.999 7.253) 15.565 4.485 ( -2.689 -5.206 -5.648) 8.138 4.773 ( -10.316 7.254 -6.025) 13.977 4.796 ( -3.853 -5.448 0.464) 6.689 5.072 ( 1.770 0.316 3.106) 3.589 5.255 ( -2.663 -0.104 -0.598) 2.731 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.000 2.833 2.729) 3.934 1.758 ( -0.000 2.948 0.858) 3.071 2.520 ( -0.000 -5.568 8.680) 10.313 2.773 ( 0.000 -0.929 -0.112) 0.936 3.441 ( -0.000 -2.087 3.230) 3.845 3.663 ( -0.000 2.850 0.710) 2.937 4.005 ( -0.000 -3.176 2.794) 4.230 4.502 ( 0.000 0.500 -2.379) 2.431 4.768 ( 0.000 -3.396 -8.410) 9.070 4.995 ( -0.000 7.006 10.121) 12.309 5.309 ( 0.000 4.287 -4.709) 6.368 5.620 ( 0.000 1.184 -7.407) 7.501 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 1.570 1.503 3.018) 3.719 1.921 ( 13.633 3.067 1.995) 14.116 2.530 ( 2.008 -0.530 10.521) 10.724 2.835 ( 9.108 -4.143 -2.395) 10.289 3.383 ( -5.577 -0.093 2.788) 6.235 3.739 ( 4.403 3.348 3.522) 6.557 3.985 ( -0.025 -2.446 1.602) 2.924 4.525 ( 3.998 -1.488 -3.573) 5.565 4.688 ( -0.602 -5.509 -8.741) 10.349 5.063 ( -1.004 2.255 8.794) 9.134 5.310 ( -2.266 2.571 -4.211) 5.430 5.569 ( -6.780 4.646 -5.421) 9.846 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 3.134 -0.421 1.746) 3.612 2.203 ( 15.604 0.656 -1.617) 15.702 2.631 ( 3.726 0.088 10.605) 11.240 2.956 ( 12.268 -4.761 -4.137) 13.795 3.315 ( -3.379 2.157 2.898) 4.946 3.865 ( 3.671 -1.238 7.900) 8.799 3.992 ( 2.782 3.614 0.728) 4.619 4.534 ( 1.398 -5.936 -7.339) 9.542 4.636 ( 4.277 -3.422 -5.231) 7.575 5.066 ( -1.575 -1.396 7.014) 7.323 5.250 ( -6.258 2.207 -4.050) 7.774 5.458 ( -10.337 5.441 -2.697) 11.988 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 3.119 -2.044 0.423) 3.752 2.416 ( 12.612 -4.348 -4.624) 14.119 2.645 ( -1.680 -3.139 2.513) 4.358 3.116 ( 8.466 -1.284 -3.120) 9.113 3.390 ( 8.767 3.207 6.461) 11.353 3.836 ( -2.287 -6.949 5.973) 9.445 4.183 ( 8.811 7.879 4.371) 12.602 4.458 ( -0.756 -4.291 -6.184) 7.565 4.667 ( 4.962 -6.472 -4.174) 9.162 5.057 ( -0.815 0.664 4.707) 4.823 5.113 ( -11.888 4.552 -3.147) 13.112 5.328 ( -7.761 1.041 -0.668) 7.859 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -0.000 3.306 5.242) 6.197 1.830 ( -0.000 2.521 4.149) 4.855 2.561 ( -0.000 2.782 11.184) 11.525 2.702 ( 0.000 -4.962 -3.515) 6.081 3.457 ( -0.000 1.337 4.207) 4.414 3.727 ( -0.000 2.130 3.785) 4.344 3.970 ( 0.000 -1.219 -0.182) 1.233 4.457 ( 0.000 -2.781 -4.577) 5.356 4.587 ( 0.000 -9.356 -9.135) 13.076 5.105 ( -0.000 -1.067 8.095) 8.165 5.332 ( 0.000 0.630 -3.425) 3.482 5.673 ( 0.000 7.675 -5.033) 9.178 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -1.668 1.143 3.957) 4.443 1.983 ( 11.092 0.765 2.889) 11.488 2.644 ( 0.877 2.325 8.069) 8.443 2.714 ( 8.870 -3.759 -1.544) 9.757 3.435 ( -5.616 3.549 4.325) 7.927 3.811 ( 4.350 0.178 6.236) 7.605 3.975 ( 2.033 1.673 -1.018) 2.823 4.422 ( 1.515 -6.440 -6.894) 9.555 4.486 ( 3.835 -8.865 -6.655) 11.730 5.096 ( -1.353 -2.718 6.818) 7.463 5.303 ( -1.901 -1.157 -2.717) 3.512 5.676 ( -7.204 8.308 -4.257) 11.792 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.589 -1.659 2.385) 2.965 2.154 ( 10.835 -5.661 -1.574) 12.325 2.649 ( -0.139 -1.964 -1.155) 2.283 2.915 ( 12.786 1.380 4.303) 13.561 3.410 ( -2.984 4.302 5.556) 7.634 3.826 ( -1.302 -5.013 4.941) 7.159 4.106 ( 7.859 4.444 0.480) 9.042 4.367 ( 3.877 -5.639 -5.186) 8.586 4.489 ( 5.760 -7.385 -4.842) 10.543 5.069 ( -0.539 -2.133 5.475) 5.900 5.233 ( -3.500 -1.910 -1.986) 4.454 5.567 ( -13.002 7.056 -3.198) 15.135 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -0.000 -0.281 3.497) 3.508 1.887 ( -0.000 -0.597 4.830) 4.867 2.558 ( 0.000 -6.316 -3.984) 7.468 2.725 ( -0.000 5.925 9.371) 11.087 3.563 ( -0.000 6.113 6.304) 8.781 3.792 ( -0.000 1.338 6.067) 6.213 3.960 ( 0.000 1.375 -2.826) 3.143 4.303 ( 0.000 -13.700 -6.514) 15.170 4.340 ( 0.000 -5.565 -6.162) 8.303 5.095 ( -0.000 -3.957 5.824) 7.041 5.290 ( 0.000 -2.845 -2.065) 3.515 5.805 ( 0.000 8.276 -5.035) 9.687 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -2.819 -3.666 3.075) 5.554 1.945 ( 6.549 -6.644 0.525) 9.344 2.552 ( 5.547 -4.215 -2.834) 7.521 2.831 ( 3.870 4.927 6.508) 9.033 3.567 ( -6.975 4.236 6.810) 10.629 3.822 ( -0.876 -2.126 4.918) 5.430 4.018 ( 5.145 1.161 -3.653) 6.416 4.205 ( 4.629 -7.717 -1.706) 9.159 4.316 ( 5.895 -4.541 -5.479) 9.240 5.063 ( -0.545 -4.542 4.656) 6.527 5.240 ( -1.500 -3.478 -1.427) 4.048 5.801 ( -7.413 7.178 -5.226) 11.566 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.000 -8.980 0.887) 9.023 1.816 ( 0.000 -9.208 -0.159) 9.209 2.462 ( -0.000 -1.669 1.520) 2.257 2.848 ( -0.000 1.328 1.094) 1.721 3.666 ( -0.000 -5.739 6.056) 8.344 3.854 ( -0.000 0.700 6.891) 6.926 3.946 ( 0.000 -2.824 -3.690) 4.647 4.155 ( -0.000 8.157 2.671) 8.583 4.172 ( 0.000 -7.252 -6.619) 9.818 5.030 ( -0.000 -5.649 3.585) 6.691 5.213 ( 0.000 -3.479 -1.337) 3.727 5.909 ( 0.000 6.154 -6.722) 9.113 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -0.000 0.000 18.596) 18.596 0.585 ( -0.000 0.000 18.596) 18.596 0.957 ( -0.000 0.000 30.296) 30.296 2.697 ( 0.000 -0.000 -6.356) 6.356 2.697 ( 0.000 -0.000 -6.356) 6.356 3.529 ( -0.000 0.000 5.369) 5.369 3.529 ( -0.000 0.000 5.369) 5.369 3.955 ( 0.000 -0.000 -2.221) 2.221 3.955 ( 0.000 -0.000 -2.221) 2.221 4.835 ( 0.000 -0.000 -13.173) 13.173 6.094 ( -0.000 0.000 8.396) 8.396 6.547 ( 0.000 -0.000 -0.551) 0.551 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -0.091 -0.052 20.415) 20.415 0.701 ( 6.578 3.798 14.318) 16.208 1.233 ( 16.216 9.362 15.151) 24.086 2.716 ( 7.136 4.120 -3.896) 9.114 2.758 ( 2.737 1.580 -5.041) 5.950 3.469 ( -2.157 -1.245 2.840) 3.778 3.725 ( 10.892 6.288 7.274) 14.529 4.034 ( 3.751 2.166 -0.324) 4.343 4.147 ( 14.693 8.483 -13.000) 21.374 4.824 ( 2.608 1.506 -13.330) 13.666 6.028 ( -7.879 -4.549 7.987) 12.106 6.309 ( -17.088 -9.866 5.118) 20.385 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 3.431 1.981 12.279) 12.902 0.928 ( 9.845 5.684 8.366) 14.114 1.659 ( 18.018 10.403 0.094) 20.806 2.787 ( 0.991 0.572 -2.765) 2.992 2.968 ( 14.805 8.548 4.433) 17.661 3.452 ( 0.307 0.177 -0.955) 1.018 4.029 ( 12.906 7.451 7.901) 16.868 4.116 ( 3.367 1.944 1.141) 4.052 4.384 ( 10.253 5.920 -11.881) 16.773 4.865 ( 4.585 2.647 -11.338) 12.513 5.805 ( -14.600 -8.429 6.626) 18.114 5.916 ( -17.982 -10.382 2.768) 20.947 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 9.614 5.551 1.134) 11.159 1.176 ( 10.294 5.943 3.582) 12.414 2.021 ( 15.266 8.814 -4.680) 18.239 2.790 ( -0.144 -0.083 -0.356) 0.393 3.376 ( 18.656 10.771 10.497) 23.964 3.474 ( 2.352 1.358 -4.512) 5.266 4.191 ( 2.781 1.606 2.309) 3.955 4.301 ( 8.690 5.017 5.411) 11.401 4.562 ( 9.013 5.204 -8.219) 13.262 4.954 ( 5.548 3.203 -5.898) 8.708 5.383 ( -22.782 -13.153 2.753) 26.450 5.579 ( -13.356 -7.711 -1.116) 15.463 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 12.109 6.991 -4.626) 14.727 1.403 ( 9.376 5.413 -0.110) 10.826 2.331 ( 13.782 7.957 -2.959) 16.187 2.782 ( -0.695 -0.401 1.620) 1.808 3.525 ( 3.764 2.173 -6.609) 7.911 3.830 ( 17.950 10.364 11.313) 23.614 4.256 ( 2.241 1.294 3.423) 4.292 4.445 ( 2.275 1.313 5.022) 5.667 4.736 ( 8.493 4.903 -6.519) 11.776 4.861 ( -21.975 -12.687 -2.027) 25.456 5.022 ( -1.821 -1.051 -2.584) 3.331 5.328 ( -5.686 -3.283 -2.573) 7.051 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 11.291 6.519 -6.385) 14.517 1.591 ( 7.834 4.523 -2.796) 9.469 2.620 ( 12.376 7.145 -1.662) 14.386 2.769 ( -1.173 -0.677 3.192) 3.467 3.597 ( 4.539 2.621 -7.099) 8.824 4.202 ( 2.143 1.237 7.242) 7.653 4.248 ( -10.725 -6.192 -0.828) 12.412 4.313 ( 1.649 0.952 4.538) 4.921 4.608 ( -0.692 -0.400 1.827) 1.994 4.809 ( -6.920 -3.995 -2.305) 8.316 4.943 ( 6.955 4.016 -5.236) 9.588 5.333 ( 2.891 1.669 0.143) 3.342 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 8.137 4.698 -6.356) 11.343 1.737 ( 6.289 3.631 -4.400) 8.491 2.746 ( -2.044 -1.180 4.344) 4.944 2.847 ( 7.995 4.616 -5.720) 10.860 3.679 ( 4.627 2.671 -6.534) 8.440 3.783 ( -15.775 -9.108 -6.031) 19.188 4.305 ( -6.558 -3.786 -3.500) 8.342 4.355 ( 0.630 0.364 5.505) 5.553 4.584 ( -1.747 -1.008 10.525) 10.717 4.805 ( 7.545 4.356 3.283) 9.310 5.129 ( 9.116 5.263 -3.179) 10.996 5.380 ( 0.743 0.429 1.401) 1.643 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 3.823 2.207 -5.642) 7.164 1.847 ( 4.870 2.812 -5.011) 7.532 2.700 ( -3.446 -1.990 4.862) 6.283 2.902 ( 0.384 0.222 -15.534) 15.540 3.558 ( -2.874 -1.659 -3.961) 5.167 3.757 ( 4.036 2.330 -5.772) 7.418 4.089 ( -9.292 -5.365 -0.167) 10.731 4.371 ( -1.018 -0.588 6.200) 6.311 4.565 ( -3.020 -1.744 4.470) 5.670 5.031 ( 8.904 5.141 9.376) 13.915 5.281 ( 3.583 2.068 -5.720) 7.059 5.401 ( 2.388 1.379 5.590) 6.233 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 1.366 0.788 -4.280) 4.562 1.920 ( 2.789 1.610 -4.781) 5.765 2.622 ( -4.753 -2.744 4.424) 7.050 2.843 ( 0.270 0.156 -16.961) 16.964 3.553 ( 2.389 1.379 -5.056) 5.759 3.818 ( 2.926 1.689 -5.543) 6.492 3.946 ( -3.444 -1.989 2.572) 4.737 4.346 ( -3.050 -1.761 6.615) 7.494 4.463 ( -7.328 -4.231 3.120) 9.019 5.204 ( 2.710 1.564 4.495) 5.477 5.254 ( -1.728 -0.997 -1.646) 2.586 5.548 ( 7.367 4.253 6.917) 10.964 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -1.078 -0.622 -1.771) 2.165 1.926 ( -1.504 -0.869 -3.174) 3.618 2.527 ( -4.297 -2.481 2.318) 5.476 2.821 ( 1.696 0.979 -10.049) 10.238 3.631 ( 6.278 3.625 -7.650) 10.540 3.851 ( 1.636 0.945 -6.058) 6.346 3.931 ( 0.581 0.335 2.763) 2.843 4.261 ( -10.685 -6.169 2.342) 12.558 4.277 ( -4.951 -2.858 6.764) 8.857 5.145 ( -3.989 -2.303 -4.349) 6.335 5.261 ( -1.403 -0.810 3.960) 4.279 5.742 ( 7.331 4.232 7.931) 11.600 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.000 5.938 17.258) 18.251 0.830 ( -0.000 10.582 14.485) 17.939 1.275 ( -0.000 15.729 16.447) 22.757 2.553 ( 0.000 -5.190 -6.084) 7.997 2.884 ( 0.000 17.169 -4.191) 17.673 3.529 ( -0.000 1.055 4.666) 4.784 3.686 ( -0.000 6.451 6.039) 8.836 3.851 ( 0.000 -3.855 -4.126) 5.647 4.211 ( 0.000 15.021 -6.595) 16.405 4.784 ( 0.000 3.338 -13.233) 13.647 6.048 ( -0.000 -10.215 7.958) 12.949 6.374 ( -0.000 -12.237 2.861) 12.567 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -2.080 5.096 15.212) 16.177 0.980 ( 0.784 13.619 10.633) 17.296 1.569 ( 8.741 18.577 2.386) 20.669 2.603 ( 11.556 -3.912 -3.016) 12.567 3.043 ( -0.858 19.239 -0.037) 19.259 3.497 ( -4.255 2.033 2.770) 5.469 3.861 ( 11.715 -1.490 -0.417) 11.817 3.966 ( 12.639 2.920 3.270) 13.378 4.332 ( 2.716 9.820 -7.036) 12.382 4.799 ( 2.352 3.835 -11.656) 12.494 5.893 ( -6.679 -14.371 6.830) 17.256 6.138 ( -14.844 -8.781 2.212) 17.388 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.848 7.845 6.964) 10.524 1.186 ( 3.605 14.601 6.224) 16.277 1.893 ( 10.840 14.793 -4.799) 18.957 2.760 ( 7.451 1.189 -2.727) 8.023 3.255 ( 6.026 11.587 8.237) 15.441 3.494 ( 0.734 6.198 -0.459) 6.258 4.011 ( 12.103 -7.102 -3.221) 14.398 4.237 ( 9.263 5.835 7.348) 13.185 4.462 ( 6.367 7.325 -7.311) 12.151 4.866 ( 5.288 3.543 -7.950) 10.184 5.598 ( -13.271 -16.093 6.065) 21.723 5.771 ( -19.273 -5.639 -1.496) 20.137 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 6.542 9.421 -0.389) 11.476 1.408 ( 3.640 14.954 2.894) 15.661 2.197 ( 11.871 11.807 -3.603) 17.126 2.836 ( -0.828 5.557 -1.833) 5.910 3.403 ( 6.035 -2.888 -0.222) 6.694 3.738 ( 11.988 15.023 7.891) 20.776 4.109 ( 9.278 -8.479 -1.330) 12.639 4.402 ( 4.767 1.667 3.568) 6.183 4.637 ( 7.658 7.366 -6.462) 12.436 4.981 ( 5.506 2.483 -3.803) 7.138 5.183 ( -22.145 -9.190 3.159) 24.184 5.414 ( -13.379 -8.038 -2.137) 15.753 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 8.996 8.835 -3.594) 13.111 1.608 ( 2.193 14.990 0.108) 15.150 2.494 ( 11.528 9.828 -1.438) 15.217 2.851 ( -3.675 6.458 0.982) 7.495 3.475 ( 7.264 -2.694 -4.947) 9.192 4.076 ( 8.299 -5.479 5.574) 11.400 4.156 ( 7.371 2.179 2.398) 8.052 4.468 ( 1.192 -0.748 1.467) 2.033 4.760 ( -18.022 3.189 -4.256) 18.790 4.816 ( 5.260 6.170 -3.295) 8.752 4.942 ( -8.738 -5.160 -2.064) 10.356 5.269 ( 3.843 -3.461 2.789) 5.875 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 7.975 6.675 -4.481) 11.324 1.770 ( 0.505 14.412 -2.041) 14.564 2.727 ( 6.438 5.077 -3.958) 9.105 2.868 ( -2.622 8.392 4.354) 9.811 3.562 ( 7.237 -1.778 -6.436) 9.846 3.873 ( -9.881 -15.427 -3.715) 18.693 4.342 ( 0.043 3.108 -3.226) 4.480 4.448 ( -4.122 4.949 1.822) 6.694 4.635 ( -2.745 0.053 4.777) 5.509 4.760 ( -0.324 -0.664 5.200) 5.252 5.014 ( 9.138 5.728 -3.636) 11.382 5.335 ( 4.181 -2.668 3.096) 5.847 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 4.855 3.439 -4.461) 7.436 1.892 ( -0.832 12.990 -3.162) 13.395 2.775 ( -1.339 3.278 -3.979) 5.326 2.913 ( -4.358 5.319 -2.499) 7.317 3.522 ( -2.365 -9.690 -6.313) 11.804 3.723 ( 3.048 3.841 -4.171) 6.438 4.202 ( -9.568 -3.360 -5.224) 11.408 4.447 ( -3.475 4.401 4.651) 7.285 4.602 ( -1.668 -2.406 6.548) 7.172 4.933 ( 10.654 3.539 8.317) 13.972 5.196 ( 7.246 3.548 -3.916) 8.968 5.366 ( 2.630 -3.542 4.459) 6.273 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 2.157 0.292 -4.470) 4.971 1.974 ( -2.050 10.915 -3.188) 11.554 2.760 ( -6.025 5.920 0.739) 8.479 2.808 ( -4.354 0.090 -12.952) 13.665 3.452 ( 3.642 -5.540 -4.075) 7.782 3.824 ( 2.306 7.745 -4.698) 9.347 4.017 ( -6.838 -2.189 -1.077) 7.260 4.428 ( -4.464 1.492 6.150) 7.745 4.551 ( -4.629 -1.943 4.738) 6.903 5.150 ( 7.630 1.317 6.158) 9.893 5.243 ( 0.195 -2.071 -3.564) 4.127 5.450 ( 8.064 -0.917 6.050) 10.123 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 1.917 -1.572 -3.723) 4.473 2.007 ( -4.294 7.939 -2.243) 9.300 2.650 ( -8.336 0.940 3.203) 8.980 2.785 ( 0.429 5.271 -12.596) 13.661 3.482 ( 6.862 -3.177 -5.290) 9.228 3.872 ( -2.634 3.843 -6.116) 7.689 3.962 ( -0.026 3.636 1.656) 3.995 4.358 ( -6.322 -2.327 6.139) 9.114 4.432 ( -9.440 -0.153 4.684) 10.539 5.155 ( -2.125 -2.940 -5.396) 6.502 5.267 ( 1.276 -1.571 4.757) 5.170 5.624 ( 10.775 -1.339 6.427) 12.618 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -0.000 7.541 11.628) 13.859 1.136 ( -0.000 12.631 8.086) 14.998 1.733 ( -0.000 24.380 0.358) 24.383 2.440 ( 0.000 -2.999 -2.503) 3.906 3.252 ( -0.000 20.925 -1.775) 21.001 3.615 ( -0.000 3.658 7.854) 8.664 3.711 ( 0.000 -3.300 -5.837) 6.705 3.895 ( -0.000 7.226 5.911) 9.335 4.375 ( 0.000 6.774 -4.066) 7.901 4.781 ( 0.000 3.507 -9.853) 10.458 5.803 ( -0.000 -19.186 5.674) 20.007 6.187 ( 0.000 -7.907 -0.669) 7.935 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -2.794 8.664 6.292) 11.066 1.302 ( 2.719 13.421 5.310) 14.688 1.952 ( 0.745 21.248 -5.495) 21.960 2.556 ( 13.523 0.298 -0.911) 13.557 3.436 ( -2.379 19.000 3.032) 19.387 3.577 ( -5.923 3.442 5.620) 8.860 3.743 ( 8.952 -4.161 -6.129) 11.620 4.135 ( 12.199 6.859 7.424) 15.842 4.440 ( 2.421 5.752 -3.496) 7.153 4.805 ( 2.691 2.518 -6.957) 7.873 5.577 ( -4.979 -20.900 4.431) 21.937 6.001 ( -12.682 -5.275 -3.585) 14.195 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.328 10.167 0.948) 10.217 1.519 ( 4.326 15.181 4.477) 16.408 2.169 ( 5.412 17.056 -4.994) 18.578 2.789 ( 11.375 3.192 -4.571) 12.667 3.419 ( -8.397 2.307 6.951) 11.143 3.723 ( 7.959 9.856 2.471) 12.907 3.862 ( 10.257 -0.753 -2.794) 10.658 4.350 ( 5.046 1.100 6.009) 7.923 4.578 ( 6.909 8.782 -4.591) 12.081 4.884 ( 6.549 1.178 -2.510) 7.111 5.284 ( -7.881 -18.894 4.797) 21.027 5.666 ( -19.814 -2.658 -7.080) 21.208 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 4.837 10.746 -1.442) 11.872 1.752 ( 2.450 17.386 3.696) 17.943 2.428 ( 8.495 13.709 -2.556) 16.329 2.950 ( 3.616 7.429 -5.060) 9.689 3.345 ( -0.600 -3.832 3.495) 5.221 3.864 ( 7.856 -8.693 -2.246) 11.930 4.107 ( 9.309 12.963 5.285) 16.812 4.412 ( 2.683 -2.355 2.286) 4.239 4.754 ( 5.751 7.914 -5.618) 11.281 4.972 ( -5.487 -3.432 -2.637) 6.988 5.038 ( 1.427 -8.392 9.726) 12.925 5.282 ( -17.680 -1.430 -8.389) 19.622 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 5.934 9.745 -2.054) 11.593 1.947 ( -1.107 18.229 2.077) 18.380 2.671 ( 6.972 9.304 -3.005) 12.008 3.031 ( -3.027 10.488 2.334) 11.163 3.371 ( 8.564 -4.595 -3.547) 10.346 3.815 ( -1.124 -11.971 -2.119) 12.209 4.349 ( 3.318 5.651 -2.095) 6.880 4.447 ( 4.810 0.413 1.589) 5.083 4.756 ( -6.485 -7.275 6.399) 11.659 4.886 ( -13.825 4.392 -4.129) 15.082 4.935 ( 5.291 7.577 -3.305) 9.815 5.211 ( 6.945 -4.900 3.391) 9.151 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 3.761 7.279 -2.007) 8.435 2.079 ( -3.818 16.750 0.752) 17.196 2.794 ( 1.203 5.966 -7.792) 9.887 3.082 ( -4.422 8.022 7.031) 11.547 3.439 ( 0.798 -4.714 -7.946) 9.274 3.677 ( 1.929 -2.116 -2.966) 4.123 4.290 ( -6.277 -2.743 -9.699) 11.874 4.540 ( 0.913 3.217 3.125) 4.577 4.644 ( -4.303 -3.481 8.574) 10.205 4.842 ( 3.959 4.408 3.327) 6.795 5.104 ( 6.949 4.869 -1.625) 8.639 5.270 ( 4.816 -6.022 3.641) 8.527 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.076 3.961 -2.070) 4.470 2.155 ( -5.007 14.137 0.346) 15.001 2.805 ( -1.989 4.804 -12.781) 13.798 3.026 ( -11.799 5.796 4.300) 13.831 3.338 ( 1.157 -5.087 -4.163) 6.674 3.818 ( 6.752 8.812 -4.069) 11.824 4.108 ( -7.632 -2.886 -6.196) 10.245 4.551 ( -5.619 0.551 6.557) 8.653 4.600 ( -0.231 0.713 4.233) 4.298 5.017 ( 10.320 0.042 5.940) 11.907 5.193 ( 1.712 -2.153 -3.387) 4.363 5.320 ( 6.500 -3.455 4.624) 8.693 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -1.373 1.636 -2.252) 3.104 2.191 ( -6.111 11.687 0.847) 13.216 2.729 ( -4.157 -1.162 -8.804) 9.805 2.931 ( -8.656 10.292 0.152) 13.449 3.347 ( 4.168 -1.430 -3.646) 5.719 3.942 ( -4.706 1.362 -7.657) 9.091 3.998 ( 2.153 6.758 -0.704) 7.127 4.464 ( -5.845 -2.214 7.049) 9.421 4.591 ( -5.758 2.879 4.297) 7.740 5.128 ( -0.086 -2.551 -5.667) 6.215 5.200 ( 6.650 -4.118 6.380) 10.094 5.427 ( 9.275 -4.675 3.556) 10.978 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.000 8.714 1.954) 8.931 1.394 ( -0.000 10.508 0.584) 10.524 2.168 ( 0.000 22.134 -8.286) 23.634 2.423 ( -0.000 1.199 3.558) 3.755 3.610 ( -0.000 14.998 1.665) 15.090 3.613 ( 0.000 -2.088 -6.870) 7.181 3.790 ( -0.000 8.094 12.314) 14.736 4.079 ( -0.000 7.601 5.327) 9.281 4.457 ( 0.000 3.249 -0.496) 3.287 4.779 ( 0.000 0.985 -5.531) 5.618 5.417 ( 0.000 -21.187 1.780) 21.262 6.040 ( 0.000 -5.305 -6.315) 8.247 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -1.953 8.726 -2.126) 9.191 1.548 ( 6.827 10.111 -0.286) 12.203 2.307 ( -1.256 18.671 -5.271) 19.441 2.588 ( 11.859 2.796 0.240) 12.187 3.592 ( 0.016 -2.131 -5.415) 5.820 3.707 ( -7.268 3.528 9.321) 12.335 3.849 ( 2.273 16.649 4.244) 17.331 4.287 ( 7.579 3.529 6.827) 10.794 4.527 ( 6.379 3.709 0.606) 7.404 4.786 ( 2.858 -1.930 -3.239) 4.731 5.206 ( -3.308 -15.687 -0.302) 16.035 5.874 ( -10.883 -3.886 -8.890) 14.580 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 1.964 9.666 -2.536) 10.184 1.807 ( 10.082 12.034 1.903) 15.814 2.478 ( 2.393 16.436 -3.819) 17.042 2.814 ( 12.396 2.600 -2.228) 12.860 3.466 ( -9.852 -2.369 3.864) 10.845 3.694 ( 2.523 -1.697 -0.880) 3.165 4.116 ( 7.443 14.430 4.595) 16.874 4.363 ( 1.297 -2.792 5.433) 6.244 4.731 ( 6.373 8.884 -3.670) 11.533 4.821 ( 9.411 -10.925 5.988) 15.613 5.025 ( -5.151 -4.772 -2.304) 7.390 5.570 ( -17.576 -1.484 -10.549) 20.552 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 4.938 9.926 -1.509) 11.189 2.094 ( 6.391 14.736 3.391) 16.416 2.659 ( 4.663 10.049 -3.263) 11.549 3.054 ( 11.570 7.547 -2.855) 14.106 3.306 ( -6.494 -3.173 4.847) 8.703 3.703 ( 2.094 -5.544 -1.651) 6.152 4.305 ( 2.812 -2.471 -1.463) 4.019 4.417 ( 4.293 8.119 4.954) 10.435 4.755 ( -1.535 -7.221 3.210) 8.050 4.949 ( 1.982 5.878 -0.595) 6.231 4.985 ( 7.129 -2.790 0.815) 7.699 5.232 ( -16.881 1.255 -8.649) 19.009 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 4.230 8.437 -0.803) 9.472 2.296 ( -0.912 14.755 3.144) 15.114 2.791 ( 3.598 4.547 -4.276) 7.204 3.220 ( -2.917 3.514 5.493) 7.143 3.346 ( 10.554 8.783 -3.939) 14.284 3.626 ( -2.385 -6.636 -1.812) 7.280 4.268 ( 0.233 -5.622 -6.954) 8.945 4.558 ( 1.172 4.917 2.533) 5.654 4.655 ( -1.708 -5.813 5.275) 8.033 4.967 ( -9.139 4.771 -1.778) 10.461 5.061 ( 3.739 6.585 -1.431) 7.706 5.119 ( 6.388 -6.280 2.237) 9.233 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.842 5.524 -0.583) 5.618 2.382 ( -4.793 12.285 2.928) 13.508 2.835 ( 0.009 1.799 -6.694) 6.932 3.247 ( -3.370 7.969 3.871) 9.479 3.354 ( -9.277 -0.884 -3.204) 9.854 3.732 ( 12.328 9.253 -4.069) 15.943 4.154 ( -4.380 -4.949 -7.946) 10.336 4.596 ( 0.491 -1.365 4.301) 4.538 4.631 ( 0.255 -1.171 5.949) 6.069 4.924 ( 0.422 1.533 1.701) 2.328 5.129 ( 1.995 -3.378 -2.158) 4.478 5.203 ( 6.145 -0.056 3.029) 6.852 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -2.518 2.931 -0.703) 3.927 2.417 ( -5.515 11.366 3.321) 13.063 2.770 ( -4.911 -2.268 -6.399) 8.379 3.168 ( -8.802 4.203 2.207) 10.000 3.332 ( -1.101 9.362 -3.103) 9.924 3.987 ( 0.084 3.679 -10.235) 10.876 4.008 ( 1.900 3.839 -1.648) 4.589 4.538 ( -3.805 -4.246 6.575) 8.703 4.694 ( 0.016 3.883 4.188) 5.711 4.992 ( 9.403 -7.840 5.216) 13.307 5.095 ( -0.376 -2.555 -4.484) 5.175 5.292 ( 4.443 -2.111 1.896) 5.272 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.000 7.473 -5.882) 9.510 1.545 ( 0.000 6.732 -4.429) 8.059 2.471 ( 0.000 14.790 -8.560) 17.089 2.526 ( -0.000 4.875 7.747) 9.154 3.552 ( 0.000 0.226 -6.125) 6.129 3.850 ( -0.000 4.389 11.456) 12.268 4.052 ( -0.000 11.116 8.521) 14.006 4.249 ( -0.000 6.853 3.497) 7.694 4.445 ( -0.000 -8.831 5.997) 10.674 4.747 ( 0.000 1.400 -5.452) 5.629 5.117 ( 0.000 -6.556 -3.510) 7.437 5.892 ( 0.000 -4.319 -10.876) 11.702 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.330 7.553 -5.341) 9.257 1.695 ( 11.362 6.692 -3.665) 13.686 2.578 ( 0.854 10.471 -5.963) 12.080 2.677 ( 8.334 5.862 6.883) 12.297 3.521 ( -2.607 -0.965 -5.118) 5.824 3.793 ( -9.060 -3.742 11.272) 14.938 4.162 ( 2.428 8.712 2.771) 9.459 4.361 ( 0.484 1.854 8.298) 8.516 4.506 ( 14.094 -5.694 5.494) 16.163 4.766 ( 0.387 4.878 -4.162) 6.424 5.057 ( -2.302 0.797 -4.938) 5.506 5.737 ( -9.102 -3.268 -11.973) 15.391 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 4.215 8.413 -2.261) 9.678 2.004 ( 16.526 8.035 -1.247) 18.418 2.657 ( 2.724 3.594 -3.184) 5.520 2.949 ( 11.400 10.093 6.050) 16.384 3.392 ( -6.919 -4.493 -0.796) 8.288 3.676 ( -3.239 -3.221 3.281) 5.624 4.224 ( 2.190 -5.560 2.769) 6.586 4.473 ( 2.147 10.644 3.785) 11.499 4.676 ( 7.475 -4.385 7.736) 11.616 4.824 ( 3.950 1.556 -2.816) 5.095 5.031 ( -2.194 6.145 -5.369) 8.450 5.475 ( -14.191 -1.210 -10.690) 17.808 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 5.208 7.578 -0.481) 9.208 2.336 ( 11.601 8.489 -0.460) 14.383 2.734 ( 4.688 0.599 0.793) 4.792 3.257 ( 6.972 7.166 4.792) 11.087 3.286 ( 2.641 3.411 -0.134) 4.316 3.605 ( -2.315 -4.283 -0.446) 4.889 4.188 ( 0.281 -6.355 0.991) 6.438 4.590 ( 1.491 4.815 -0.541) 5.070 4.689 ( -4.522 0.014 2.589) 5.211 4.923 ( 8.927 -2.993 0.499) 9.428 5.074 ( 0.340 6.125 -2.017) 6.458 5.209 ( -12.837 1.357 -6.083) 14.270 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 3.010 4.983 0.019) 5.822 2.517 ( 2.214 6.463 0.430) 6.845 2.799 ( 1.724 -0.852 0.045) 1.924 3.358 ( 4.792 9.289 0.851) 10.487 3.455 ( -2.775 -5.124 0.578) 5.856 3.608 ( 8.552 11.294 -0.504) 14.176 4.121 ( -1.267 -5.785 -2.010) 6.254 4.603 ( -1.740 -1.613 0.970) 2.563 4.629 ( -1.723 1.521 -0.512) 2.355 4.989 ( -2.892 -5.205 0.035) 5.954 5.046 ( 1.427 1.490 0.626) 2.156 5.165 ( 1.444 4.666 -0.852) 4.958 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -0.556 2.268 -0.153) 2.340 2.584 ( -1.751 7.335 1.679) 7.726 2.773 ( -1.229 -4.502 -1.675) 4.958 3.315 ( -6.766 -2.413 1.690) 7.380 3.522 ( -2.767 17.563 -0.708) 17.794 3.900 ( 12.555 8.633 -5.877) 16.331 4.019 ( -3.222 -4.154 -2.110) 5.664 4.564 ( -2.629 -2.869 2.813) 4.801 4.644 ( 5.503 -2.784 4.094) 7.402 4.888 ( -2.452 -4.794 0.203) 5.389 5.077 ( 0.338 0.536 -1.795) 1.903 5.229 ( 2.591 0.357 0.995) 2.798 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 0.000 6.443 -6.516) 9.163 1.622 ( 0.000 4.646 -4.209) 6.269 2.641 ( 0.000 6.305 -2.497) 6.782 2.674 ( -0.000 4.737 6.705) 8.210 3.547 ( 0.000 2.523 -3.981) 4.713 3.827 ( -0.000 -15.837 12.659) 20.274 4.167 ( -0.000 -5.218 4.037) 6.598 4.383 ( -0.000 5.287 1.087) 5.397 4.452 ( -0.000 12.140 8.425) 14.777 4.801 ( 0.000 4.436 -2.263) 4.980 5.084 ( 0.000 4.543 -6.513) 7.941 5.738 ( 0.000 -3.544 -12.735) 13.219 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 2.690 6.826 -2.682) 7.812 1.778 ( 13.829 4.627 -3.017) 14.891 2.646 ( -0.561 0.135 1.197) 1.329 2.854 ( 10.982 5.122 5.233) 13.200 3.485 ( -7.834 -2.001 0.097) 8.086 3.687 ( -1.364 -8.805 5.016) 10.225 4.149 ( 1.589 -5.419 5.679) 8.009 4.488 ( 5.528 2.367 0.288) 6.021 4.628 ( 2.707 13.048 5.824) 14.543 4.821 ( -0.929 1.228 -0.555) 1.637 5.107 ( -1.337 7.280 -6.994) 10.184 5.603 ( -7.387 -2.487 -11.659) 14.024 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 5.112 5.983 -0.074) 7.870 2.110 ( 19.274 4.527 -2.477) 19.953 2.665 ( 3.584 -1.891 5.147) 6.551 3.131 ( 14.780 1.830 3.784) 15.366 3.322 ( -6.756 -2.918 2.187) 7.678 3.638 ( -2.036 1.545 0.372) 2.582 4.134 ( 0.769 -6.013 5.854) 8.427 4.588 ( 3.580 2.505 -1.434) 4.598 4.770 ( 0.137 -3.424 -5.552) 6.524 4.816 ( 0.604 10.069 6.456) 11.976 5.137 ( -1.328 6.619 -4.611) 8.175 5.393 ( -10.987 -0.767 -7.977) 13.599 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 4.694 3.335 0.512) 5.781 2.414 ( 12.832 2.049 -3.626) 13.491 2.768 ( 4.891 -0.050 7.224) 8.724 3.273 ( 4.921 1.219 -0.724) 5.121 3.330 ( 8.349 -8.024 1.219) 11.644 3.695 ( 1.244 13.571 3.452) 14.058 4.092 ( -0.939 -6.041 4.823) 7.787 4.630 ( -1.646 1.681 -2.865) 3.707 4.687 ( -2.121 -0.945 -5.480) 5.952 4.928 ( 1.445 3.132 0.812) 3.543 5.117 ( -4.908 -1.021 0.180) 5.016 5.235 ( -4.851 4.398 -3.507) 7.428 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -0.000 6.041 -0.519) 6.063 1.688 ( 0.000 4.189 -1.151) 4.344 2.672 ( -0.000 -3.952 5.661) 6.904 2.769 ( -0.000 1.631 2.633) 3.097 3.573 ( -0.000 -12.126 6.395) 13.709 3.595 ( 0.000 3.880 -0.813) 3.964 4.106 ( -0.000 -5.112 6.325) 8.133 4.462 ( 0.000 2.885 -1.536) 3.268 4.734 ( 0.000 7.776 -1.996) 8.029 4.863 ( -0.000 5.300 5.726) 7.803 5.169 ( 0.000 7.729 -7.221) 10.577 5.604 ( 0.000 -1.947 -11.151) 11.319 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 2.782 4.632 1.673) 5.656 1.854 ( 13.833 4.245 0.389) 14.475 2.625 ( -0.012 -4.198 8.324) 9.322 2.900 ( 11.649 -2.403 1.471) 11.985 3.424 ( -7.172 -3.744 3.580) 8.847 3.667 ( 2.125 3.703 1.408) 4.496 4.081 ( 0.790 -5.731 5.768) 8.169 4.517 ( 4.565 1.062 -2.469) 5.297 4.734 ( -0.906 -1.821 -7.047) 7.334 4.959 ( -1.354 10.164 7.337) 12.609 5.207 ( -1.295 6.314 -5.812) 8.679 5.506 ( -6.198 -0.145 -8.847) 10.803 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 4.249 1.749 1.580) 4.859 2.163 ( 16.830 2.582 -1.491) 17.092 2.685 ( 6.030 -1.237 11.959) 13.450 3.060 ( 12.037 -6.917 -2.669) 14.137 3.304 ( -4.964 -0.369 2.732) 5.678 3.779 ( 3.703 9.124 4.016) 10.634 4.052 ( 0.372 -6.224 5.220) 8.132 4.602 ( 5.691 -1.448 -4.010) 7.111 4.654 ( -2.015 -2.455 -6.677) 7.394 5.032 ( -2.954 8.072 3.116) 9.143 5.191 ( -4.471 1.354 -3.229) 5.679 5.366 ( -7.833 2.823 -4.936) 9.679 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.000 4.216 4.900) 6.464 1.774 ( -0.000 4.189 2.411) 4.834 2.622 ( -0.000 -4.736 12.415) 13.287 2.765 ( 0.000 -2.361 -1.667) 2.890 3.477 ( -0.000 -2.270 4.114) 4.699 3.678 ( -0.000 3.853 2.377) 4.527 4.037 ( -0.000 -5.189 3.604) 6.318 4.471 ( 0.000 -0.123 -3.977) 3.979 4.690 ( 0.000 -4.284 -7.803) 8.902 5.083 ( -0.000 7.223 7.574) 10.465 5.257 ( 0.000 5.050 -5.701) 7.616 5.543 ( 0.000 2.813 -8.370) 8.830 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.342 1.908 3.990) 4.435 1.944 ( 12.113 3.658 2.818) 12.963 2.650 ( 2.341 -0.003 14.063) 14.257 2.807 ( 8.564 -5.830 -3.241) 10.855 3.414 ( -6.193 0.137 3.666) 7.198 3.779 ( 5.365 4.812 4.527) 8.511 4.002 ( 0.438 -4.553 1.842) 4.931 4.483 ( 3.809 -2.348 -5.103) 6.787 4.610 ( -0.058 -5.644 -7.308) 9.234 5.139 ( -1.565 2.439 6.627) 7.233 5.261 ( -2.345 3.286 -5.486) 6.811 5.511 ( -5.895 5.987 -6.467) 10.603 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -0.000 2.710 5.020) 5.705 1.873 ( -0.000 3.219 4.786) 5.768 2.665 ( 0.000 -5.607 -4.226) 7.021 2.688 ( -0.000 1.740 15.027) 15.127 3.503 ( -0.000 1.803 5.164) 5.470 3.768 ( -0.000 2.968 4.825) 5.665 3.964 ( 0.000 -2.659 -1.147) 2.896 4.407 ( 0.000 -3.216 -5.867) 6.691 4.511 ( 0.000 -9.247 -6.649) 11.389 5.176 ( -0.000 -1.677 6.540) 6.751 5.290 ( 0.000 1.954 -5.276) 5.627 5.615 ( 0.000 8.668 -6.822) 11.031 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -0.000 0.000 16.347) 16.347 0.753 ( -0.000 0.000 16.347) 16.347 1.230 ( -0.000 0.000 26.513) 26.513 2.633 ( 0.000 -0.000 -6.771) 6.771 2.633 ( 0.000 -0.000 -6.771) 6.771 3.584 ( -0.000 0.000 5.857) 5.857 3.584 ( -0.000 0.000 5.857) 5.857 3.930 ( 0.000 -0.000 -2.899) 2.899 3.930 ( 0.000 -0.000 -2.899) 2.899 4.705 ( 0.000 -0.000 -13.626) 13.626 6.177 ( -0.000 0.000 8.629) 8.629 6.538 ( 0.000 -0.000 -1.280) 1.280 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 4.456 2.573 13.407) 14.360 0.881 ( 0.730 0.421 19.466) 19.485 1.360 ( 7.639 4.410 10.837) 13.973 2.692 ( 10.201 5.889 -1.052) 11.826 2.700 ( 3.484 2.011 -6.840) 7.935 3.503 ( -3.568 -2.060 4.056) 5.781 3.794 ( 11.417 6.592 6.827) 14.846 4.026 ( 4.550 2.627 -1.491) 5.462 4.038 ( 11.904 6.873 -9.816) 16.891 4.695 ( 2.886 1.666 -13.175) 13.590 6.106 ( -8.348 -4.820 8.079) 12.577 6.342 ( -15.392 -8.886 1.964) 17.881 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -1.816 -1.048 15.458) 15.600 1.011 ( 7.633 4.407 8.763) 12.429 1.646 ( 15.224 8.790 -2.716) 17.788 2.744 ( 2.313 1.335 -5.879) 6.457 3.026 ( 17.555 10.135 7.319) 21.551 3.453 ( -1.543 -0.891 1.193) 2.144 4.092 ( 12.121 6.998 4.261) 14.630 4.120 ( 4.082 2.357 -0.338) 4.725 4.276 ( 11.493 6.635 -9.669) 16.419 4.754 ( 6.018 3.474 -11.231) 13.206 5.870 ( -15.482 -8.939 6.595) 19.055 5.942 ( -19.052 -10.999 2.700) 22.164 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 5.213 3.010 5.294) 8.016 1.216 ( 8.429 4.867 4.623) 10.775 1.984 ( 15.512 8.956 -2.975) 18.157 2.769 ( 1.335 0.771 -4.021) 4.306 3.443 ( 0.745 0.430 -1.782) 1.979 3.479 ( 19.449 11.229 10.394) 24.747 4.205 ( 3.487 2.013 0.755) 4.096 4.319 ( 8.037 4.640 -2.424) 9.591 4.491 ( 9.689 5.594 -5.578) 12.501 4.886 ( 7.690 4.440 -7.909) 11.891 5.401 ( -24.515 -14.154 1.376) 28.341 5.605 ( -14.229 -8.215 6.027) 17.501 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 9.939 5.738 -1.014) 11.521 1.409 ( 7.860 4.538 1.352) 9.176 2.315 ( 14.397 8.312 -0.391) 16.629 2.781 ( 0.653 0.377 -1.829) 1.979 3.474 ( 2.812 1.623 -3.754) 4.963 3.929 ( 17.275 9.974 8.871) 21.831 4.282 ( 2.969 1.714 1.977) 3.957 4.456 ( 5.161 2.980 -3.290) 6.808 4.672 ( 7.302 4.216 -5.886) 10.283 4.804 ( -21.598 -12.470 -8.987) 26.509 5.005 ( -2.720 -1.570 -0.423) 3.169 5.370 ( -6.729 -3.885 9.929) 12.607 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 10.372 5.988 -4.073) 12.650 1.573 ( 6.690 3.863 -1.060) 7.797 2.611 ( 11.528 6.656 -0.295) 13.315 2.786 ( -0.037 -0.022 0.266) 0.270 3.541 ( 4.173 2.409 -4.385) 6.515 4.199 ( -23.775 -13.727 -7.352) 28.421 4.257 ( 8.017 4.629 1.544) 9.385 4.350 ( 2.334 1.348 3.272) 4.240 4.569 ( 5.742 3.315 -5.761) 8.784 4.854 ( -4.209 -2.430 8.308) 9.625 4.891 ( 6.547 3.780 -5.507) 9.353 5.372 ( 1.468 0.848 7.857) 8.038 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 7.959 4.595 -5.463) 10.691 1.703 ( 5.526 3.190 -2.709) 6.932 2.777 ( -1.191 -0.688 2.050) 2.469 2.790 ( 4.236 2.446 -6.148) 7.857 3.627 ( 4.530 2.616 -4.242) 6.735 3.716 ( -15.051 -8.690 -7.663) 18.994 4.249 ( -5.846 -3.375 -7.469) 10.067 4.403 ( 1.190 0.687 4.429) 4.637 4.655 ( -0.711 -0.410 5.164) 5.229 4.875 ( 7.922 4.574 8.591) 12.549 5.096 ( 9.076 5.240 -2.895) 10.872 5.418 ( 0.459 0.265 6.523) 6.545 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 4.058 2.343 -5.875) 7.514 1.804 ( 4.436 2.561 -3.883) 6.428 2.741 ( -2.971 -1.715 3.408) 4.836 2.755 ( -2.369 -1.368 -14.896) 15.145 3.518 ( -2.242 -1.294 -4.301) 5.020 3.709 ( 3.886 2.244 -4.202) 6.147 4.071 ( -6.796 -3.924 -3.185) 8.469 4.427 ( -0.611 -0.353 5.301) 5.347 4.619 ( -3.920 -2.263 6.712) 8.096 5.107 ( 8.470 4.890 4.328) 10.695 5.232 ( 3.235 1.868 -2.682) 4.598 5.465 ( 3.007 1.736 7.602) 8.358 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.000 5.842 16.129) 17.154 0.958 ( -0.000 8.502 11.888) 14.615 1.413 ( -0.000 7.196 11.931) 13.933 2.502 ( 0.000 -4.246 -4.403) 6.117 2.843 ( 0.000 18.922 -4.158) 19.374 3.580 ( -0.000 1.300 5.904) 6.045 3.734 ( -0.000 3.362 3.053) 4.542 3.820 ( 0.000 -1.517 -1.439) 2.091 4.155 ( 0.000 14.409 -5.197) 15.318 4.659 ( 0.000 4.032 -12.523) 13.156 6.124 ( -0.000 -10.976 7.686) 13.399 6.387 ( 0.000 -11.401 0.138) 11.402 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -2.305 1.934 14.626) 14.932 1.080 ( -0.219 10.520 10.366) 14.771 1.570 ( 5.303 14.901 -2.019) 15.945 2.576 ( 11.482 -2.871 -2.656) 12.130 3.046 ( 2.640 20.727 0.910) 20.914 3.534 ( -6.444 2.326 4.695) 8.306 3.829 ( 12.158 -5.920 -5.251) 14.506 4.017 ( 13.150 7.059 6.250) 16.181 4.272 ( 1.352 10.996 -5.579) 12.405 4.690 ( 2.715 5.518 -10.625) 12.276 5.957 ( -6.725 -15.297 6.549) 17.947 6.149 ( -14.328 -10.341 0.191) 17.671 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -1.870 3.737 8.420) 9.400 1.247 ( 2.273 13.464 6.404) 15.082 1.849 ( 11.315 13.999 -4.129) 18.468 2.721 ( 6.692 1.828 -5.286) 8.722 3.334 ( 7.136 11.196 7.936) 15.467 3.504 ( 0.334 7.335 2.479) 7.750 3.966 ( 13.635 -7.990 -5.932) 16.880 4.294 ( 7.125 6.409 4.423) 10.555 4.399 ( 6.104 8.432 -5.530) 11.787 4.793 ( 6.195 5.956 -6.991) 11.079 5.653 ( -14.611 -15.692 4.941) 22.003 5.764 ( -17.707 -9.345 0.322) 20.025 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 4.363 7.447 2.576) 9.008 1.439 ( 2.047 14.666 3.632) 15.247 2.174 ( 13.181 11.652 -1.117) 17.628 2.802 ( 1.017 5.586 -5.274) 7.750 3.408 ( 1.825 -2.054 1.544) 3.152 3.815 ( 13.733 14.490 7.520) 21.334 4.078 ( 11.334 -9.247 -5.113) 15.495 4.418 ( 2.939 3.423 -0.028) 4.512 4.583 ( 7.468 7.130 -4.577) 11.294 4.928 ( 3.222 4.344 -6.873) 8.746 5.197 ( -24.234 -7.152 0.125) 25.268 5.445 ( -8.443 -12.709 7.940) 17.201 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 7.479 8.410 -0.642) 11.273 1.615 ( 0.555 15.084 1.252) 15.146 2.489 ( 11.582 9.006 0.342) 14.675 2.844 ( -1.607 7.527 -2.471) 8.084 3.443 ( 5.203 -2.653 -1.523) 6.036 4.086 ( 4.778 -15.844 -3.610) 16.938 4.181 ( 9.594 10.287 2.613) 14.307 4.469 ( 1.590 -1.152 -0.754) 2.104 4.697 ( -18.439 7.582 -7.450) 21.284 4.779 ( 6.138 6.544 -4.164) 9.891 4.942 ( -6.106 -4.908 1.465) 7.970 5.343 ( 2.844 -6.225 11.564) 13.438 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 6.872 7.180 -2.380) 10.220 1.757 ( -0.939 14.755 -0.690) 14.801 2.692 ( 4.980 2.898 -3.311) 6.645 2.896 ( -2.361 10.369 1.236) 10.706 3.513 ( 6.394 -3.176 -3.786) 8.081 3.821 ( -11.141 -13.796 -6.860) 19.013 4.285 ( -3.126 0.294 -7.512) 8.142 4.468 ( -2.580 5.027 2.088) 6.024 4.651 ( 2.429 5.377 0.730) 5.945 4.833 ( 1.126 -2.642 5.496) 6.201 4.991 ( 8.872 6.104 0.427) 10.777 5.391 ( 3.456 -4.218 8.437) 10.046 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 3.905 4.344 -3.313) 6.715 1.866 ( -1.956 13.786 -2.111) 14.083 2.709 ( -0.941 -0.169 -8.620) 8.673 2.906 ( -8.539 7.648 -0.078) 11.464 3.466 ( -0.583 -8.957 -5.229) 10.388 3.688 ( 2.548 3.962 -2.985) 5.577 4.142 ( -7.174 -2.762 -6.687) 10.189 4.487 ( -2.295 4.401 3.710) 6.197 4.667 ( -1.952 -2.391 6.864) 7.526 4.992 ( 10.820 3.423 1.907) 11.508 5.171 ( 6.038 3.008 0.334) 6.754 5.426 ( 3.298 -4.116 7.573) 9.229 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.000 2.937 11.056) 11.440 1.198 ( -0.000 10.018 4.695) 11.064 1.714 ( 0.000 20.444 -4.191) 20.870 2.433 ( -0.000 -1.258 1.036) 1.630 3.238 ( -0.000 21.733 -1.112) 21.762 3.654 ( 0.000 -4.186 -5.885) 7.222 3.698 ( -0.000 5.635 9.282) 10.858 3.952 ( -0.000 7.304 5.830) 9.345 4.339 ( 0.000 8.019 -3.612) 8.795 4.692 ( 0.000 5.636 -8.401) 10.116 5.854 ( -0.000 -20.533 4.888) 21.107 6.169 ( 0.000 -9.802 -2.841) 10.205 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -3.247 4.047 4.738) 7.026 1.344 ( 4.017 11.062 3.209) 12.198 1.897 ( 1.025 20.426 -5.879) 21.280 2.552 ( 11.085 0.993 0.441) 11.138 3.459 ( 1.811 19.201 1.898) 19.379 3.643 ( -8.136 3.563 6.928) 11.265 3.686 ( 7.249 -2.385 -4.858) 9.046 4.200 ( 12.312 6.944 6.120) 15.403 4.409 ( 1.349 6.947 -2.948) 7.666 4.747 ( 3.307 4.670 -4.877) 7.518 5.617 ( -4.249 -22.327 3.858) 23.053 5.959 ( -12.551 -7.765 -5.245) 15.663 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.243 7.365 1.178) 7.463 1.559 ( 5.013 14.217 3.582) 15.495 2.128 ( 6.569 17.115 -3.443) 18.653 2.745 ( 9.078 3.410 -4.099) 10.529 3.485 ( -9.026 2.334 6.480) 11.354 3.730 ( 9.246 0.645 -1.681) 9.419 3.850 ( 9.926 9.851 0.603) 13.997 4.397 ( 3.474 1.472 3.829) 5.376 4.536 ( 5.820 9.094 -3.944) 11.495 4.866 ( 6.579 3.608 -1.298) 7.615 5.335 ( -5.632 -20.000 5.706) 21.547 5.596 ( -19.457 -5.498 -7.244) 21.477 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 4.642 9.601 0.198) 10.666 1.786 ( 1.759 17.592 3.205) 17.968 2.411 ( 9.588 12.980 -0.811) 16.158 2.896 ( 4.932 7.441 -5.885) 10.692 3.388 ( -3.742 -2.654 5.243) 6.967 3.827 ( 8.465 -8.794 -5.269) 13.295 4.150 ( 8.951 13.159 3.200) 16.233 4.429 ( 0.797 -2.238 1.405) 2.761 4.706 ( 6.039 7.964 -4.013) 10.770 4.943 ( -2.242 -0.122 -2.812) 3.598 5.101 ( -13.142 -3.630 -0.257) 13.637 5.248 ( -3.880 -10.190 4.344) 11.737 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 5.483 9.586 -0.387) 11.050 1.968 ( -2.330 18.981 2.175) 19.246 2.647 ( 5.661 7.507 -1.851) 9.583 3.035 ( 1.292 13.014 -1.725) 13.191 3.358 ( 4.033 -5.698 0.591) 7.006 3.779 ( -1.453 -10.746 -5.155) 12.007 4.307 ( -1.120 0.619 -5.321) 5.473 4.474 ( 5.492 3.607 2.812) 7.147 4.794 ( -2.149 -3.379 1.660) 4.335 4.829 ( -11.425 6.630 -7.086) 14.990 4.936 ( 4.626 4.983 3.100) 7.473 5.271 ( 7.018 -7.889 8.774) 13.728 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 3.215 7.659 -0.950) 8.361 2.090 ( -5.059 18.016 1.572) 18.779 2.723 ( -0.927 4.184 -6.802) 8.039 3.134 ( -5.603 10.910 3.174) 12.669 3.366 ( 0.849 -5.896 -6.770) 9.017 3.651 ( 2.000 -1.696 -2.214) 3.432 4.202 ( -5.560 -2.797 -8.298) 10.373 4.568 ( 0.537 3.735 2.661) 4.617 4.714 ( -4.330 -2.241 6.277) 7.948 4.856 ( 7.475 4.014 -1.274) 8.580 5.102 ( 6.214 3.982 1.880) 7.616 5.321 ( 5.071 -7.678 6.695) 11.379 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 4.531 -0.791) 4.599 1.386 ( 0.000 8.305 -2.135) 8.576 2.087 ( 0.000 20.912 -8.301) 22.499 2.474 ( -0.000 2.758 6.888) 7.420 3.551 ( 0.000 -2.218 -6.005) 6.402 3.630 ( -0.000 18.038 2.148) 18.165 3.908 ( -0.000 8.299 12.443) 14.957 4.126 ( -0.000 7.061 4.484) 8.364 4.452 ( -0.000 5.485 -0.507) 5.509 4.739 ( 0.000 1.918 -2.661) 3.280 5.430 ( 0.000 -23.364 0.744) 23.376 5.968 ( 0.000 -7.345 -8.643) 11.343 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -0.968 6.349 -3.547) 7.337 1.537 ( 9.029 8.534 -1.983) 12.581 2.251 ( 0.330 19.144 -5.801) 20.007 2.613 ( 8.336 3.461 4.675) 10.165 3.533 ( 1.813 -2.381 -6.137) 6.828 3.808 ( -8.906 5.109 10.902) 14.975 3.885 ( 0.792 17.174 3.021) 17.456 4.346 ( 7.613 3.850 5.266) 10.025 4.531 ( 3.953 6.815 0.186) 7.880 4.772 ( 4.961 -2.314 0.725) 5.521 5.202 ( -2.029 -18.603 -0.520) 18.721 5.777 ( -10.774 -5.482 -11.160) 16.452 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 3.138 8.887 -2.007) 9.636 1.818 ( 12.305 10.965 0.252) 16.483 2.440 ( 3.403 15.870 -3.659) 16.638 2.813 ( 8.963 5.356 1.793) 10.594 3.476 ( -3.942 -4.688 -1.926) 6.421 3.712 ( -4.270 1.226 4.474) 6.305 4.152 ( 7.299 13.464 2.700) 15.551 4.410 ( -0.028 -1.909 3.991) 4.424 4.695 ( 4.021 8.959 -3.004) 10.269 4.881 ( 11.010 -5.653 5.567) 13.571 5.018 ( -2.508 -11.116 1.329) 11.472 5.460 ( -16.987 -1.988 -12.142) 20.975 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 5.347 9.780 -0.502) 11.158 2.118 ( 7.355 14.141 1.377) 15.999 2.633 ( 5.136 9.481 -1.582) 10.898 3.037 ( 8.692 10.658 -0.863) 13.780 3.341 ( -4.793 -4.812 2.124) 7.116 3.689 ( 0.292 -3.569 -0.915) 3.696 4.296 ( -0.045 -2.731 -0.463) 2.770 4.451 ( 3.954 7.307 1.877) 8.517 4.770 ( -0.827 -2.894 0.367) 3.033 4.939 ( 0.829 4.383 -0.874) 4.545 5.021 ( 6.297 -6.043 4.650) 9.889 5.156 ( -11.163 0.795 -6.186) 12.787 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 4.148 8.558 -0.143) 9.511 2.323 ( -0.345 14.557 2.225) 14.730 2.753 ( 1.331 4.939 -3.119) 5.991 3.265 ( -1.591 0.718 3.371) 3.796 3.306 ( 7.851 12.433 -4.447) 15.362 3.610 ( -2.889 -5.609 -1.375) 6.457 4.213 ( -2.913 -4.611 -4.208) 6.888 4.579 ( 2.051 3.901 1.677) 4.715 4.691 ( 0.688 -5.922 2.058) 6.307 4.941 ( -8.221 6.421 -2.931) 10.835 5.059 ( 4.573 5.209 0.928) 6.993 5.155 ( 7.369 -8.147 4.948) 12.048 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 6.229 -6.822) 9.238 1.502 ( 0.000 6.269 -4.524) 7.731 2.399 ( 0.000 16.005 -6.282) 17.194 2.605 ( -0.000 4.715 8.485) 9.707 3.500 ( 0.000 0.611 -4.641) 4.681 3.949 ( -0.000 9.807 8.513) 12.987 4.144 ( -0.000 7.437 10.818) 13.128 4.276 ( -0.000 6.096 2.263) 6.502 4.509 ( -0.000 -6.645 6.951) 9.616 4.701 ( 0.000 -0.086 -3.671) 3.672 5.081 ( 0.000 -8.018 -3.976) 8.950 5.774 ( 0.000 -5.131 -13.555) 14.493 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 1.953 7.894 -4.392) 9.242 1.661 ( 12.599 6.419 -3.396) 14.542 2.529 ( 0.982 11.956 -3.998) 12.645 2.745 ( 7.482 6.026 6.954) 11.860 3.476 ( -2.641 0.199 -4.156) 4.929 3.907 ( -11.945 -4.625 12.226) 17.707 4.185 ( 2.385 8.638 1.905) 9.162 4.428 ( -0.107 2.764 5.143) 5.839 4.562 ( 15.603 -7.860 6.213) 18.543 4.739 ( 0.795 6.429 -1.241) 6.596 5.009 ( -2.013 -1.000 -4.893) 5.384 5.611 ( -8.652 -3.048 -14.090) 16.813 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 5.088 8.964 -1.114) 10.367 1.988 ( 17.777 7.374 -1.948) 19.344 2.639 ( 2.950 6.239 -0.402) 6.913 3.002 ( 10.587 10.339 4.759) 15.544 3.375 ( -6.018 -2.755 -2.362) 7.028 3.723 ( -6.297 -5.366 5.938) 10.184 4.259 ( 1.297 -3.865 4.458) 6.041 4.490 ( 1.190 7.956 -0.222) 8.047 4.752 ( 6.986 -3.661 8.032) 11.257 4.806 ( 4.378 -0.632 -1.027) 4.541 4.979 ( -0.659 5.821 -5.268) 7.878 5.369 ( -12.566 0.213 -11.017) 16.713 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.000 7.991 -3.526) 8.734 1.589 ( 0.000 5.437 -2.677) 6.060 2.622 ( 0.000 9.294 -1.411) 9.401 2.733 ( -0.000 3.268 5.378) 6.293 3.518 ( 0.000 3.328 -1.809) 3.788 3.959 ( -0.000 -19.872 14.464) 24.578 4.209 ( -0.000 -3.133 4.572) 5.542 4.386 ( -0.000 4.454 -0.404) 4.473 4.511 ( -0.000 11.326 3.754) 11.932 4.800 ( -0.000 5.978 2.151) 6.353 5.016 ( 0.000 3.021 -7.722) 8.292 5.607 ( 0.000 -2.575 -14.166) 14.398 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 3.202 8.303 -0.234) 8.903 1.758 ( 13.749 5.490 -1.121) 14.847 2.664 ( -0.616 3.025 2.497) 3.970 2.891 ( 11.086 4.367 2.306) 12.136 3.489 ( -6.841 1.510 1.164) 7.102 3.750 ( -3.999 -13.981 7.535) 16.378 4.212 ( 1.484 -4.401 7.288) 8.642 4.484 ( 5.613 1.264 -1.096) 5.858 4.655 ( 3.244 9.309 0.394) 9.866 4.837 ( -1.966 2.136 2.731) 3.985 5.036 ( -0.438 8.067 -7.375) 10.939 5.489 ( -6.475 -0.936 -11.499) 13.230 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.000 8.022 3.007) 8.567 1.686 ( -0.000 5.335 0.772) 5.390 2.730 ( -0.000 0.224 6.262) 6.266 2.785 ( -0.000 0.007 0.491) 0.491 3.599 ( -0.000 4.721 1.588) 4.981 3.641 ( -0.000 -15.047 7.678) 16.892 4.174 ( -0.000 -5.938 7.692) 9.718 4.439 ( 0.000 2.119 -3.075) 3.735 4.699 ( 0.000 2.715 -4.294) 5.080 4.913 ( -0.000 8.232 2.086) 8.492 5.103 ( 0.000 9.052 -5.154) 10.417 5.500 ( 0.000 -0.496 -10.151) 10.163 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.000 0.000 13.087) 13.087 0.895 ( -0.000 0.000 13.087) 13.087 1.460 ( -0.000 0.000 21.117) 21.117 2.570 ( 0.000 -0.000 -6.177) 6.177 2.570 ( 0.000 -0.000 -6.177) 6.177 3.640 ( -0.000 0.000 5.854) 5.854 3.640 ( -0.000 0.000 5.854) 5.854 3.899 ( 0.000 -0.000 -3.489) 3.489 3.899 ( 0.000 -0.000 -3.489) 3.489 4.580 ( 0.000 -0.000 -12.107) 12.107 6.258 ( -0.000 0.000 8.210) 8.210 6.521 ( 0.000 -0.000 -2.310) 2.310 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 3.217 1.857 11.192) 11.792 1.055 ( 4.282 2.472 16.237) 16.973 1.439 ( -1.885 -1.088 5.686) 6.088 2.630 ( 3.458 1.996 -7.510) 8.506 2.696 ( 13.932 8.044 1.755) 16.183 3.545 ( -4.520 -2.610 4.705) 7.027 3.848 ( 10.692 6.173 3.483) 12.828 3.962 ( 10.208 5.894 -5.215) 12.890 4.006 ( 5.167 2.983 -2.642) 6.526 4.577 ( 3.107 1.794 -10.956) 11.528 6.181 ( -8.692 -5.018 7.496) 12.527 6.349 ( -13.863 -8.004 -0.417) 16.014 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -5.824 -3.362 15.364) 16.772 1.093 ( 6.071 3.505 8.051) 10.675 1.612 ( 14.890 8.597 -3.955) 17.642 2.677 ( 2.962 1.710 -7.925) 8.631 3.100 ( 19.355 11.174 7.705) 23.640 3.473 ( -2.874 -1.659 2.877) 4.392 4.081 ( 10.030 5.791 -6.986) 13.526 4.110 ( 4.712 2.721 -1.786) 5.727 4.228 ( 12.252 7.074 0.371) 14.152 4.657 ( 6.991 4.036 -8.480) 11.708 5.922 ( -18.736 -10.817 3.572) 21.927 5.973 ( -15.950 -9.208 4.350) 18.924 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 1.646 0.950 7.828) 8.056 1.263 ( 6.975 4.027 5.115) 9.541 1.966 ( 16.463 9.505 -0.557) 19.018 2.714 ( 2.547 1.471 -7.133) 7.716 3.439 ( -0.591 -0.341 0.991) 1.203 3.568 ( 19.499 11.258 7.985) 23.890 4.205 ( 4.197 2.423 -0.764) 4.907 4.255 ( 8.115 4.685 -9.945) 13.664 4.459 ( 8.644 4.990 -1.627) 10.113 4.812 ( 7.203 4.159 -7.073) 10.918 5.414 ( -24.614 -14.211 1.355) 28.454 5.681 ( -13.019 -7.517 9.335) 17.696 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 7.530 4.347 2.995) 9.196 1.429 ( 6.590 3.805 2.732) 8.085 2.322 ( 14.723 8.501 1.834) 17.100 2.747 ( 2.110 1.218 -5.280) 5.815 3.455 ( 1.828 1.055 -0.404) 2.149 3.993 ( 15.817 9.132 4.129) 18.725 4.294 ( 3.749 2.165 0.510) 4.359 4.383 ( 6.039 3.487 -11.236) 13.224 4.625 ( 3.456 1.995 -4.575) 6.071 4.721 ( -14.648 -8.457 -6.984) 18.300 5.014 ( -6.168 -3.561 2.186) 7.450 5.492 ( -6.271 -3.620 14.533) 16.237 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 8.744 5.048 -0.434) 10.106 1.572 ( 5.621 3.245 0.841) 6.545 2.613 ( 10.077 5.818 0.614) 11.652 2.773 ( 1.370 0.791 -2.890) 3.294 3.514 ( 3.583 2.069 -1.133) 4.290 4.095 ( -20.975 -12.110 -13.380) 27.670 4.248 ( 1.162 0.671 -3.052) 3.334 4.375 ( 3.092 1.785 1.873) 4.031 4.534 ( 8.519 4.919 -2.030) 10.045 4.838 ( 6.844 3.951 -5.217) 9.470 4.937 ( -0.442 -0.255 8.544) 8.559 5.475 ( -0.727 -0.420 12.931) 12.958 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.000 6.613 7.687) 10.140 1.060 ( -0.000 7.483 13.580) 15.505 1.498 ( -0.000 -1.612 5.639) 5.865 2.472 ( 0.000 -2.640 -1.685) 3.132 2.807 ( 0.000 20.637 -3.284) 20.896 3.640 ( -0.000 2.091 6.532) 6.859 3.728 ( 0.000 -4.055 -3.432) 5.313 3.839 ( -0.000 5.308 4.552) 6.993 4.107 ( 0.000 14.103 -4.872) 14.921 4.550 ( 0.000 4.446 -9.834) 10.793 6.194 ( -0.000 -11.776 6.850) 13.623 6.378 ( 0.000 -10.875 -1.945) 11.047 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -1.336 3.287 8.974) 9.650 1.184 ( -0.695 2.907 11.551) 11.931 1.533 ( 3.863 13.289 -5.543) 14.908 2.551 ( 8.826 -1.155 -2.382) 9.214 3.060 ( 6.525 21.143 1.736) 22.195 3.585 ( -8.191 3.215 5.791) 10.534 3.771 ( 11.531 -6.596 -6.477) 14.780 4.077 ( 12.901 7.575 5.983) 16.113 4.223 ( 0.628 11.758 -4.755) 12.699 4.601 ( 3.140 6.734 -7.629) 10.649 6.016 ( -6.607 -16.185 5.634) 18.367 6.142 ( -13.268 -11.488 -1.519) 17.616 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -2.661 -0.002 7.098) 7.580 1.306 ( 1.666 12.204 5.571) 13.518 1.818 ( 12.920 13.830 -2.026) 19.034 2.664 ( 4.934 2.954 -6.274) 8.511 3.403 ( 7.532 10.552 6.267) 14.400 3.537 ( 0.172 8.497 4.068) 9.422 3.899 ( 14.001 -8.135 -7.976) 18.051 4.312 ( 2.009 8.920 -1.130) 9.213 4.367 ( 8.466 6.894 -0.764) 10.944 4.737 ( 6.337 7.617 -4.492) 10.879 5.682 ( -18.851 -13.858 0.811) 23.411 5.786 ( -11.163 -13.824 4.410) 18.307 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 3.430 5.163 4.417) 7.611 1.476 ( 1.126 14.103 3.872) 14.668 2.176 ( 14.458 11.355 1.481) 18.444 2.740 ( 1.817 5.955 -7.173) 9.499 3.434 ( -0.885 -0.906 3.735) 3.944 3.873 ( 13.922 14.035 4.268) 20.224 4.012 ( 12.294 -9.801 -8.621) 17.931 4.408 ( 1.394 6.121 -1.676) 6.498 4.550 ( 7.095 6.208 -2.537) 9.763 4.859 ( -1.048 5.283 -7.109) 8.919 5.196 ( -22.050 -8.787 -0.045) 23.736 5.545 ( -4.399 -13.301 11.938) 18.405 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 6.260 7.260 2.302) 9.859 1.632 ( -0.518 14.769 2.452) 14.980 2.501 ( 11.050 7.920 2.051) 13.749 2.805 ( 0.372 8.562 -5.414) 10.137 3.446 ( 3.122 -2.380 1.869) 4.348 4.017 ( 3.322 -15.104 -10.051) 18.445 4.195 ( 7.812 8.200 0.082) 11.326 4.459 ( 2.134 0.036 -1.658) 2.702 4.626 ( -17.474 9.196 -7.103) 20.985 4.745 ( 6.515 5.433 -2.489) 8.841 4.967 ( -2.537 -3.268 3.692) 5.545 5.472 ( 1.891 -8.055 14.489) 16.685 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -0.000 -2.511 8.041) 8.424 1.224 ( -0.000 7.778 0.519) 7.796 1.658 ( 0.000 18.883 -7.131) 20.185 2.461 ( -0.000 0.694 4.683) 4.734 3.228 ( -0.000 22.663 -1.176) 22.693 3.600 ( 0.000 -4.574 -5.489) 7.145 3.791 ( -0.000 7.399 10.005) 12.444 4.005 ( -0.000 7.028 5.206) 8.746 4.306 ( 0.000 9.136 -3.211) 9.684 4.624 ( 0.000 7.590 -5.611) 9.439 5.895 ( -0.000 -21.897 3.706) 22.208 6.134 ( 0.000 -11.645 -4.534) 12.496 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -2.843 -0.016 1.102) 3.049 1.362 ( 6.150 8.836 0.357) 10.772 1.845 ( 2.490 20.153 -4.627) 20.827 2.568 ( 7.154 2.460 2.875) 8.093 3.469 ( 3.885 17.393 -0.161) 17.823 3.625 ( 8.591 -1.579 -5.199) 10.165 3.731 ( -11.975 6.458 8.769) 16.186 4.251 ( 11.453 6.756 4.467) 14.027 4.385 ( 0.763 7.951 -1.967) 8.226 4.714 ( 3.791 7.002 -2.016) 8.214 5.650 ( -3.113 -23.543 3.080) 23.947 5.903 ( -11.833 -10.486 -6.303) 17.021 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 1.456 5.054 0.517) 5.285 1.584 ( 6.377 13.089 1.439) 14.631 2.105 ( 8.288 16.502 -1.288) 18.511 2.717 ( 5.540 5.004 -1.632) 7.642 3.536 ( -5.912 0.300 3.513) 6.884 3.703 ( 5.556 -1.663 -2.507) 6.318 3.863 ( 9.605 15.481 1.113) 18.253 4.423 ( 2.137 2.365 1.394) 3.479 4.507 ( 5.243 8.822 -1.691) 10.401 4.858 ( 4.925 5.640 -0.395) 7.498 5.386 ( -5.407 -18.503 3.998) 19.687 5.535 ( -15.095 -10.672 -4.523) 19.031 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 5.107 8.278 1.332) 9.818 1.810 ( 1.976 17.201 1.757) 17.403 2.414 ( 10.789 11.841 1.555) 16.094 2.844 ( 3.555 8.669 -4.575) 10.427 3.439 ( -4.428 -2.926 5.045) 7.322 3.768 ( 7.189 -7.028 -6.595) 12.024 4.165 ( 8.151 12.841 0.038) 15.209 4.434 ( -0.464 -1.597 -0.812) 1.851 4.682 ( 6.085 7.863 -0.697) 9.967 4.919 ( -3.382 3.528 -2.649) 5.559 5.056 ( -17.326 -3.747 -5.972) 18.706 5.341 ( 4.981 -14.885 12.253) 19.913 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 1.182 -4.569) 4.719 1.356 ( 0.000 7.146 -4.027) 8.203 2.017 ( 0.000 20.596 -5.967) 21.443 2.551 ( -0.000 3.616 8.740) 9.459 3.499 ( 0.000 -2.111 -4.822) 5.264 3.643 ( -0.000 20.262 0.133) 20.262 4.028 ( -0.000 8.852 12.487) 15.307 4.164 ( -0.000 6.397 3.426) 7.257 4.448 ( -0.000 7.251 -0.309) 7.257 4.731 ( -0.000 3.598 0.940) 3.719 5.432 ( 0.000 -25.444 -0.242) 25.445 5.877 ( 0.000 -9.832 -10.100) 14.096 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.785 5.153 -4.601) 6.952 1.511 ( 10.787 7.765 -3.320) 13.700 2.203 ( 1.625 18.826 -4.072) 19.329 2.671 ( 5.551 4.443 6.995) 9.974 3.478 ( 1.218 -2.079 -5.293) 5.816 3.891 ( 6.125 16.809 1.786) 17.979 3.921 ( -15.406 7.049 8.702) 19.046 4.386 ( 6.759 4.286 3.111) 8.587 4.534 ( 2.074 8.427 0.786) 8.714 4.800 ( 6.121 -1.108 4.814) 7.866 5.197 ( 0.245 -21.296 -0.383) 21.301 5.663 ( -10.299 -7.666 -12.399) 17.849 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 6.671 -5.919) 8.918 1.461 ( 0.000 6.618 -3.864) 7.663 2.350 ( 0.000 16.821 -3.969) 17.283 2.683 ( -0.000 3.845 7.663) 8.573 3.465 ( 0.000 1.209 -2.512) 2.788 4.003 ( -0.000 15.179 2.313) 15.354 4.261 ( -0.000 5.639 13.219) 14.371 4.292 ( -0.000 5.237 0.918) 5.317 4.573 ( -0.000 -3.054 6.245) 6.951 4.684 ( -0.000 -5.444 0.627) 5.480 5.043 ( 0.000 -8.578 -3.664) 9.327 5.636 ( 0.000 -6.162 -15.035) 16.249 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -0.000 0.000 8.623) 8.623 1.000 ( -0.000 0.000 8.623) 8.623 1.630 ( -0.000 0.000 13.842) 13.842 2.518 ( 0.000 -0.000 -4.437) 4.437 2.518 ( 0.000 -0.000 -4.437) 4.437 3.694 ( -0.000 0.000 5.318) 5.318 3.694 ( -0.000 0.000 5.318) 5.318 3.864 ( 0.000 -0.000 -3.802) 3.802 3.864 ( 0.000 -0.000 -3.802) 3.802 4.479 ( 0.000 -0.000 -8.508) 8.508 6.333 ( -0.000 0.000 7.355) 7.355 6.493 ( 0.000 -0.000 -3.554) 3.554 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 2.797 1.615 7.738) 8.385 1.182 ( 10.137 5.852 9.484) 15.065 1.476 ( -11.244 -6.491 2.669) 13.254 2.560 ( 2.702 1.560 -6.868) 7.544 2.721 ( 17.047 9.842 3.193) 19.942 3.592 ( -5.080 -2.933 4.977) 7.693 3.833 ( 6.664 3.847 -5.590) 9.511 3.962 ( 12.037 6.950 4.181) 14.515 3.975 ( 5.596 3.231 -3.713) 7.453 4.491 ( 3.353 1.936 -6.655) 7.699 6.248 ( -9.028 -5.212 6.421) 12.243 6.336 ( -12.554 -7.248 -2.316) 14.679 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 5.330 3.077 6.261) 8.779 1.178 ( -8.720 -5.035 10.385) 14.465 1.581 ( 16.858 9.733 -1.729) 19.542 2.597 ( 2.850 1.645 -8.487) 9.103 3.167 ( 20.172 11.646 5.830) 24.012 3.507 ( -3.652 -2.109 4.056) 5.852 3.991 ( 8.918 5.149 -10.521) 14.722 4.086 ( 5.258 3.036 -3.122) 6.827 4.250 ( 10.810 6.241 2.900) 12.814 4.598 ( 7.649 4.416 -3.643) 9.554 5.936 ( -20.628 -11.910 -0.231) 23.821 6.026 ( -12.931 -7.466 6.137) 16.144 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.085 0.049 7.504) 7.505 1.312 ( 6.162 3.557 4.968) 8.678 1.976 ( 17.403 10.047 2.563) 20.258 2.636 ( 3.177 1.834 -8.815) 9.548 3.460 ( -1.431 -0.826 3.208) 3.608 3.626 ( 18.863 10.890 3.891) 22.126 4.147 ( 8.090 4.671 -12.085) 15.275 4.191 ( 4.891 2.824 -2.175) 6.052 4.449 ( 7.358 4.248 -0.620) 8.519 4.756 ( 5.260 3.037 -4.308) 7.447 5.426 ( -23.587 -13.618 1.021) 27.255 5.778 ( -10.872 -6.277 10.432) 16.323 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.000 4.910 2.375) 5.455 1.171 ( -0.000 11.038 9.126) 14.322 1.522 ( 0.000 -10.407 -0.378) 10.413 2.471 ( -0.000 -0.571 1.686) 1.780 2.779 ( 0.000 21.778 -2.748) 21.951 3.687 ( 0.000 -5.798 -4.752) 7.497 3.705 ( -0.000 3.331 6.838) 7.606 3.888 ( -0.000 6.646 5.194) 8.435 4.060 ( 0.000 14.128 -5.034) 14.998 4.476 ( 0.000 4.488 -5.190) 6.861 6.254 ( -0.000 -12.676 5.568) 13.845 6.351 ( 0.000 -10.545 -3.634) 11.154 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.859 4.264 2.729) 5.135 1.286 ( -2.786 -5.733 7.714) 10.006 1.475 ( 6.446 15.310 -5.216) 17.411 2.534 ( 4.269 1.400 -1.026) 4.608 3.074 ( 9.986 20.519 0.899) 22.838 3.643 ( -9.419 4.366 6.316) 12.152 3.708 ( 10.008 -6.530 -6.585) 13.643 4.129 ( 11.761 7.548 4.796) 14.775 4.179 ( 0.654 12.486 -4.246) 13.204 4.550 ( 3.763 7.179 -2.830) 8.585 6.062 ( -7.183 -16.749 3.371) 18.534 6.123 ( -11.044 -12.529 -1.990) 16.820 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -1.425 -2.284 3.424) 4.355 1.349 ( 2.312 10.867 3.070) 11.527 1.814 ( 14.811 13.417 1.431) 20.036 2.607 ( 2.117 4.841 -5.271) 7.463 3.451 ( 9.526 11.123 3.549) 15.068 3.579 ( -1.968 8.144 4.522) 9.521 3.817 ( 13.205 -7.825 -8.916) 17.751 4.288 ( 0.544 11.551 -3.258) 12.014 4.371 ( 7.682 5.238 0.991) 9.350 4.709 ( 5.652 7.829 -1.218) 9.733 5.674 ( -19.981 -13.768 -1.897) 24.339 5.841 ( -6.348 -15.576 6.423) 18.005 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 6.402 -3.357) 7.229 1.229 ( 0.000 -8.686 0.303) 8.692 1.595 ( 0.000 20.239 -4.797) 20.800 2.520 ( -0.000 2.333 7.378) 7.738 3.209 ( 0.000 23.304 -3.033) 23.501 3.550 ( 0.000 -4.600 -4.885) 6.710 3.889 ( -0.000 8.954 10.486) 13.788 4.050 ( -0.000 6.603 4.281) 7.870 4.277 ( 0.000 10.525 -2.798) 10.890 4.589 ( 0.000 8.797 -1.553) 8.933 5.924 ( 0.000 -23.123 2.203) 23.228 6.084 ( 0.000 -13.330 -5.709) 14.501 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.000 0.000 3.036) 3.036 1.057 ( -0.000 0.000 3.036) 3.036 1.720 ( -0.000 0.000 4.856) 4.856 2.489 ( 0.000 -0.000 -1.633) 1.633 2.489 ( 0.000 -0.000 -1.633) 1.633 3.738 ( -0.000 0.000 3.107) 3.107 3.738 ( -0.000 0.000 3.107) 3.107 3.831 ( 0.000 -0.000 -2.586) 2.586 3.831 ( 0.000 -0.000 -2.586) 2.586 4.423 ( 0.000 -0.000 -3.090) 3.090 6.398 ( -0.000 0.000 6.113) 6.113 6.453 ( 0.000 -0.000 -4.803) 4.803 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 1.25e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 3.182 1.837 3.079) 4.794 1.223 ( 12.864 7.427 -1.048) 14.891 1.502 ( -14.540 -8.395 2.935) 17.044 2.503 ( 1.307 0.754 -4.822) 5.053 2.752 ( 18.714 10.804 3.078) 21.827 3.640 ( -5.277 -3.047 5.001) 7.883 3.771 ( 4.382 2.530 -6.894) 8.552 3.935 ( 5.825 3.363 -4.620) 8.160 4.010 ( 12.365 7.139 5.308) 15.233 4.455 ( 3.651 2.108 -0.797) 4.290 6.294 ( -11.118 -6.419 -0.341) 12.842 6.315 ( -9.658 -5.576 1.428) 11.243 =================== 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 3/40500 10.0 260.278 260.278 420.986 0.000 -0.000 -0.000 3/40500 20.0 113.183 113.183 114.955 0.000 -0.000 -0.000 3/40500 30.0 49.244 49.244 35.118 0.000 -0.000 -0.000 3/40500 40.0 26.351 26.351 15.283 0.000 -0.000 -0.000 3/40500 50.0 17.256 17.256 9.014 0.000 -0.000 -0.000 3/40500 60.0 12.798 12.798 6.359 0.000 -0.000 -0.000 3/40500 70.0 10.229 10.229 4.967 0.000 -0.000 -0.000 3/40500 80.0 8.568 8.568 4.118 0.000 -0.000 -0.000 3/40500 90.0 7.403 7.403 3.544 0.000 -0.000 -0.000 3/40500 100.0 6.537 6.537 3.125 0.000 -0.000 -0.000 3/40500 110.0 5.864 5.864 2.805 0.000 -0.000 -0.000 3/40500 120.0 5.325 5.325 2.549 0.000 -0.000 -0.000 3/40500 130.0 4.881 4.881 2.339 0.000 -0.000 -0.000 3/40500 140.0 4.509 4.509 2.163 0.000 -0.000 -0.000 3/40500 150.0 4.191 4.191 2.014 0.000 -0.000 -0.000 3/40500 160.0 3.917 3.917 1.884 0.000 -0.000 -0.000 3/40500 170.0 3.677 3.677 1.771 0.000 -0.000 -0.000 3/40500 180.0 3.466 3.466 1.671 0.000 -0.000 -0.000 3/40500 190.0 3.279 3.279 1.582 0.000 -0.000 -0.000 3/40500 200.0 3.111 3.111 1.502 0.000 -0.000 -0.000 3/40500 210.0 2.959 2.959 1.430 0.000 -0.000 -0.000 3/40500 220.0 2.822 2.822 1.364 0.000 -0.000 -0.000 3/40500 230.0 2.698 2.698 1.305 0.000 -0.000 -0.000 3/40500 240.0 2.584 2.584 1.250 0.000 -0.000 -0.000 3/40500 250.0 2.479 2.479 1.200 0.000 -0.000 -0.000 3/40500 260.0 2.383 2.383 1.154 0.000 -0.000 -0.000 3/40500 270.0 2.293 2.293 1.111 0.000 -0.000 -0.000 3/40500 280.0 2.211 2.211 1.072 0.000 -0.000 -0.000 3/40500 290.0 2.134 2.134 1.035 0.000 -0.000 -0.000 3/40500 300.0 2.062 2.062 1.000 0.000 -0.000 -0.000 3/40500 310.0 1.995 1.995 0.968 0.000 -0.000 -0.000 3/40500 320.0 1.933 1.933 0.938 0.000 -0.000 -0.000 3/40500 330.0 1.874 1.874 0.910 0.000 -0.000 -0.000 3/40500 340.0 1.818 1.818 0.883 0.000 -0.000 -0.000 3/40500 350.0 1.766 1.766 0.858 0.000 -0.000 -0.000 3/40500 360.0 1.717 1.717 0.834 0.000 -0.000 -0.000 3/40500 370.0 1.670 1.670 0.812 0.000 -0.000 -0.000 3/40500 380.0 1.626 1.626 0.790 0.000 -0.000 -0.000 3/40500 390.0 1.585 1.585 0.770 0.000 -0.000 -0.000 3/40500 400.0 1.545 1.545 0.751 0.000 -0.000 -0.000 3/40500 410.0 1.507 1.507 0.733 0.000 -0.000 -0.000 3/40500 420.0 1.471 1.471 0.715 0.000 -0.000 -0.000 3/40500 430.0 1.437 1.437 0.699 0.000 -0.000 -0.000 3/40500 440.0 1.404 1.404 0.683 0.000 -0.000 -0.000 3/40500 450.0 1.373 1.373 0.668 0.000 -0.000 -0.000 3/40500 460.0 1.343 1.343 0.653 0.000 -0.000 -0.000 3/40500 470.0 1.314 1.314 0.639 0.000 -0.000 -0.000 3/40500 480.0 1.287 1.287 0.626 0.000 -0.000 -0.000 3/40500 490.0 1.261 1.261 0.613 0.000 -0.000 -0.000 3/40500 500.0 1.236 1.236 0.601 0.000 -0.000 -0.000 3/40500 510.0 1.211 1.211 0.589 0.000 -0.000 -0.000 3/40500 520.0 1.188 1.188 0.578 0.000 -0.000 -0.000 3/40500 530.0 1.166 1.166 0.567 0.000 -0.000 -0.000 3/40500 540.0 1.144 1.144 0.557 0.000 -0.000 -0.000 3/40500 550.0 1.123 1.123 0.547 0.000 -0.000 -0.000 3/40500 560.0 1.103 1.103 0.537 0.000 -0.000 -0.000 3/40500 570.0 1.084 1.084 0.528 0.000 -0.000 -0.000 3/40500 580.0 1.065 1.065 0.519 0.000 -0.000 -0.000 3/40500 590.0 1.047 1.047 0.510 0.000 -0.000 -0.000 3/40500 600.0 1.030 1.030 0.501 0.000 -0.000 -0.000 3/40500 610.0 1.013 1.013 0.493 0.000 -0.000 -0.000 3/40500 620.0 0.996 0.996 0.485 0.000 -0.000 -0.000 3/40500 630.0 0.981 0.981 0.478 0.000 -0.000 -0.000 3/40500 640.0 0.965 0.965 0.470 0.000 -0.000 -0.000 3/40500 650.0 0.950 0.950 0.463 0.000 -0.000 -0.000 3/40500 660.0 0.936 0.936 0.456 0.000 -0.000 -0.000 3/40500 670.0 0.922 0.922 0.449 0.000 -0.000 -0.000 3/40500 680.0 0.909 0.909 0.443 0.000 -0.000 -0.000 3/40500 690.0 0.895 0.895 0.436 0.000 -0.000 -0.000 3/40500 700.0 0.883 0.883 0.430 0.000 -0.000 -0.000 3/40500 710.0 0.870 0.870 0.424 0.000 -0.000 -0.000 3/40500 720.0 0.858 0.858 0.418 0.000 -0.000 -0.000 3/40500 730.0 0.846 0.846 0.412 0.000 -0.000 -0.000 3/40500 740.0 0.835 0.835 0.407 0.000 -0.000 -0.000 3/40500 750.0 0.824 0.824 0.401 0.000 -0.000 -0.000 3/40500 760.0 0.813 0.813 0.396 0.000 -0.000 -0.000 3/40500 770.0 0.802 0.802 0.391 0.000 -0.000 -0.000 3/40500 780.0 0.792 0.792 0.386 0.000 -0.000 -0.000 3/40500 790.0 0.782 0.782 0.381 0.000 -0.000 -0.000 3/40500 800.0 0.772 0.772 0.376 0.000 -0.000 -0.000 3/40500 810.0 0.763 0.763 0.372 0.000 -0.000 -0.000 3/40500 820.0 0.753 0.753 0.367 0.000 -0.000 -0.000 3/40500 830.0 0.744 0.744 0.363 0.000 -0.000 -0.000 3/40500 840.0 0.736 0.736 0.358 0.000 -0.000 -0.000 3/40500 850.0 0.727 0.727 0.354 0.000 -0.000 -0.000 3/40500 860.0 0.718 0.718 0.350 0.000 -0.000 -0.000 3/40500 870.0 0.710 0.710 0.346 0.000 -0.000 -0.000 3/40500 880.0 0.702 0.702 0.342 0.000 -0.000 -0.000 3/40500 890.0 0.694 0.694 0.338 0.000 -0.000 -0.000 3/40500 900.0 0.687 0.687 0.335 0.000 -0.000 -0.000 3/40500 910.0 0.679 0.679 0.331 0.000 -0.000 -0.000 3/40500 920.0 0.672 0.672 0.327 0.000 -0.000 -0.000 3/40500 930.0 0.664 0.664 0.324 0.000 -0.000 -0.000 3/40500 940.0 0.657 0.657 0.320 0.000 -0.000 -0.000 3/40500 950.0 0.650 0.650 0.317 0.000 -0.000 -0.000 3/40500 960.0 0.644 0.644 0.314 0.000 -0.000 -0.000 3/40500 970.0 0.637 0.637 0.311 0.000 -0.000 -0.000 3/40500 980.0 0.631 0.631 0.307 0.000 -0.000 -0.000 3/40500 990.0 0.624 0.624 0.304 0.000 -0.000 -0.000 3/40500 1000.0 0.618 0.618 0.301 0.000 -0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:11:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|