----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:10:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.724625725681226 0.995713126973407 6.472952423333325 b -1.724625725681222 0.995713126973407 6.472952423333325 c 0.000000000000002 -1.991426253946817 6.472952423333325 Atomic positions (fractional): *1 O 0.22474058333750 0.22474058333750 0.22474058333750 15.999 2 O 0.77525941666250 0.77525941666250 0.77525941666250 15.999 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.449251451362448 0.000000000000000 0.000000000000000 b -1.724625725681224 2.987139380920225 0.000000000000000 c 0.000000000000000 0.000000000000000 19.418857269999997 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22474058333750 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.10859274999584 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.55807391667083 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.44192608332917 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.89140725000416 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.77525941666250 15.999 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Ho 0.33333333333333 0.66666666666667 0.16666666666667 164.930 > 4 11 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 4 12 Ho 0.66666666666667 0.33333333333333 0.83333333333333 164.930 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.347754354087344 0.000000000000000 0.000000000000000 b -5.173877177043672 8.961418142760674 0.000000000000000 c 0.000000000000000 0.000000000000000 19.418857269999997 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22474058333750 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22474058333750 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22474058333750 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22474058333750 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22474058333750 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22474058333750 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22474058333750 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22474058333750 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22474058333750 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10859274999584 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.10859274999584 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.10859274999584 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.10859274999584 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.10859274999584 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.10859274999584 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.10859274999584 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.10859274999584 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.10859274999584 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.55807391667083 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.55807391667083 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.55807391667083 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.55807391667083 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.55807391667083 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.55807391667083 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.55807391667083 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.55807391667083 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.55807391667083 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.44192608332917 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.44192608332917 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.44192608332917 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.44192608332917 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.44192608332917 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.44192608332917 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.44192608332917 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.44192608332917 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.44192608332917 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.89140725000416 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89140725000416 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89140725000416 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89140725000416 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89140725000416 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89140725000416 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89140725000416 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89140725000416 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89140725000416 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77525941666250 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.77525941666250 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.77525941666250 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.77525941666250 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.77525941666250 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.77525941666250 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.77525941666250 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.77525941666250 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.77525941666250 15.999 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 4 83 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 4 84 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 4 85 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 4 86 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 4 87 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 4 88 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 4 89 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 4 90 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 4 91 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 4 92 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 4 93 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 4 94 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 4 95 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 4 96 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 4 97 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 4 98 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 4 99 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 4 100 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 4 101 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 4 102 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 4 103 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 4 104 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 4 105 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 4 106 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 4 107 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 4 108 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9333389 0.0000000 0.0000000 0.0000000 3.9333389 0.0000000 0.0000000 0.0000000 3.5469346 -------------------------- Born effective charges -------------------------- 1 O -2.6487837 -0.0000000 0.0000000 0.0000000 -2.6487837 0.0000000 0.0000000 0.0000000 -2.1280775 2 O -2.6487837 -0.0000000 0.0000000 0.0000000 -2.6487837 0.0000000 0.0000000 0.0000000 -2.1280775 3 Rb 1.0781473 0.0000000 0.0000000 0.0000000 1.0781473 0.0000000 0.0000000 0.0000000 1.7452776 4 Ho 4.2194201 0.0000000 0.0000000 0.0000000 4.2194201 0.0000000 0.0000000 0.0000000 2.5108774 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 169 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.129 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.135 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 169 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:10:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:10:08]------------------------- 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 1.724625725681226 0.995713126973407 6.472952423333325 b -1.724625725681222 0.995713126973407 6.472952423333325 c 0.000000000000002 -1.991426253946817 6.472952423333325 Atomic positions (fractional): 1 O 0.22474058333750 0.22474058333750 0.22474058333750 15.999 2 O 0.77525941666250 0.77525941666250 0.77525941666250 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.347754354087344 0.000000000000000 0.000000000000000 b -5.173877177043672 8.961418142760674 0.000000000000000 c 0.000000000000000 0.000000000000000 19.418857269999997 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22474058333750 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22474058333750 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22474058333750 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22474058333750 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22474058333750 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22474058333750 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22474058333750 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22474058333750 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22474058333750 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10859274999584 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10859274999584 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10859274999584 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10859274999584 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10859274999584 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10859274999584 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10859274999584 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10859274999584 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10859274999584 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.55807391667083 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.55807391667083 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.55807391667083 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.55807391667083 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.55807391667083 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.55807391667083 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.55807391667083 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.55807391667083 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.55807391667083 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.44192608332917 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.44192608332917 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.44192608332917 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.44192608332917 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.44192608332917 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.44192608332917 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.44192608332917 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.44192608332917 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.44192608332917 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89140725000416 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89140725000416 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89140725000416 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89140725000416 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89140725000416 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89140725000416 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89140725000416 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89140725000416 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89140725000416 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77525941666250 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77525941666250 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77525941666250 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77525941666250 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77525941666250 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77525941666250 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77525941666250 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77525941666250 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77525941666250 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 82 83 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 82 84 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 82 85 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 82 86 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 82 87 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 82 88 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 82 89 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 82 90 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 82 91 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 82 92 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 82 93 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 82 94 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 82 95 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 82 96 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 82 97 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 82 98 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 82 99 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 82 100 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 82 101 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 82 102 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 82 103 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 82 104 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 82 105 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 82 106 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 82 107 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 82 108 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9333389 0.0000000 0.0000000 0.0000000 3.9333389 0.0000000 0.0000000 0.0000000 3.5469346 -------------------------- Born effective charges -------------------------- 1 O -2.6487837 -0.0000000 0.0000000 0.0000000 -2.6487837 0.0000000 0.0000000 0.0000000 -2.1280775 2 O -2.6487837 -0.0000000 0.0000000 0.0000000 -2.6487837 0.0000000 0.0000000 0.0000000 -2.1280775 3 Rb 1.0781473 0.0000000 0.0000000 0.0000000 1.0781473 0.0000000 0.0000000 0.0000000 1.7452776 4 Ho 4.2194201 0.0000000 0.0000000 0.0000000 4.2194201 0.0000000 0.0000000 0.0000000 2.5108774 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:10:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:10:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.724625725681226 0.995713126973407 6.472952423333325 b -1.724625725681222 0.995713126973407 6.472952423333325 c 0.000000000000002 -1.991426253946817 6.472952423333325 Atomic positions (fractional): 1 O 0.22474058333750 0.22474058333750 0.22474058333750 15.999 2 O 0.77525941666250 0.77525941666250 0.77525941666250 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.347754354087344 0.000000000000000 0.000000000000000 b -5.173877177043672 8.961418142760674 0.000000000000000 c 0.000000000000000 0.000000000000000 19.418857269999997 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22474058333750 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22474058333750 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22474058333750 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22474058333750 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22474058333750 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22474058333750 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22474058333750 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22474058333750 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22474058333750 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10859274999584 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10859274999584 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10859274999584 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10859274999584 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10859274999584 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10859274999584 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10859274999584 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10859274999584 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10859274999584 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.55807391667083 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.55807391667083 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.55807391667083 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.55807391667083 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.55807391667083 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.55807391667083 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.55807391667083 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.55807391667083 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.55807391667083 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.44192608332917 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.44192608332917 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.44192608332917 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.44192608332917 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.44192608332917 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.44192608332917 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.44192608332917 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.44192608332917 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.44192608332917 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89140725000416 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89140725000416 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89140725000416 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89140725000416 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89140725000416 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89140725000416 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89140725000416 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89140725000416 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89140725000416 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77525941666250 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77525941666250 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77525941666250 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77525941666250 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77525941666250 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77525941666250 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77525941666250 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77525941666250 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77525941666250 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 82 83 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 82 84 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 82 85 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 82 86 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 82 87 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 82 88 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 82 89 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 82 90 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 82 91 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 82 92 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 82 93 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 82 94 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 82 95 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 82 96 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 82 97 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 82 98 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 82 99 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 82 100 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 82 101 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 82 102 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 82 103 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 82 104 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 82 105 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 82 106 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 82 107 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 82 108 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9333389 0.0000000 0.0000000 0.0000000 3.9333389 0.0000000 0.0000000 0.0000000 3.5469346 -------------------------- Born effective charges -------------------------- 1 O -2.6487837 -0.0000000 0.0000000 0.0000000 -2.6487837 0.0000000 0.0000000 0.0000000 -2.1280775 2 O -2.6487837 -0.0000000 0.0000000 0.0000000 -2.6487837 0.0000000 0.0000000 0.0000000 -2.1280775 3 Rb 1.0781473 0.0000000 0.0000000 0.0000000 1.0781473 0.0000000 0.0000000 0.0000000 1.7452776 4 Ho 4.2194201 0.0000000 0.0000000 0.0000000 4.2194201 0.0000000 0.0000000 0.0000000 2.5108774 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 17 17 17 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.02, Number of G-points: 301, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 14.269 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 19.311 11.149 6.791) 23.310 0.564 ( 24.475 14.130 -0.815) 28.273 1.036 ( 43.457 25.090 6.748) 50.632 2.146 ( 2.696 1.556 -0.592) 3.168 2.268 ( 11.954 6.902 -0.278) 13.806 4.398 ( -1.084 -0.626 3.376) 3.601 7.061 ( 5.063 2.923 0.339) 5.856 9.611 ( -13.958 -8.059 -12.225) 20.230 10.880 ( -2.922 -1.687 0.008) 3.374 11.064 ( 13.174 7.606 -18.203) 23.722 14.003 ( -19.014 -10.978 3.457) 22.226 14.885 ( 9.267 5.350 -5.567) 12.062 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 18.879 10.900 4.908) 22.345 1.097 ( 22.280 12.863 -0.441) 25.730 1.970 ( 35.328 20.397 6.357) 41.286 2.235 ( 5.436 3.139 -1.112) 6.375 2.673 ( 24.226 13.987 -0.343) 27.975 4.373 ( -1.581 -0.913 -0.263) 1.845 7.233 ( 9.948 5.743 0.390) 11.494 9.207 ( -18.603 -10.741 0.895) 21.500 10.787 ( -5.132 -2.963 0.089) 5.926 11.311 ( 12.552 7.247 -20.736) 25.299 13.526 ( -23.754 -13.714 8.935) 28.847 15.030 ( 4.445 2.567 -5.325) 7.396 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 18.009 10.397 3.252) 21.047 1.559 ( 18.072 10.434 0.016) 20.868 2.389 ( 8.449 4.878 -1.455) 9.864 2.634 ( 22.540 13.013 4.381) 26.393 3.364 ( 34.657 20.009 0.239) 40.019 4.321 ( -2.688 -1.552 -1.992) 3.688 7.510 ( 14.125 8.155 0.002) 16.310 8.815 ( -15.269 -8.815 -0.367) 17.635 10.657 ( -6.104 -3.524 0.312) 7.056 11.475 ( 6.757 3.901 -19.912) 21.386 13.000 ( -25.497 -14.721 15.824) 33.425 15.053 ( -0.430 -0.249 -7.470) 7.487 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 16.536 9.547 2.792) 19.297 1.907 ( 12.481 7.206 0.239) 14.413 2.610 ( 11.160 6.443 -1.409) 12.963 3.082 ( 16.660 9.619 2.052) 19.347 4.123 ( 24.226 13.987 -6.648) 28.753 4.263 ( 4.535 2.618 4.417) 6.851 7.863 ( 16.642 9.608 -0.769) 19.232 8.538 ( -7.916 -4.570 -4.442) 10.163 10.522 ( -5.634 -3.253 0.717) 6.545 11.478 ( -1.425 -0.823 -20.181) 20.248 12.477 ( -25.409 -14.670 22.679) 37.083 14.985 ( -2.771 -1.600 -9.268) 9.805 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 14.532 8.390 3.567) 17.155 2.137 ( 7.993 4.615 0.146) 9.230 2.869 ( 11.452 6.612 -1.003) 13.261 3.414 ( 12.436 7.180 -1.469) 14.434 4.091 ( -5.863 -3.385 -3.325) 7.543 4.855 ( 26.450 15.271 2.291) 30.627 8.242 ( 16.505 9.529 -1.666) 19.131 8.444 ( 1.502 0.867 -7.965) 8.151 10.415 ( -3.900 -2.252 1.253) 4.675 11.285 ( -10.137 -5.853 -18.402) 21.810 11.984 ( -24.200 -13.972 23.963) 36.812 14.897 ( -1.969 -1.137 -9.007) 9.289 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 5.141 2.968 0.022) 5.936 2.434 ( 12.457 7.192 4.861) 15.184 3.105 ( 9.241 5.335 -0.590) 10.687 3.619 ( 5.692 3.286 -9.121) 11.242 3.951 ( -4.925 -2.843 3.723) 6.797 5.381 ( 19.297 11.141 1.129) 22.310 8.558 ( 10.692 6.173 -9.625) 15.655 8.581 ( 13.392 7.732 -2.247) 15.626 10.357 ( -1.550 -0.895 1.658) 2.440 10.928 ( -17.203 -9.932 -9.194) 21.888 11.519 ( -21.539 -12.435 14.931) 29.009 14.853 ( 0.168 0.097 -6.664) 6.667 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 2.975 1.717 -0.024) 3.435 2.713 ( 10.745 6.203 5.836) 13.711 3.277 ( 5.832 3.367 -0.298) 6.740 3.558 ( -6.532 -3.771 -11.403) 13.672 3.958 ( 2.756 1.591 5.487) 6.343 5.738 ( 11.861 6.848 0.516) 13.706 8.822 ( 8.254 4.766 -1.996) 9.738 8.860 ( 18.029 10.409 -9.520) 22.892 10.350 ( 0.211 0.122 1.496) 1.516 10.453 ( -23.449 -13.538 2.335) 27.177 11.132 ( -14.054 -8.114 3.287) 16.557 14.857 ( 1.255 0.724 -3.719) 3.991 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 0.983 0.567 -0.014) 1.135 2.946 ( 7.238 4.179 4.715) 9.596 3.359 ( -6.655 -3.842 -6.236) 9.897 3.365 ( 1.980 1.143 -0.090) 2.289 4.026 ( 1.559 0.900 1.551) 2.376 5.921 ( 4.049 2.338 0.149) 4.678 8.942 ( 2.699 1.558 -0.799) 3.218 9.296 ( 21.379 12.343 -7.998) 25.949 9.909 ( -23.863 -13.778 6.638) 28.343 10.363 ( 0.374 0.216 0.605) 0.744 10.923 ( -4.569 -2.638 -0.279) 5.284 14.874 ( 0.661 0.381 -1.152) 1.381 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.000 20.817 19.129) 28.271 0.606 ( 0.000 27.581 8.245) 28.787 1.023 ( 0.000 49.324 4.355) 49.516 2.145 ( 0.000 3.173 -0.774) 3.266 2.264 ( 0.000 13.761 -1.280) 13.821 4.411 ( 0.000 -3.209 5.870) 6.690 7.062 ( 0.000 5.874 0.666) 5.912 9.508 ( -0.000 -6.047 -33.236) 33.782 10.878 ( -0.000 -3.475 -0.572) 3.521 11.063 ( 0.000 17.368 -16.384) 23.876 14.005 ( -0.000 -22.771 3.713) 23.071 14.851 ( 0.000 12.691 -11.652) 17.229 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 7.995 18.857 14.030) 24.827 1.012 ( 11.192 24.373 4.174) 27.142 1.739 ( 23.979 36.740 6.437) 44.343 2.207 ( 2.814 5.230 -1.315) 6.083 2.527 ( 11.955 20.053 -1.334) 23.384 4.383 ( -1.099 -2.018 0.494) 2.350 7.179 ( 4.944 8.750 0.941) 10.094 9.294 ( -6.785 -16.344 -5.420) 18.508 10.796 ( -2.890 -5.185 -1.355) 6.089 11.219 ( 4.155 16.823 -21.996) 28.002 13.672 ( -11.586 -24.234 7.450) 27.875 14.978 ( 4.114 7.030 -8.095) 11.483 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 12.485 15.787 8.907) 22.009 1.447 ( 12.596 19.427 2.222) 23.259 2.337 ( 5.356 8.271 -1.743) 10.007 2.441 ( 20.576 21.324 5.648) 30.166 3.076 ( 25.208 27.052 -0.764) 36.984 4.336 ( -1.861 -2.043 -2.255) 3.567 7.406 ( 9.485 11.426 0.870) 14.875 8.957 ( -12.881 -13.946 0.871) 19.004 10.685 ( -3.131 -6.094 -0.910) 6.911 11.366 ( 4.755 9.928 -23.121) 25.608 13.223 ( -16.621 -23.277 13.558) 31.653 15.039 ( 0.350 2.328 -8.014) 8.353 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 13.540 13.452 5.657) 19.907 1.816 ( 10.408 13.864 1.604) 17.410 2.542 ( 7.570 11.868 -1.767) 14.187 2.923 ( 15.692 13.327 3.342) 20.857 3.820 ( 28.613 24.913 -2.235) 38.004 4.272 ( -1.828 -1.508 -1.216) 2.663 7.724 ( 12.841 13.557 0.361) 18.677 8.633 ( -10.994 -8.255 -1.773) 13.862 10.569 ( -3.844 -4.665 -0.035) 6.045 11.410 ( 1.214 1.538 -22.440) 22.525 12.747 ( -18.864 -21.516 19.907) 34.858 14.995 ( -3.037 -0.421 -9.285) 9.778 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 13.314 11.025 4.494) 17.861 2.082 ( 6.924 9.767 0.986) 12.012 2.806 ( 8.246 14.295 -1.392) 16.561 3.278 ( 12.383 9.055 0.381) 15.345 4.115 ( -2.304 -2.737 -6.888) 7.762 4.593 ( 24.740 19.790 4.238) 31.964 8.094 ( 13.855 14.145 -0.518) 19.806 8.441 ( -3.725 -1.634 -5.601) 6.922 10.469 ( -4.027 -2.046 0.759) 4.580 11.292 ( -4.843 -5.648 -20.815) 22.105 12.281 ( -20.133 -19.077 22.870) 35.949 14.897 ( -3.197 -1.568 -9.473) 10.120 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 4.278 7.447 0.818) 8.627 2.312 ( 12.126 8.977 4.341) 15.700 3.074 ( 6.397 14.640 -1.012) 16.008 3.516 ( 7.809 4.746 -5.627) 10.732 4.002 ( -4.167 -3.876 -0.267) 5.697 5.168 ( 20.627 14.688 2.052) 25.405 8.398 ( 8.696 4.254 -5.392) 11.082 8.505 ( 9.070 13.453 -4.128) 16.742 10.400 ( -3.373 0.100 1.435) 3.667 11.025 ( -10.342 -10.008 -15.332) 21.028 11.816 ( -21.632 -15.725 18.626) 32.591 14.820 ( -0.433 -1.934 -7.506) 7.763 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 1.666 6.633 0.238) 6.843 2.603 ( 11.210 6.783 5.158) 14.081 3.292 ( 2.863 13.676 -0.806) 13.996 3.560 ( -1.573 -1.895 -12.663) 12.900 3.951 ( 0.554 -0.729 6.592) 6.655 5.590 ( 14.577 8.908 1.167) 17.123 8.612 ( 14.653 5.695 -7.353) 17.355 8.794 ( 7.523 14.432 -3.424) 16.631 10.356 ( -2.565 -0.819 2.021) 3.367 10.666 ( -15.178 -11.584 -5.885) 19.979 11.370 ( -19.819 -9.008 8.952) 23.538 14.799 ( 2.493 -2.485 -4.345) 5.592 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -0.604 5.821 -0.002) 5.852 2.856 ( 9.612 4.694 5.065) 11.835 3.397 ( -4.821 -2.159 -9.427) 10.806 3.441 ( -2.890 9.967 -1.424) 10.475 4.002 ( 2.339 -0.277 4.389) 4.982 5.847 ( 8.001 3.538 0.658) 8.773 8.923 ( 10.792 7.492 -2.596) 13.392 9.037 ( 12.152 11.392 -7.573) 18.298 10.164 ( -18.581 -13.299 5.106) 23.414 10.379 ( -3.443 -1.682 -0.546) 3.871 11.069 ( -12.034 1.041 1.315) 12.150 14.817 ( 3.560 -3.447 -1.362) 5.139 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -2.738 4.736 -0.134) 5.472 2.979 ( -1.361 -2.408 -1.853) 3.329 3.306 ( 3.135 1.530 -0.678) 3.554 3.482 ( -5.855 10.224 -0.029) 11.782 4.023 ( 0.098 -1.989 1.280) 2.367 5.934 ( 0.616 -1.307 0.312) 1.478 9.027 ( -3.717 6.894 -0.498) 7.848 9.359 ( 9.730 -5.960 -2.856) 11.762 9.786 ( -7.267 3.172 2.252) 8.243 10.352 ( 1.019 -1.659 0.241) 1.962 10.978 ( -4.372 7.460 -0.333) 8.653 14.835 ( 2.923 -4.314 1.123) 5.331 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -4.682 3.279 -0.229) 5.721 2.806 ( -9.174 -5.791 -6.033) 12.414 3.435 ( -9.415 7.421 0.723) 12.010 3.486 ( 9.046 4.470 6.369) 11.933 3.971 ( -2.743 -3.335 -2.038) 4.775 5.844 ( -7.293 -5.310 0.009) 9.021 8.941 ( -9.732 -3.034 1.317) 10.279 9.106 ( -16.308 -7.607 7.282) 19.413 10.115 ( 21.857 10.337 -5.650) 24.830 10.382 ( 2.755 3.395 0.181) 4.376 11.056 ( 4.162 9.447 -1.424) 10.420 14.839 ( 1.913 -4.300 3.462) 5.843 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -6.470 1.484 -0.364) 6.648 2.556 ( -11.250 -5.776 -5.126) 13.646 3.299 ( -13.361 4.729 0.601) 14.186 3.672 ( 2.456 -0.034 11.748) 12.002 3.888 ( 0.674 -0.807 -7.380) 7.454 5.583 ( -15.334 -8.370 -0.378) 17.473 8.676 ( -11.277 -10.012 6.531) 16.433 8.828 ( -16.534 -0.089 4.187) 17.056 10.339 ( 2.311 1.914 -1.700) 3.449 10.702 ( 21.598 10.812 1.534) 24.202 11.291 ( 13.360 9.876 -7.778) 18.344 14.846 ( 1.815 -2.859 5.851) 6.760 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -9.131 -2.448 -1.670) 9.600 2.281 ( -12.958 -3.651 -2.242) 13.648 3.083 ( -15.839 2.014 0.842) 15.989 3.558 ( -10.767 -5.850 3.631) 12.780 4.004 ( 8.455 2.971 0.018) 8.961 5.154 ( -23.601 -10.799 -0.992) 25.974 8.441 ( -11.703 -6.253 3.979) 13.852 8.552 ( -12.864 -1.864 6.135) 14.373 10.386 ( 1.731 3.136 -1.456) 3.867 11.158 ( 17.789 6.362 13.760) 23.372 11.636 ( 20.638 9.491 -20.473) 30.580 14.889 ( 2.821 -0.398 7.700) 8.210 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -16.146 -6.270 -2.096) 17.447 2.077 ( -12.013 -1.518 -0.128) 12.109 2.817 ( -16.342 0.090 1.014) 16.373 3.275 ( -15.468 -6.717 -0.138) 16.864 4.163 ( 6.278 1.805 3.336) 7.335 4.563 ( -31.486 -12.358 -2.238) 33.899 8.102 ( -19.425 -5.558 1.038) 20.231 8.494 ( 2.238 1.112 5.957) 6.460 10.460 ( 4.036 2.705 -1.084) 4.978 11.473 ( 7.898 1.828 18.571) 20.264 12.067 ( 27.092 9.146 -23.675) 37.123 14.976 ( 3.500 1.497 7.832) 8.708 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -19.122 -5.979 -1.082) 20.064 1.810 ( -17.203 -2.677 0.117) 17.411 2.554 ( -13.895 -0.667 0.968) 13.944 2.899 ( -20.582 -6.941 -1.824) 21.797 3.830 ( -37.701 -12.451 -0.088) 39.704 4.282 ( 4.158 1.183 1.048) 4.448 7.724 ( -18.338 -4.845 0.352) 18.971 8.652 ( 11.210 4.217 2.361) 12.207 10.567 ( 6.200 1.404 -0.551) 6.381 11.580 ( -1.229 -0.710 13.788) 13.861 12.583 ( 29.841 7.883 -14.987) 34.311 15.065 ( 2.017 1.496 5.892) 6.405 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -21.446 -4.777 -0.857) 21.988 1.439 ( -23.158 -2.311 0.505) 23.279 2.348 ( -9.772 -0.625 0.601) 9.811 2.404 ( -30.218 -6.500 -2.398) 31.002 3.079 ( -35.765 -7.844 -0.206) 36.616 4.348 ( 2.373 0.441 0.616) 2.491 7.402 ( -14.747 -2.792 -0.024) 15.009 8.952 ( 18.030 4.174 -0.264) 18.509 10.689 ( 7.013 0.190 -0.076) 7.016 11.518 ( -8.749 -1.010 9.027) 12.612 13.127 ( 29.692 5.153 -6.516) 30.832 15.090 ( -1.939 0.158 2.906) 3.497 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -22.677 -0.000 0.000) 22.677 0.993 ( -27.323 -0.000 0.000) 27.323 1.710 ( -44.726 -0.000 0.000) 44.726 2.213 ( -5.916 -0.000 0.000) 5.916 2.533 ( -23.295 -0.000 0.000) 23.295 4.380 ( 1.159 0.000 -0.000) 1.159 7.175 ( -10.067 -0.000 0.000) 10.067 9.319 ( 21.623 0.000 -0.000) 21.623 10.802 ( 6.007 0.000 -0.000) 6.007 11.327 ( -14.407 -0.000 0.000) 14.407 13.635 ( 27.193 0.000 -0.000) 27.193 15.017 ( -6.915 -0.000 0.000) 6.915 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 20.066 16.790) 26.164 1.171 ( 0.000 24.585 7.294) 25.644 1.952 ( 0.000 40.465 4.766) 40.745 2.232 ( 0.000 6.393 -1.564) 6.582 2.657 ( 0.000 27.672 -2.097) 27.752 4.369 ( -0.000 -2.517 -0.796) 2.640 7.242 ( 0.000 11.746 1.316) 11.820 9.157 ( -0.000 -16.333 -4.378) 16.910 10.776 ( -0.000 -6.182 -1.103) 6.280 11.294 ( -0.000 15.729 -21.331) 26.503 13.514 ( -0.000 -29.443 7.496) 30.382 14.994 ( -0.000 7.766 -8.423) 11.457 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 3.229 19.156 13.554) 23.688 1.495 ( 7.234 20.888 5.439) 22.765 2.337 ( 4.180 9.036 -1.872) 10.131 2.426 ( 10.825 27.897 4.731) 30.295 3.059 ( 11.783 34.507 -1.926) 36.514 4.331 ( -1.011 -2.409 -2.642) 3.715 7.416 ( 4.728 14.458 1.570) 15.292 8.958 ( -4.591 -15.438 1.157) 16.148 10.672 ( -3.184 -6.354 -1.775) 7.326 11.363 ( 0.428 10.330 -23.346) 25.533 13.189 ( -6.368 -29.620 11.557) 32.426 15.041 ( 0.353 4.191 -7.733) 8.803 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 7.173 16.576 9.477) 20.397 1.823 ( 7.701 16.090 3.757) 18.229 2.542 ( 7.348 13.564 -1.803) 15.532 2.850 ( 11.274 17.647 3.190) 21.183 3.672 ( 19.706 31.769 -2.884) 37.496 4.280 ( -1.250 -1.162 -1.915) 2.565 7.693 ( 8.837 16.811 1.663) 19.064 8.713 ( -8.768 -10.504 0.905) 13.712 10.563 ( -1.900 -5.245 -1.511) 5.780 11.355 ( -0.650 2.336 -23.941) 24.063 12.806 ( -10.155 -27.574 16.891) 33.893 15.022 ( -2.794 0.946 -8.110) 8.630 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 9.260 13.369 6.622) 17.560 2.089 ( 6.101 12.230 2.546) 13.902 2.829 ( 8.150 17.800 -1.487) 19.633 3.183 ( 10.307 11.468 0.890) 15.445 4.077 ( 2.529 1.405 -9.399) 9.834 4.456 ( 16.612 21.663 5.467) 27.841 8.043 ( 10.922 17.844 1.412) 20.968 8.497 ( -6.887 -3.499 -2.465) 8.108 10.498 ( -1.261 -2.126 -0.350) 2.496 11.235 ( -3.230 -5.654 -22.795) 23.707 12.411 ( -12.618 -24.496 20.176) 34.152 14.925 ( -4.903 -1.093 -8.629) 9.985 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 9.613 9.442 5.676) 14.621 2.297 ( 4.498 11.450 1.293) 12.369 3.136 ( 6.392 19.183 -1.550) 20.279 3.424 ( 7.606 6.385 -3.617) 10.569 4.016 ( -2.400 -3.543 -2.760) 5.092 5.000 ( 18.574 18.572 2.762) 26.411 8.327 ( 3.629 5.271 -2.413) 6.839 8.501 ( 6.961 15.216 -2.073) 16.861 10.469 ( -2.361 1.887 0.585) 3.079 11.005 ( -6.112 -10.988 -18.880) 22.684 12.013 ( -15.077 -20.526 18.572) 31.520 14.804 ( -3.578 -2.596 -7.851) 9.010 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 3.397 7.992 2.660) 9.083 2.520 ( 8.340 9.880 3.265) 13.335 3.390 ( 3.517 14.282 -3.990) 15.240 3.530 ( 1.130 4.664 -8.297) 9.585 3.961 ( -0.740 -1.325 5.021) 5.245 5.438 ( 14.767 11.029 1.688) 18.508 8.441 ( 8.621 4.748 -5.078) 11.074 8.823 ( 7.776 18.701 -1.364) 20.299 10.441 ( -4.854 3.327 0.696) 5.926 10.716 ( -8.289 -12.562 -11.479) 18.928 11.615 ( -16.522 -13.620 12.221) 24.655 14.720 ( 0.287 -4.333 -5.465) 6.980 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -0.349 8.920 0.951) 8.977 2.760 ( 8.877 6.186 4.123) 11.579 3.401 ( -2.872 -3.516 -12.422) 13.226 3.627 ( -1.976 16.996 -0.457) 17.117 3.986 ( 0.862 0.761 6.060) 6.168 5.730 ( 10.207 4.217 1.119) 11.100 8.694 ( 15.821 6.132 -4.566) 17.571 9.084 ( 2.968 15.772 -2.586) 16.256 10.347 ( -10.250 -0.664 2.266) 10.518 10.418 ( -8.578 -10.145 -4.283) 13.958 11.303 ( -12.871 -1.749 4.461) 13.734 14.694 ( 3.842 -6.257 -2.419) 7.731 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -3.419 8.490 0.071) 9.152 2.938 ( 4.555 0.704 1.569) 4.869 3.284 ( -1.333 -0.674 -7.395) 7.544 3.723 ( -5.448 14.618 0.301) 15.604 4.012 ( -0.697 0.443 3.297) 3.399 5.876 ( 4.811 -1.266 0.740) 5.030 9.035 ( 18.147 2.991 -2.847) 18.611 9.191 ( -3.929 7.843 -3.096) 9.302 10.065 ( -17.762 2.442 4.687) 18.532 10.297 ( 1.088 -5.146 -1.726) 5.536 11.168 ( -7.917 7.233 0.032) 10.724 14.704 ( 5.416 -7.572 0.431) 9.320 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -5.861 6.340 -0.646) 8.658 2.878 ( -6.637 -3.851 -4.739) 9.019 3.378 ( 8.820 4.070 1.925) 9.903 3.726 ( -9.789 11.911 0.815) 15.439 3.982 ( -3.234 -0.968 0.355) 3.395 5.873 ( -1.734 -5.045 0.427) 5.352 9.047 ( -7.826 -10.684 -1.008) 13.282 9.258 ( -1.492 4.487 3.279) 5.754 9.996 ( 2.186 14.831 -2.579) 15.212 10.329 ( 5.276 0.023 1.758) 5.561 11.146 ( -3.729 8.740 -2.202) 9.754 14.727 ( 5.405 -7.426 2.874) 9.624 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -7.310 2.263 -1.632) 7.824 2.686 ( -10.350 -1.585 -3.932) 11.184 3.595 ( 9.551 2.705 6.805) 12.036 3.629 ( -13.935 9.840 0.350) 17.063 3.888 ( -4.896 -2.375 -3.462) 6.450 5.720 ( -9.258 -6.995 0.120) 11.604 8.771 ( -10.055 -11.668 3.709) 15.843 9.139 ( -15.521 3.261 3.162) 16.172 10.289 ( 10.122 11.307 -3.558) 15.587 10.488 ( 11.913 5.829 2.296) 13.460 11.209 ( 3.914 6.631 -4.994) 9.178 14.763 ( 5.098 -5.456 4.836) 8.896 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -8.803 -2.631 -2.870) 9.625 2.482 ( -12.454 1.562 -1.271) 12.616 3.434 ( -18.420 7.310 1.442) 19.870 3.676 ( -7.052 -4.380 5.947) 10.212 3.869 ( 9.056 2.240 -4.162) 10.215 5.419 ( -17.675 -7.565 -0.239) 19.227 8.537 ( -7.437 -7.401 5.124) 11.676 8.859 ( -19.744 0.607 2.432) 19.903 10.421 ( -0.810 6.815 -1.148) 6.958 10.895 ( 22.960 6.693 5.770) 24.602 11.378 ( 11.987 4.202 -11.450) 17.101 14.829 ( 5.287 -2.331 5.891) 8.252 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -12.909 -3.641 -2.124) 13.580 2.283 ( -12.526 1.222 -0.198) 12.587 3.161 ( -20.396 4.343 1.032) 20.879 3.462 ( -12.543 -4.732 0.795) 13.429 4.052 ( 9.197 1.489 0.646) 9.339 4.966 ( -26.734 -7.168 -0.623) 27.685 8.369 ( -12.075 -3.043 2.214) 12.648 8.557 ( -11.381 -0.830 3.594) 11.964 10.454 ( -0.322 3.824 -1.010) 3.968 11.347 ( 17.095 2.955 18.344) 25.248 11.632 ( 21.204 3.643 -22.900) 31.421 14.930 ( 5.464 0.233 5.369) 7.664 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -17.164 -2.344 -0.668) 17.336 2.064 ( -14.135 -0.081 -0.099) 14.135 2.848 ( -19.290 1.485 0.530) 19.354 3.171 ( -17.057 -3.088 -0.280) 17.337 4.201 ( 6.547 0.466 1.667) 6.772 4.373 ( -34.860 -4.995 -1.300) 35.240 8.033 ( -21.042 -1.854 0.300) 21.125 8.542 ( 5.059 0.802 2.245) 5.593 10.496 ( 2.922 1.181 -0.520) 3.194 11.577 ( 5.017 -0.010 9.135) 10.422 12.076 ( 30.732 3.184 -11.119) 32.836 15.037 ( 4.398 0.855 3.140) 5.471 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -20.404 -0.000 0.000) 20.404 1.788 ( -18.411 -0.000 0.000) 18.411 2.559 ( -15.046 -0.000 0.000) 15.046 2.819 ( -22.436 -0.000 0.000) 22.436 3.699 ( -39.610 -0.000 0.000) 39.610 4.298 ( 4.160 0.000 -0.000) 4.160 7.677 ( -18.937 -0.000 0.000) 18.937 8.706 ( 12.606 0.000 -0.000) 12.606 10.576 ( 5.850 0.000 -0.000) 5.850 11.616 ( -1.742 -0.000 0.000) 1.742 12.614 ( 31.558 0.000 -0.000) 31.558 15.100 ( 1.621 0.000 -0.000) 1.621 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.000 17.842 13.679) 22.483 1.644 ( 0.000 18.962 5.721) 19.806 2.382 ( 0.000 10.112 -2.080) 10.323 2.627 ( 0.000 26.318 3.845) 26.598 3.322 ( 0.000 38.879 -2.531) 38.961 4.308 ( -0.000 -2.087 -3.057) 3.702 7.536 ( 0.000 16.874 1.705) 16.960 8.859 ( -0.000 -12.706 3.074) 13.072 10.631 ( -0.000 -7.434 -1.422) 7.569 11.370 ( -0.000 5.554 -25.980) 26.567 12.970 ( -0.000 -31.259 13.044) 33.872 15.059 ( -0.000 3.769 -6.793) 7.768 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 1.859 16.197 11.030) 19.684 1.878 ( 5.074 14.606 4.589) 16.129 2.543 ( 6.438 13.070 -1.816) 14.682 2.915 ( 4.476 20.508 2.517) 21.142 3.755 ( 7.840 33.253 -4.771) 34.496 4.287 ( -0.175 1.945 -0.895) 2.148 7.758 ( 4.821 18.791 1.888) 19.492 8.730 ( -4.019 -8.611 3.388) 10.089 10.533 ( -1.792 -6.321 -1.781) 6.807 11.303 ( -0.833 -1.414 -27.062) 27.112 12.681 ( -3.508 -29.869 16.288) 34.202 15.055 ( -1.864 1.801 -6.355) 6.864 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 4.554 13.593 8.180) 16.505 2.113 ( 6.018 11.197 3.418) 13.164 2.838 ( 10.635 16.832 -1.236) 19.949 3.176 ( 5.254 14.114 0.058) 15.060 4.030 ( 2.312 3.961 -9.242) 10.317 4.482 ( 9.118 24.539 4.841) 26.622 8.073 ( 8.388 19.851 2.316) 21.675 8.581 ( -6.764 -2.889 0.664) 7.385 10.468 ( 0.801 -3.289 -1.434) 3.677 11.150 ( -2.450 -7.928 -25.044) 26.383 12.367 ( -6.231 -27.392 18.023) 33.376 14.984 ( -5.082 -0.144 -6.640) 8.363 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 6.356 10.161 6.668) 13.715 2.329 ( 5.843 10.734 2.130) 12.406 3.194 ( 9.309 19.209 -1.606) 21.406 3.365 ( 5.544 7.278 -3.879) 9.938 4.006 ( -1.033 -2.107 -3.322) 4.067 4.939 ( 12.769 22.563 2.969) 26.095 8.359 ( 0.698 8.503 0.601) 8.553 8.549 ( 4.232 14.293 -0.308) 14.910 10.488 ( 2.564 1.379 -0.441) 2.945 10.919 ( -4.427 -12.255 -21.187) 24.873 12.040 ( -8.366 -24.435 16.886) 30.857 14.849 ( -6.685 -1.894 -6.828) 9.742 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 6.589 6.748 5.986) 11.171 2.541 ( 5.212 12.039 0.990) 13.156 3.391 ( 1.803 2.819 -9.017) 9.618 3.577 ( 6.620 16.868 -2.610) 18.307 3.979 ( -0.321 0.233 4.039) 4.058 5.335 ( 11.416 13.709 1.825) 17.933 8.395 ( 1.333 5.474 -2.210) 6.051 8.878 ( 8.419 20.195 1.062) 21.905 10.553 ( -0.987 6.514 -0.466) 6.605 10.647 ( -4.472 -14.245 -15.229) 21.326 11.711 ( -9.519 -19.436 12.954) 25.223 14.696 ( -4.864 -4.083 -6.027) 8.756 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 5.096 6.202 4.670) 9.287 2.738 ( 4.045 10.745 0.725) 11.504 3.356 ( -0.477 -3.444 -12.008) 12.501 3.781 ( 0.569 10.728 0.309) 10.748 4.047 ( 0.704 9.869 5.087) 11.126 5.606 ( 9.179 4.813 1.252) 10.439 8.537 ( 8.586 7.179 -1.823) 11.340 9.179 ( 4.457 16.580 0.012) 17.169 10.376 ( -4.875 -11.928 -10.598) 16.684 10.572 ( -7.986 6.250 2.121) 10.360 11.448 ( -7.284 -8.876 6.941) 13.417 14.581 ( -0.358 -6.867 -3.997) 7.954 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 0.312 8.497 2.216) 8.787 2.879 ( 3.446 3.471 0.671) 4.936 3.277 ( -1.001 -0.605 -9.890) 9.959 3.837 ( 0.143 0.225 3.636) 3.646 4.174 ( -4.850 18.210 1.449) 18.901 5.757 ( 6.846 -2.375 0.968) 7.310 8.792 ( 13.108 5.337 -1.179) 14.202 9.326 ( -2.169 8.958 -1.145) 9.287 10.204 ( 0.431 -8.989 -4.965) 10.278 10.429 ( -16.139 8.657 3.463) 18.639 11.339 ( -4.702 2.853 1.255) 5.641 14.528 ( 4.341 -9.126 -1.235) 10.181 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -6.104 5.777 -1.414) 8.523 2.914 ( -0.596 -0.504 -0.855) 1.158 3.301 ( 4.211 4.787 -3.566) 7.305 3.830 ( 0.332 -4.415 3.753) 5.804 4.220 ( -11.595 18.621 -0.290) 21.938 5.802 ( 3.433 -6.577 0.733) 7.455 8.968 ( 3.573 -6.351 -1.833) 7.514 9.345 ( -0.989 7.902 1.809) 8.167 10.139 ( -0.302 -4.150 -5.155) 6.625 10.345 ( -6.634 16.055 5.953) 18.363 11.299 ( -5.592 5.667 -2.399) 8.315 14.538 ( 7.270 -9.305 1.453) 11.897 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -7.611 -0.712 -3.137) 8.263 2.857 ( -8.149 4.589 -1.123) 9.420 3.462 ( 9.359 3.427 0.548) 9.982 3.786 ( -1.225 -4.969 2.671) 5.773 4.139 ( -16.796 14.603 -1.182) 22.287 5.749 ( -1.962 -7.371 0.448) 7.640 8.811 ( -7.265 -10.560 0.344) 12.822 9.389 ( -7.098 4.659 2.912) 8.975 10.190 ( 10.232 4.889 -4.924) 12.363 10.486 ( 0.419 14.917 6.029) 16.095 11.241 ( -3.779 2.133 -5.128) 6.718 14.598 ( 8.261 -7.011 3.294) 11.324 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -8.238 -2.179 -2.635) 8.920 2.721 ( -12.297 4.085 -0.711) 12.977 3.664 ( 9.148 0.198 6.670) 11.323 3.708 ( -3.486 -1.182 -2.386) 4.387 3.934 ( -19.139 7.993 -2.378) 20.877 5.589 ( -9.493 -5.776 0.140) 11.112 8.597 ( -7.055 -7.171 2.244) 10.308 9.202 ( -17.428 1.465 1.572) 17.560 10.482 ( 11.381 7.828 -3.392) 14.223 10.653 ( 5.948 9.308 6.382) 12.757 11.223 ( 4.766 -1.470 -7.042) 8.629 14.698 ( 8.233 -3.493 3.724) 9.688 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -9.809 -1.563 -1.355) 10.024 2.523 ( -13.693 1.664 -0.236) 13.796 3.560 ( -15.466 3.160 2.826) 16.037 3.622 ( -14.788 -1.738 -0.914) 14.918 3.891 ( 10.588 0.976 -0.778) 10.661 5.305 ( -18.649 -3.284 -0.080) 18.936 8.457 ( -4.528 -2.757 1.924) 5.640 8.875 ( -21.244 0.095 0.776) 21.259 10.544 ( -5.101 4.410 -0.515) 6.763 11.038 ( 24.960 3.509 6.449) 26.018 11.331 ( 10.924 -1.148 -8.683) 14.002 14.826 ( 7.738 -0.738 2.535) 8.176 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -13.190 -0.000 0.000) 13.190 2.297 ( -13.490 -0.000 0.000) 13.490 3.220 ( -22.441 -0.000 0.000) 22.441 3.409 ( -12.530 -0.000 0.000) 12.530 4.068 ( 9.312 0.000 -0.000) 9.312 4.889 ( -27.914 -0.000 0.000) 27.914 8.346 ( -12.113 -0.000 0.000) 12.113 8.560 ( -10.507 -0.000 0.000) 10.507 10.494 ( -1.968 -0.000 0.000) 1.968 11.475 ( 8.734 0.000 -0.000) 8.734 11.549 ( 29.884 0.000 -0.000) 29.884 14.951 ( 6.521 0.000 -0.000) 6.521 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.000 14.030 10.567) 17.565 1.975 ( 0.000 11.889 3.385) 12.361 2.606 ( 0.000 13.506 -1.721) 13.616 3.087 ( 0.000 19.231 1.272) 19.273 3.950 ( 0.000 18.141 -8.651) 20.099 4.364 ( 0.000 16.603 3.252) 16.918 7.910 ( 0.000 19.581 1.345) 19.627 8.713 ( -0.000 -4.271 4.456) 6.173 10.480 ( -0.000 -6.635 -1.172) 6.737 11.177 ( -0.000 -7.784 -29.503) 30.512 12.468 ( -0.000 -28.779 17.137) 33.495 15.074 ( -0.000 1.744 -4.917) 5.217 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 1.324 11.912 8.135) 14.485 2.129 ( 4.439 8.962 2.946) 10.426 2.815 ( 8.576 14.724 -1.169) 17.079 3.268 ( 1.048 14.387 -1.810) 14.538 4.013 ( 0.335 1.560 -7.484) 7.653 4.652 ( 3.885 29.166 4.183) 29.719 8.155 ( 5.445 19.698 1.316) 20.479 8.668 ( -4.207 0.320 2.582) 4.946 10.416 ( 0.162 -4.409 -1.028) 4.530 10.989 ( 0.174 -12.863 -26.823) 29.748 12.222 ( -2.625 -27.022 16.556) 31.799 15.046 ( -3.457 0.920 -4.423) 5.689 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 3.244 9.404 6.827) 12.066 2.316 ( 6.937 8.014 1.988) 10.785 3.162 ( 13.880 16.015 -0.917) 21.213 3.373 ( 0.198 6.918 -6.755) 9.671 3.998 ( -0.416 -0.045 -1.668) 1.720 5.028 ( 6.093 25.448 2.929) 26.330 8.448 ( 3.433 14.180 1.681) 14.686 8.635 ( -0.544 9.873 -0.229) 9.891 10.421 ( 4.193 -0.956 -0.643) 4.349 10.773 ( -0.990 -14.525 -21.500) 25.965 11.948 ( -4.706 -25.302 14.403) 29.492 14.943 ( -7.287 -0.329 -4.675) 8.664 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 4.567 6.532 6.303) 10.161 2.536 ( 8.200 9.183 0.926) 12.346 3.370 ( -1.072 0.132 -10.542) 10.597 3.565 ( 13.640 16.622 -1.573) 21.559 4.002 ( -0.101 1.481 4.120) 4.379 5.349 ( 5.474 17.207 1.880) 18.155 8.482 ( -4.155 7.133 -0.759) 8.290 8.926 ( 9.765 19.298 1.598) 21.687 10.487 ( 2.324 -10.173 -9.166) 13.889 10.586 ( 1.757 -0.283 -7.691) 7.894 11.661 ( -5.455 -22.511 11.492) 25.857 14.772 ( -9.211 -2.140 -4.970) 10.683 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 5.641 4.729 5.584) 9.239 2.766 ( 6.748 10.242 0.097) 12.265 3.295 ( -1.111 -3.712 -11.136) 11.791 3.849 ( 1.722 8.040 0.100) 8.223 4.113 ( 7.236 11.221 4.503) 14.091 5.554 ( 3.677 7.548 1.184) 8.479 8.532 ( 1.382 8.922 0.060) 9.029 9.252 ( 6.314 15.980 1.443) 17.242 10.275 ( -3.049 -14.397 -11.720) 18.813 10.720 ( 2.145 10.128 -0.497) 10.365 11.419 ( -2.426 -16.311 8.148) 18.393 14.575 ( -7.597 -4.820 -4.553) 10.084 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 6.403 3.889 4.643) 8.813 2.926 ( -0.002 7.486 -1.465) 7.628 3.231 ( 2.006 -1.074 -9.337) 9.610 3.853 ( -2.830 -1.613 3.965) 5.132 4.401 ( 3.925 20.347 0.931) 20.743 5.637 ( 3.167 -2.218 0.881) 3.966 8.696 ( 6.524 8.741 1.435) 11.002 9.432 ( -0.285 8.719 0.011) 8.724 10.079 ( -0.346 -11.908 -7.460) 14.056 10.765 ( -9.432 11.404 1.643) 14.890 11.354 ( 3.765 -3.869 3.162) 6.256 14.411 ( -2.380 -7.769 -2.966) 8.650 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 4.778 0.708 1.736) 5.132 2.888 ( -5.015 3.110 -1.866) 6.189 3.299 ( 2.976 7.407 -6.347) 10.198 3.782 ( -1.541 -6.846 4.959) 8.593 4.597 ( -6.716 22.365 -0.254) 23.353 5.645 ( 4.895 -9.398 0.810) 10.627 8.874 ( 4.328 2.737 0.897) 5.198 9.445 ( -2.925 4.858 0.569) 5.699 9.997 ( 4.297 -9.010 -4.825) 11.087 10.712 ( -11.258 15.620 3.935) 19.652 11.397 ( -0.705 2.304 -1.423) 2.799 14.339 ( 4.373 -8.875 -0.542) 9.908 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -7.180 -1.855 -2.991) 7.996 2.993 ( 0.055 5.118 1.741) 5.406 3.395 ( 2.160 6.748 -4.190) 8.231 3.718 ( 1.666 -8.267 4.310) 9.471 4.590 ( -16.765 17.167 -0.599) 24.002 5.640 ( 5.110 -9.357 0.602) 10.679 8.839 ( -5.650 -4.987 -0.473) 7.550 9.502 ( -0.070 5.957 2.993) 6.667 10.013 ( 8.491 -4.667 -4.099) 10.521 10.743 ( -6.241 18.007 5.420) 19.814 11.328 ( -6.944 -0.994 -4.641) 8.411 14.382 ( 9.169 -6.679 1.348) 11.424 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -7.781 -1.216 -1.543) 8.025 2.955 ( -9.671 3.535 0.021) 10.296 3.514 ( 8.178 1.761 -0.723) 8.397 3.698 ( 1.204 -3.786 1.742) 4.338 4.375 ( -21.792 7.599 -0.465) 23.084 5.622 ( -0.217 -4.354 0.232) 4.366 8.668 ( -7.606 -3.862 0.223) 8.533 9.460 ( -10.211 1.342 1.243) 10.374 10.215 ( 17.473 0.831 -1.618) 17.568 10.857 ( -4.454 16.245 6.566) 18.079 11.146 ( -4.577 -8.120 -6.834) 11.558 14.511 ( 10.506 -2.855 1.517) 10.993 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -8.423 -0.000 0.000) 8.423 2.767 ( -13.393 -0.000 0.000) 13.393 3.672 ( -2.895 -0.000 0.000) 2.895 3.691 ( 10.902 0.000 -0.000) 10.902 4.022 ( -23.039 -0.000 0.000) 23.039 5.526 ( -9.080 -0.000 0.000) 9.080 8.531 ( -5.998 -0.000 0.000) 5.998 9.220 ( -18.011 -0.000 0.000) 18.011 10.541 ( 16.383 0.000 -0.000) 16.383 10.826 ( -4.943 -0.000 0.000) 4.943 11.139 ( 8.893 0.000 -0.000) 8.893 14.675 ( 9.611 0.000 -0.000) 9.611 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 7.079 1.226) 7.184 2.191 ( 0.000 9.648 7.911) 12.477 2.870 ( 0.000 13.471 -1.020) 13.510 3.377 ( 0.000 10.145 -5.751) 11.662 4.003 ( -0.000 0.959 -3.539) 3.667 4.926 ( 0.000 29.404 3.552) 29.617 8.292 ( 0.000 18.014 -0.139) 18.014 8.735 ( 0.000 3.954 1.723) 4.313 10.374 ( -0.000 -3.397 0.007) 3.397 10.754 ( -0.000 -16.620 -24.529) 29.629 12.031 ( -0.000 -25.924 14.168) 29.543 15.080 ( -0.000 1.484 -2.942) 3.296 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 4.856 6.174 0.545) 7.874 2.307 ( 1.182 7.298 6.812) 10.053 3.084 ( 10.012 12.707 -0.816) 16.198 3.412 ( -0.844 3.289 -10.356) 10.898 4.017 ( -0.319 2.991 1.526) 3.373 5.226 ( 1.789 25.351 2.791) 25.567 8.513 ( 5.753 15.420 -0.360) 16.462 8.755 ( -3.142 7.282 -1.611) 8.093 10.357 ( 1.145 -1.642 0.109) 2.004 10.544 ( 2.263 -15.837 -17.835) 23.959 11.799 ( -2.221 -24.847 11.093) 27.301 15.045 ( -4.910 1.230 -2.552) 5.669 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 2.469 5.529 5.904) 8.457 2.460 ( 8.979 5.965 0.289) 10.784 3.348 ( -0.159 -1.229 -10.967) 11.037 3.449 ( 14.775 12.189 -1.846) 19.243 4.048 ( -1.189 3.436 4.460) 5.754 5.482 ( 1.267 18.888 1.985) 19.034 8.639 ( -4.715 8.022 -2.091) 9.537 8.921 ( 10.842 15.286 -0.958) 18.765 10.315 ( 0.965 -12.490 -8.862) 15.345 10.484 ( 6.173 -0.304 -2.988) 6.865 11.544 ( -3.336 -22.370 8.184) 24.052 14.918 ( -9.730 0.176 -2.916) 10.159 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 3.940 3.951 5.137) 7.585 2.694 ( 10.868 6.492 -0.031) 12.659 3.256 ( -2.187 -3.728 -10.453) 11.311 3.845 ( 13.069 12.422 -1.790) 18.119 4.081 ( 2.505 2.581 5.679) 6.722 5.637 ( -1.369 11.177 1.283) 11.333 8.639 ( -2.790 8.809 -1.196) 9.318 9.266 ( 10.427 13.801 0.319) 17.300 10.149 ( -2.089 -12.422 -8.509) 15.201 10.663 ( 11.751 4.399 -0.612) 12.562 11.314 ( -2.735 -17.179 6.201) 18.467 14.708 ( -12.455 -1.675 -3.340) 13.004 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 5.350 2.717 4.015) 7.220 2.935 ( 8.273 6.762 -0.208) 10.687 3.158 ( -0.543 -3.477 -8.382) 9.091 3.935 ( -5.257 1.530 2.429) 5.990 4.384 ( 17.179 12.230 1.140) 21.118 5.656 ( -4.740 2.655 0.783) 5.489 8.726 ( 2.099 9.553 1.479) 9.892 9.497 ( 3.242 8.157 -0.059) 8.777 9.962 ( -2.951 -11.101 -6.464) 13.180 10.920 ( 7.449 9.590 -1.594) 12.247 11.188 ( 4.330 -10.616 5.482) 12.709 14.461 ( -11.249 -4.047 -3.081) 12.345 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 6.204 1.369 2.373) 6.783 2.979 ( -4.489 0.243 -2.400) 5.096 3.242 ( 9.659 4.958 -4.197) 11.640 3.823 ( -7.442 -2.999 3.258) 8.660 4.783 ( 11.156 16.954 -0.061) 20.295 5.542 ( -5.531 -7.138 0.615) 9.051 8.873 ( 2.958 7.001 2.583) 8.027 9.544 ( -3.174 4.022 -0.349) 5.135 9.825 ( 1.948 -9.957 -4.680) 11.173 10.997 ( -5.927 9.561 1.967) 11.420 11.321 ( 10.972 -1.044 0.459) 11.031 14.260 ( -4.920 -5.517 -1.741) 7.594 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( -4.442 -1.226 -1.440) 4.828 2.968 ( 4.808 1.769 1.234) 5.270 3.437 ( 6.030 8.342 -4.646) 11.293 3.658 ( -6.299 -7.608 4.321) 10.781 5.011 ( -10.175 18.689 -0.541) 21.287 5.409 ( 7.099 -14.108 0.657) 15.807 8.908 ( -4.458 0.450 0.595) 4.520 9.559 ( 0.076 5.385 2.035) 5.757 9.804 ( 7.101 -6.985 -3.568) 10.581 10.997 ( -5.251 8.739 2.830) 10.581 11.399 ( -1.867 -0.576 -2.025) 2.814 14.203 ( 4.356 -3.873 -0.136) 5.830 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -7.093 -0.000 0.000) 7.093 3.055 ( 1.289 0.000 -0.000) 1.289 3.481 ( -4.083 -0.000 0.000) 4.083 3.614 ( 6.017 0.000 -0.000) 6.017 4.788 ( -21.253 -0.000 0.000) 21.253 5.522 ( 8.777 0.000 -0.000) 8.777 8.786 ( -8.151 -0.000 0.000) 8.151 9.580 ( -2.846 -0.000 0.000) 2.846 9.943 ( 13.493 0.000 -0.000) 13.493 10.998 ( -1.223 -0.000 0.000) 1.223 11.252 ( -12.156 -0.000 0.000) 12.156 14.316 ( 10.107 0.000 -0.000) 10.107 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 0.000 4.415 0.054) 4.415 2.383 ( 0.000 5.844 5.622) 8.109 3.105 ( 0.000 10.615 -0.609) 10.633 3.391 ( -0.000 -1.516 -12.607) 12.698 4.073 ( 0.000 5.340 3.872) 6.596 5.458 ( 0.000 22.231 2.366) 22.357 8.587 ( 0.000 12.160 -2.116) 12.343 8.844 ( 0.000 6.711 -5.651) 8.773 10.313 ( -0.000 -14.859 -11.060) 18.523 10.358 ( 0.000 1.323 1.682) 2.140 11.602 ( -0.000 -24.326 7.560) 25.473 15.101 ( 0.000 1.958 -1.350) 2.378 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 5.845 3.683 -0.041) 6.909 2.456 ( 0.994 4.350 4.581) 6.395 3.280 ( 6.183 4.888 -4.242) 8.951 3.334 ( 4.064 0.420 -8.235) 9.193 4.129 ( -1.318 5.005 4.327) 6.746 5.661 ( -0.117 17.239 1.765) 17.329 8.734 ( 2.923 8.072 -3.182) 9.155 8.885 ( 3.537 7.222 -7.655) 11.103 10.171 ( 0.147 -9.750 -3.389) 10.323 10.409 ( 2.755 2.123 1.383) 3.743 11.380 ( -0.801 -22.047 4.516) 22.519 15.063 ( -6.240 1.658 -1.183) 6.564 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 2.934 2.753 4.557) 6.079 2.554 ( 9.963 3.770 -0.827) 10.684 3.221 ( -1.410 -3.720 -9.229) 10.050 3.646 ( 18.716 8.076 -0.939) 20.405 4.143 ( -3.118 2.855 4.005) 5.824 5.791 ( -2.186 11.432 1.212) 11.702 8.756 ( -2.768 5.702 -5.136) 8.158 9.146 ( 15.633 7.979 -3.063) 17.817 10.082 ( -2.287 -4.845 -0.680) 5.401 10.497 ( 6.893 -1.242 0.836) 7.054 11.196 ( 0.204 -15.009 2.658) 15.244 14.913 ( -12.026 0.563 -1.556) 12.139 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 3.752 1.848 2.942) 5.113 2.790 ( 12.949 3.331 -0.241) 13.373 3.135 ( -2.164 -2.835 -6.141) 7.101 4.029 ( 6.284 7.195 -1.445) 9.661 4.146 ( 10.823 0.750 3.690) 11.459 5.807 ( -6.291 5.503 0.716) 8.389 8.785 ( 0.917 6.185 -1.601) 6.454 9.442 ( 10.763 4.093 -1.749) 11.648 9.968 ( -7.208 -2.383 -0.870) 7.642 10.666 ( 17.652 -4.406 -0.286) 18.196 11.120 ( 0.822 -4.291 2.315) 4.944 14.668 ( -15.383 -0.864 -1.734) 15.505 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 5.085 0.808 1.411) 5.338 3.025 ( 3.664 2.085 0.922) 4.316 3.074 ( 6.358 -0.986 -4.117) 7.638 3.961 ( -8.558 0.248 1.140) 8.638 4.562 ( 23.740 4.795 0.161) 24.220 5.685 ( -11.469 0.382 0.311) 11.479 8.887 ( 3.758 4.775 0.989) 6.156 9.572 ( 3.801 0.682 -1.316) 4.080 9.792 ( -8.640 -3.344 -1.184) 9.340 10.999 ( 22.175 -0.664 -1.241) 22.220 11.124 ( -0.368 1.012 2.479) 2.703 14.390 ( -14.059 -1.617 -1.135) 14.198 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 5.092 0.000 -0.000) 5.092 2.970 ( -3.716 -0.000 0.000) 3.716 3.290 ( 12.435 0.000 -0.000) 12.435 3.798 ( -10.358 -0.000 0.000) 10.358 4.985 ( 21.567 0.000 -0.000) 21.567 5.440 ( -16.377 -0.000 0.000) 16.377 8.959 ( 0.365 0.000 -0.000) 0.365 9.638 ( -5.241 -0.000 0.000) 5.241 9.645 ( 4.896 0.000 -0.000) 4.896 11.109 ( -2.896 -0.000 0.000) 2.896 11.310 ( 12.415 0.000 -0.000) 12.415 14.196 ( -6.160 -0.000 0.000) 6.160 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 0.000 2.497 -0.307) 2.516 2.496 ( 0.000 3.016 3.403) 4.547 3.248 ( -0.000 -4.378 -10.190) 11.091 3.273 ( 0.000 6.637 -0.346) 6.646 4.202 ( 0.000 4.547 3.577) 5.786 5.820 ( 0.000 13.339 1.257) 13.398 8.744 ( 0.000 5.648 -2.703) 6.262 8.875 ( -0.000 1.657 -12.435) 12.545 10.111 ( 0.000 -2.859 3.749) 4.714 10.429 ( 0.000 3.845 2.219) 4.439 11.177 ( -0.000 -20.964 1.403) 21.011 15.136 ( 0.000 1.912 -0.412) 1.956 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 6.446 1.787 -0.160) 6.691 2.538 ( 1.120 1.955 2.339) 3.248 3.177 ( -0.495 -3.302 -7.053) 7.804 3.432 ( 11.922 4.534 -0.362) 12.760 4.231 ( -2.175 2.874 2.552) 4.416 5.923 ( -1.144 8.577 0.793) 8.690 8.802 ( -0.377 2.288 -6.374) 6.782 8.925 ( 12.019 1.835 -5.301) 13.263 10.119 ( -1.248 2.874 5.711) 6.514 10.448 ( -1.810 -0.641 0.855) 2.102 11.021 ( 3.484 -14.198 -0.103) 14.619 15.089 ( -7.207 1.251 -0.402) 7.326 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 3.077 0.760 2.432) 3.995 2.598 ( 10.688 1.346 -1.176) 10.836 3.125 ( -0.966 -1.651 -3.423) 3.921 3.750 ( 20.503 2.794 -0.360) 20.696 4.198 ( -4.642 0.935 1.465) 4.956 5.946 ( -3.856 3.818 0.406) 5.442 8.799 ( 0.702 1.696 -3.197) 3.687 9.210 ( 17.687 1.225 -1.636) 17.805 10.129 ( -7.452 6.511 3.645) 10.546 10.387 ( 5.442 -8.700 -1.247) 10.337 11.028 ( 5.938 -3.325 0.360) 6.815 14.916 ( -13.444 0.306 -0.486) 13.457 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 3.671 0.000 -0.000) 3.671 2.822 ( 13.854 0.000 -0.000) 13.854 3.086 ( -2.147 -0.000 0.000) 2.147 4.102 ( -7.088 -0.000 0.000) 7.088 4.158 ( 24.807 0.000 -0.000) 24.807 5.863 ( -8.073 -0.000 0.000) 8.073 8.843 ( 3.472 0.000 -0.000) 3.472 9.458 ( 10.052 0.000 -0.000) 10.052 9.971 ( -12.301 -0.000 0.000) 12.301 10.589 ( 21.385 0.000 -0.000) 21.385 11.104 ( 3.603 0.000 -0.000) 3.603 14.654 ( -16.585 -0.000 0.000) 16.585 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 0.000 0.812 -0.162) 0.828 2.548 ( 0.000 0.920 1.139) 1.464 3.137 ( -0.000 -1.990 -3.792) 4.283 3.359 ( 0.000 2.248 -0.114) 2.251 4.279 ( 0.000 1.587 1.273) 2.034 5.999 ( 0.000 4.388 0.349) 4.402 8.798 ( 0.000 1.469 -1.189) 1.889 8.808 ( -0.000 -0.857 -6.183) 6.242 10.183 ( 0.000 4.022 4.975) 6.398 10.503 ( 0.000 1.949 0.978) 2.181 10.839 ( -0.000 -11.091 -1.573) 11.202 15.163 ( 0.000 0.809 -0.060) 0.812 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 6.664 0.000 -0.000) 6.664 2.564 ( 1.185 0.000 -0.000) 1.185 3.120 ( -0.198 -0.000 0.000) 0.198 3.476 ( 12.097 0.000 -0.000) 12.097 4.267 ( -2.476 -0.000 0.000) 2.476 6.010 ( -1.430 -0.000 0.000) 1.430 8.793 ( 0.043 0.000 -0.000) 0.043 8.926 ( 13.598 0.000 -0.000) 13.598 10.232 ( 2.374 0.000 -0.000) 2.374 10.391 ( -11.123 -0.000 0.000) 11.123 10.878 ( 8.451 0.000 -0.000) 8.451 15.101 ( -7.563 -0.000 0.000) 7.563 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( 0.000 -0.000 22.571) 22.571 0.206 ( 0.000 -0.000 22.571) 22.571 0.436 ( 0.000 -0.000 47.766) 47.766 2.110 ( -0.000 0.000 -1.362) 1.362 2.110 ( -0.000 0.000 -1.362) 1.362 5.196 ( -0.000 0.000 -4.603) 4.603 7.007 ( 0.000 -0.000 1.030) 1.030 7.007 ( 0.000 -0.000 1.030) 1.030 10.912 ( -0.000 0.000 -0.567) 0.567 10.912 ( -0.000 0.000 -0.567) 0.567 14.271 ( 0.000 -0.000 0.423) 0.423 14.455 ( -0.000 0.000 -0.212) 0.212 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 21.980 12.690 7.048) 26.340 0.623 ( 13.511 7.801 24.284) 28.864 1.142 ( 39.867 23.018 16.762) 48.992 2.135 ( 2.657 1.534 -1.904) 3.610 2.259 ( 12.237 7.065 -1.832) 14.248 4.458 ( -7.788 -4.497 8.520) 12.388 7.068 ( 5.009 2.892 1.302) 5.928 9.303 ( 25.935 14.974 -50.835) 59.000 10.844 ( 6.657 3.844 -22.584) 23.856 10.878 ( -2.833 -1.636 -0.560) 3.319 14.053 ( -17.384 -10.037 6.627) 21.139 14.782 ( 13.847 7.994 -13.826) 21.137 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 15.295 8.830 15.745) 23.660 1.111 ( 21.493 12.409 3.531) 25.068 2.048 ( 33.724 19.470 10.785) 40.406 2.220 ( 5.443 3.142 -2.321) 6.699 2.664 ( 24.582 14.193 -1.695) 28.436 4.366 ( -2.943 -1.699 -1.309) 3.642 7.241 ( 9.743 5.625 1.226) 11.317 9.206 ( -15.525 -8.963 -1.121) 17.961 10.785 ( -4.997 -2.885 -0.475) 5.790 11.055 ( 15.592 9.002 -33.584) 38.105 13.628 ( -21.788 -12.580 12.618) 28.146 14.955 ( 5.080 2.933 -10.554) 12.075 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 15.950 9.208 9.589) 20.764 1.570 ( 17.660 10.196 2.392) 20.532 2.371 ( 8.569 4.948 -2.441) 10.192 2.684 ( 21.027 12.140 6.419) 25.114 3.362 ( 34.657 20.009 -0.848) 40.028 4.296 ( -2.562 -1.479 -3.594) 4.655 7.513 ( 13.757 7.942 0.686) 15.900 8.816 ( -16.759 -9.676 0.591) 19.360 10.658 ( -5.897 -3.404 -0.222) 6.812 11.253 ( 9.073 5.238 -27.778) 29.688 13.159 ( -23.322 -13.465 18.553) 32.702 14.968 ( -0.563 -0.325 -10.976) 10.995 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 15.696 9.062 6.248) 19.171 1.915 ( 12.127 7.001 1.478) 14.080 2.594 ( 11.437 6.603 -1.981) 13.354 3.105 ( 15.271 8.817 2.996) 17.887 4.047 ( 16.052 9.268 -9.500) 20.828 4.309 ( 13.192 7.617 5.069) 16.054 7.858 ( 16.173 9.337 -0.263) 18.676 8.502 ( -9.707 -5.604 -3.537) 11.753 10.527 ( -5.348 -3.088 0.278) 6.181 11.278 ( -0.187 -0.108 -23.261) 23.262 12.683 ( -24.091 -13.909 22.289) 35.646 14.891 ( -2.531 -1.461 -11.074) 11.453 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 7.756 4.478 0.582) 8.975 2.154 ( 14.489 8.365 5.111) 17.493 2.859 ( 11.712 6.762 -1.218) 13.578 3.398 ( 10.115 5.840 -2.208) 11.886 4.052 ( -3.192 -1.843 -4.883) 6.118 4.882 ( 25.468 14.704 3.410) 29.605 8.227 ( 16.072 9.279 -1.417) 18.613 8.376 ( 0.317 0.183 -6.965) 6.974 10.426 ( -3.594 -2.075 1.026) 4.275 11.116 ( -7.911 -4.568 -18.695) 20.807 12.187 ( -25.529 -14.739 20.488) 35.898 14.816 ( -1.012 -0.584 -8.803) 8.880 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 5.046 2.913 0.033) 5.827 2.479 ( 12.714 7.340 5.091) 15.538 3.099 ( 9.407 5.431 -0.666) 10.882 3.527 ( 2.324 1.342 -10.899) 11.224 3.985 ( -1.509 -0.871 3.709) 4.098 5.396 ( 18.821 10.866 1.939) 21.819 8.475 ( 10.249 5.917 -8.648) 14.657 8.559 ( 13.219 7.632 -2.393) 15.450 10.373 ( -1.398 -0.807 1.809) 2.425 10.831 ( -12.755 -7.364 -11.587) 18.740 11.650 ( -25.568 -14.761 13.340) 32.397 14.800 ( 1.329 0.767 -4.923) 5.157 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 2.969 1.714 -0.216) 3.435 2.763 ( 10.878 6.281 5.108) 13.560 3.274 ( 5.936 3.427 -0.343) 6.863 3.444 ( -5.138 -2.966 -13.465) 14.714 4.011 ( 1.530 0.883 6.067) 6.319 5.746 ( 11.567 6.678 1.190) 13.409 8.774 ( 18.070 10.433 -9.153) 22.785 8.801 ( 8.544 4.933 -2.659) 10.217 10.366 ( 0.006 0.004 2.153) 2.153 10.457 ( -19.029 -10.986 -1.274) 22.009 11.165 ( -17.597 -10.159 3.806) 20.672 14.833 ( 2.135 1.233 -1.352) 2.812 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 1.022 0.590 -0.291) 1.215 2.978 ( 4.751 2.743 2.089) 5.870 3.291 ( -2.403 -1.387 -8.377) 8.825 3.364 ( 2.060 1.189 -0.137) 2.382 4.051 ( 0.088 0.051 3.734) 3.735 5.925 ( 3.838 2.216 0.762) 4.497 8.929 ( 3.400 1.963 -1.915) 4.368 9.216 ( 22.207 12.821 -9.546) 27.362 9.967 ( -23.010 -13.285 6.175) 27.277 10.373 ( -0.177 -0.102 1.698) 1.710 10.919 ( -4.662 -2.692 -0.724) 5.432 14.875 ( 1.274 0.736 1.283) 1.952 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -0.928 -0.536 -0.265) 1.104 2.895 ( -8.305 -4.795 -6.564) 11.621 3.366 ( -1.901 -1.098 0.032) 2.195 3.400 ( 9.681 5.589 2.612) 11.479 4.025 ( -3.148 -1.817 1.327) 3.870 5.923 ( -4.243 -2.450 0.496) 4.925 8.944 ( -1.897 -1.095 -0.453) 2.237 9.356 ( -18.059 -10.427 4.766) 21.391 9.851 ( 21.920 12.656 -5.683) 25.941 10.363 ( -1.024 -0.591 0.597) 1.325 10.924 ( 4.712 2.720 -0.082) 5.441 14.895 ( -0.068 -0.039 3.402) 3.403 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -2.926 -1.689 -0.172) 3.383 2.658 ( -10.299 -5.946 -6.238) 13.429 3.279 ( -5.731 -3.309 0.214) 6.622 3.643 ( 9.460 5.461 6.460) 12.690 3.919 ( -5.620 -3.244 -2.404) 6.920 5.737 ( -12.113 -6.993 0.266) 13.989 8.836 ( -7.725 -4.460 1.019) 8.979 8.945 ( -17.483 -10.094 9.094) 22.141 10.340 ( -0.647 -0.373 -0.593) 0.953 10.412 ( 26.543 15.325 -6.773) 31.389 11.109 ( 11.216 6.475 -1.544) 13.043 14.899 ( -0.499 -0.288 5.480) 5.510 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -5.117 -2.954 -0.011) 5.909 2.392 ( -11.818 -6.823 -4.343) 14.321 3.110 ( -9.100 -5.254 0.439) 10.517 3.689 ( -9.604 -5.545 5.903) 12.563 3.920 ( 8.787 5.073 -2.746) 10.511 5.376 ( -19.689 -11.368 -0.090) 22.735 8.599 ( -13.319 -7.690 1.781) 15.482 8.647 ( -10.932 -6.312 9.741) 15.945 10.344 ( 1.472 0.850 -1.267) 2.120 10.983 ( 23.915 13.807 1.667) 27.665 11.396 ( 15.095 8.715 -10.850) 20.531 14.917 ( 0.621 0.358 7.343) 7.378 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -13.993 -8.079 -1.855) 16.264 2.137 ( -7.992 -4.614 0.290) 9.233 2.877 ( -11.278 -6.512 0.670) 13.040 3.425 ( -13.865 -8.005 1.087) 16.047 4.109 ( 7.315 4.223 0.722) 8.478 4.842 ( -27.129 -15.663 -0.532) 31.331 8.257 ( -16.755 -9.673 1.694) 19.421 8.518 ( -2.596 -1.499 8.181) 8.713 10.403 ( 4.050 2.338 -1.314) 4.858 11.449 ( 12.005 6.931 17.661) 22.452 11.754 ( 23.338 13.474 -26.455) 37.764 14.975 ( 2.313 1.336 7.940) 8.377 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -16.443 -9.494 0.747) 19.002 1.911 ( -12.439 -7.182 0.965) 14.396 2.619 ( -11.041 -6.375 0.707) 12.769 3.069 ( -17.624 -10.175 -0.767) 20.365 4.147 ( -32.808 -18.941 -2.503) 37.966 4.250 ( 4.199 2.424 2.444) 5.430 7.872 ( -16.992 -9.810 1.174) 19.656 8.581 ( 6.264 3.617 4.866) 8.718 10.514 ( 5.838 3.370 -1.065) 6.825 11.625 ( 1.115 0.644 10.210) 10.291 12.291 ( 27.970 16.148 -16.180) 36.123 15.056 ( 2.417 1.395 6.304) 6.894 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -18.519 -10.692 3.381) 21.649 1.569 ( -17.971 -10.375 2.254) 20.873 2.397 ( -8.439 -4.872 0.361) 9.752 2.606 ( -23.466 -13.548 -1.685) 27.149 3.358 ( -34.421 -19.873 -1.222) 39.764 4.332 ( 2.533 1.462 0.349) 2.945 7.513 ( -14.413 -8.321 0.682) 16.656 8.822 ( 13.756 7.942 1.150) 15.926 10.652 ( 6.277 3.624 -0.804) 7.293 11.593 ( -5.665 -3.271 4.988) 8.226 12.891 ( 27.436 15.840 -7.057) 32.457 15.100 ( -0.254 -0.146 2.716) 2.732 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -19.581 -11.305 7.675) 23.878 1.118 ( -22.178 -12.804 4.225) 25.955 1.935 ( -35.833 -20.688 -1.099) 41.391 2.240 ( -5.471 -3.159 -0.186) 6.320 2.670 ( -24.018 -13.867 -0.927) 27.749 4.373 ( 1.276 0.736 -0.151) 1.481 7.234 ( -10.097 -5.830 0.495) 11.670 9.190 ( 18.063 10.429 -2.881) 21.055 10.784 ( 5.256 3.035 -0.638) 6.103 11.403 ( -11.553 -6.670 -1.291) 13.402 13.480 ( 25.095 14.488 -0.625) 28.984 15.044 ( -4.940 -2.852 -2.157) 6.099 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 24.623 12.937) 27.815 0.736 ( 0.000 18.941 22.573) 29.467 1.128 ( 0.000 40.797 19.603) 45.262 2.132 ( 0.000 3.227 -2.173) 3.890 2.246 ( 0.000 13.897 -2.604) 14.139 4.482 ( -0.000 -12.020 8.210) 14.557 7.073 ( 0.000 5.863 1.586) 6.074 9.083 ( -0.000 41.378 -54.090) 68.102 10.870 ( -0.000 -3.560 -1.064) 3.715 10.885 ( -0.000 10.514 -18.037) 20.878 14.054 ( -0.000 -21.625 6.288) 22.520 14.727 ( 0.000 16.350 -13.341) 21.102 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 5.411 16.865 19.662) 26.463 1.071 ( 8.363 22.936 9.500) 26.197 1.826 ( 23.980 33.401 12.625) 43.012 2.189 ( 2.744 5.343 -2.605) 6.547 2.509 ( 12.251 20.051 -2.670) 23.649 4.385 ( -2.419 -4.298 -0.420) 4.950 7.192 ( 4.848 8.747 1.760) 10.154 9.223 ( 0.637 -7.022 -10.075) 12.298 10.769 ( -3.039 -3.251 -6.047) 7.508 10.980 ( 2.185 17.460 -26.578) 31.875 13.757 ( -9.835 -23.450 10.449) 27.492 14.884 ( 4.925 8.545 -11.818) 15.393 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 9.527 13.993 15.058) 22.656 1.479 ( 11.345 19.378 4.872) 22.978 2.316 ( 5.372 8.449 -2.819) 10.401 2.504 ( 19.589 19.055 8.130) 28.512 3.065 ( 25.789 27.213 -1.631) 37.527 4.307 ( -2.202 -2.298 -4.096) 5.187 7.417 ( 9.146 11.481 1.599) 14.765 8.969 ( -12.846 -13.992 1.801) 19.080 10.670 ( -2.028 -6.028 -2.645) 6.888 11.122 ( 5.168 13.054 -29.350) 32.535 13.359 ( -14.319 -22.530 15.783) 31.012 14.950 ( 0.229 3.088 -11.387) 11.800 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 11.607 12.510 9.759) 19.658 1.838 ( 9.576 13.873 3.203) 17.159 2.523 ( 7.756 12.181 -2.441) 14.646 2.958 ( 14.807 11.942 4.330) 19.510 3.789 ( 25.936 22.118 -4.678) 34.406 4.261 ( 1.218 1.468 -1.118) 2.211 7.731 ( 12.238 13.703 1.016) 18.401 8.621 ( -12.792 -9.161 -0.781) 15.754 10.566 ( -3.182 -4.642 -0.707) 5.672 11.189 ( 2.369 3.015 -25.524) 25.810 12.931 ( -16.996 -21.145 19.975) 33.689 14.899 ( -3.234 0.325 -11.482) 11.933 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 12.484 10.755 6.704) 17.790 2.095 ( 6.257 9.749 1.776) 11.720 2.792 ( 8.487 14.508 -1.611) 16.885 3.281 ( 10.727 7.504 0.075) 13.092 4.044 ( 0.370 -0.530 -8.503) 8.528 4.635 ( 23.341 18.598 4.744) 30.219 8.092 ( 13.033 14.335 0.064) 19.375 8.394 ( -5.307 -2.133 -4.545) 7.306 10.474 ( -3.588 -1.904 0.345) 4.077 11.100 ( -3.166 -4.657 -21.189) 21.925 12.477 ( -20.113 -19.750 20.059) 34.597 14.808 ( -2.624 -0.714 -9.877) 10.244 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 3.578 7.841 0.701) 8.648 2.357 ( 12.226 8.664 5.511) 15.966 3.065 ( 6.618 14.566 -1.043) 16.033 3.456 ( 4.702 2.679 -7.655) 9.375 4.001 ( -0.912 -1.402 -0.012) 1.673 5.190 ( 20.080 14.251 2.699) 24.771 8.347 ( 6.224 3.011 -5.491) 8.829 8.476 ( 9.736 15.036 -2.397) 18.072 10.412 ( -2.990 0.161 1.210) 3.230 10.884 ( -7.443 -8.358 -15.587) 19.189 11.970 ( -23.808 -17.472 15.128) 33.181 14.757 ( 0.823 -1.232 -6.171) 6.347 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 1.363 6.844 0.101) 6.979 2.649 ( 11.311 6.678 5.002) 14.055 3.284 ( 3.125 12.933 -1.175) 13.357 3.443 ( -2.373 -1.382 -13.024) 13.310 4.008 ( 1.246 -0.196 5.883) 6.017 5.603 ( 14.242 8.681 1.744) 16.770 8.546 ( 14.202 6.616 -6.931) 17.132 8.766 ( 6.892 14.376 -2.837) 16.193 10.375 ( -2.070 -0.721 2.012) 2.976 10.603 ( -11.086 -9.527 -7.737) 16.538 11.446 ( -23.278 -11.139 7.533) 26.883 14.770 ( 3.732 -2.100 -2.152) 4.792 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -0.738 5.936 -0.228) 5.986 2.897 ( 8.999 4.140 3.877) 10.637 3.295 ( -3.960 -2.958 -12.314) 13.269 3.434 ( -1.780 12.226 -0.481) 12.364 4.047 ( 1.195 -0.924 5.348) 5.557 5.856 ( 7.763 3.401 1.206) 8.560 8.891 ( 16.241 8.328 -4.773) 18.865 8.974 ( 6.307 11.797 -5.945) 14.638 10.207 ( -17.414 -11.869 4.355) 21.519 10.373 ( -1.362 -2.608 -0.682) 3.020 11.078 ( -13.857 0.525 0.722) 13.886 14.815 ( 4.469 -3.254 0.933) 5.606 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -2.754 4.751 -0.381) 5.504 2.946 ( -4.801 -4.004 -5.101) 8.069 3.294 ( 8.018 4.209 -1.969) 9.268 3.482 ( -5.790 10.314 -0.080) 11.828 4.045 ( -1.131 -2.795 3.461) 4.590 5.939 ( 0.431 -1.422 0.883) 1.728 9.019 ( -3.449 7.260 -1.454) 8.168 9.311 ( 15.735 -0.431 -7.277) 17.341 9.823 ( -12.486 -1.107 5.609) 13.732 10.356 ( 1.394 -2.033 0.708) 2.564 10.972 ( -4.336 7.289 -0.949) 8.534 14.854 ( 3.615 -4.125 3.167) 6.333 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -4.608 3.160 -0.424) 5.604 2.748 ( -9.104 -5.250 -6.582) 12.400 3.438 ( -9.817 7.799 0.130) 12.539 3.523 ( 11.524 5.329 1.475) 12.781 3.969 ( -4.441 -4.565 1.719) 6.597 5.847 ( -7.466 -5.448 0.684) 9.268 8.948 ( -8.321 -1.363 0.236) 8.435 9.165 ( -14.869 -8.592 5.539) 18.044 10.062 ( 21.446 11.454 -5.752) 24.985 10.383 ( 1.695 3.466 0.093) 3.859 11.044 ( 3.945 8.129 -1.104) 9.103 14.878 ( 2.597 -4.054 4.990) 6.934 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -6.308 1.090 -0.439) 6.417 2.511 ( -10.769 -4.867 -4.709) 12.722 3.303 ( -13.340 4.984 0.377) 14.245 3.769 ( 7.555 2.531 7.759) 11.121 3.821 ( -4.325 -3.697 -5.470) 7.893 5.583 ( -15.566 -8.564 0.492) 17.773 8.727 ( -10.476 -8.749 4.521) 14.378 8.871 ( -16.182 -1.835 5.012) 17.039 10.326 ( 2.712 1.843 -1.221) 3.499 10.686 ( 23.817 14.384 -5.308) 28.326 11.239 ( 10.039 6.918 -3.345) 12.642 14.903 ( 2.538 -2.723 6.429) 7.429 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -10.359 -4.862 -1.820) 11.587 2.270 ( -10.893 -0.879 -0.488) 10.940 3.089 ( -15.816 2.214 0.558) 15.980 3.582 ( -12.048 -6.713 1.407) 13.863 4.002 ( 9.733 3.594 -0.384) 10.382 5.151 ( -23.930 -11.034 0.282) 26.353 8.471 ( -14.488 -6.125 2.746) 15.967 8.613 ( -10.143 -3.307 6.915) 12.714 10.374 ( 1.707 3.140 -1.274) 3.795 11.252 ( 26.241 11.828 2.909) 28.930 11.469 ( 12.215 5.299 -12.358) 18.166 14.956 ( 3.340 -0.717 6.796) 7.606 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -15.446 -6.179 0.498) 16.644 2.080 ( -11.837 -1.685 0.725) 11.978 2.824 ( -16.319 0.143 0.512) 16.328 3.276 ( -16.152 -7.089 0.190) 17.640 4.172 ( 6.741 2.255 -1.508) 7.266 4.556 ( -31.817 -12.676 0.963) 34.262 8.113 ( -19.635 -5.925 1.424) 20.559 8.547 ( 1.460 -0.289 5.734) 5.924 10.450 ( 4.166 2.841 -1.282) 5.203 11.597 ( 5.537 0.647 3.763) 6.725 11.884 ( 30.314 12.221 -11.526) 34.658 15.036 ( 3.524 0.566 5.229) 6.331 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -18.620 -6.542 3.515) 20.046 1.818 ( -16.826 -3.049 1.812) 17.195 2.559 ( -13.912 -0.748 0.075) 13.932 2.890 ( -21.157 -6.889 -0.115) 22.251 3.820 ( -37.464 -11.900 -2.045) 39.361 4.290 ( 3.854 0.827 0.560) 3.981 7.730 ( -18.498 -5.184 1.026) 19.238 8.675 ( 10.122 3.017 2.720) 10.906 10.560 ( 6.350 1.668 -1.053) 6.649 11.633 ( -0.714 -1.557 -3.370) 3.781 12.502 ( 30.748 10.532 -1.703) 32.547 15.100 ( 1.607 0.272 1.738) 2.383 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -20.701 -6.181 7.246) 22.787 1.456 ( -22.653 -3.352 3.126) 23.112 2.348 ( -9.768 -0.764 -0.616) 9.817 2.399 ( -30.567 -5.600 1.218) 31.099 3.073 ( -35.671 -7.404 -1.138) 36.450 4.347 ( 2.342 0.357 -0.951) 2.553 7.405 ( -14.833 -3.013 0.828) 15.159 8.952 ( 17.054 4.043 0.318) 17.529 10.684 ( 7.090 0.464 -0.906) 7.163 11.517 ( -8.182 -3.285 -9.249) 12.779 13.115 ( 29.814 7.709 3.914) 31.042 15.090 ( -2.537 -0.773 -2.845) 3.890 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 17.008 20.726) 26.811 1.248 ( 0.000 22.991 9.405) 24.841 2.023 ( 0.000 37.569 10.895) 39.116 2.211 ( 0.000 6.492 -2.999) 7.151 2.633 ( 0.000 27.850 -3.148) 28.027 4.356 ( -0.000 -4.331 -2.391) 4.948 7.257 ( 0.000 11.735 1.967) 11.899 9.113 ( -0.000 -8.412 -4.986) 9.778 10.764 ( -0.000 -6.250 -1.426) 6.411 11.048 ( -0.000 17.398 -30.855) 35.422 13.603 ( -0.000 -28.423 11.251) 30.569 14.902 ( -0.000 9.546 -11.400) 14.869 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 1.879 16.579 17.065) 23.866 1.554 ( 6.094 19.958 7.552) 22.192 2.314 ( 4.258 9.299 -3.128) 10.695 2.483 ( 10.498 25.299 7.646) 28.438 3.039 ( 12.133 34.692 -2.415) 36.832 4.298 ( -1.165 -2.637 -4.579) 5.411 7.433 ( 4.723 14.469 2.101) 15.365 8.974 ( -4.177 -13.790 2.451) 14.615 10.650 ( -3.675 -5.742 -3.263) 7.558 11.117 ( 1.210 11.748 -29.523) 31.797 13.311 ( -5.178 -28.542 14.520) 32.439 14.955 ( 0.204 5.693 -10.866) 12.269 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 5.446 14.716 12.716) 20.197 1.864 ( 6.813 15.692 5.227) 17.888 2.522 ( 7.497 14.055 -2.586) 16.138 2.883 ( 10.798 15.903 4.078) 19.650 3.640 ( 18.546 29.298 -4.191) 34.927 4.259 ( 0.257 1.590 -2.641) 3.094 7.711 ( 8.635 16.972 2.192) 19.168 8.725 ( -10.224 -10.954 1.753) 15.086 10.545 ( -1.248 -4.872 -2.563) 5.644 11.123 ( 0.333 3.268 -26.406) 26.610 12.966 ( -8.751 -27.029 17.740) 33.494 14.936 ( -3.233 2.299 -10.720) 11.431 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 8.073 12.481 8.956) 17.354 2.117 ( 5.313 11.960 3.405) 13.523 2.814 ( 8.251 18.124 -1.730) 19.989 3.190 ( 9.387 9.634 0.471) 13.459 3.988 ( 3.823 3.416 -9.878) 11.129 4.503 ( 16.282 20.880 4.793) 26.908 8.059 ( 10.364 18.186 2.023) 21.030 8.477 ( -8.571 -3.870 -1.847) 9.584 10.492 ( -0.541 -2.015 -0.825) 2.244 11.026 ( -1.922 -4.871 -22.856) 23.448 12.588 ( -12.051 -25.035 18.530) 33.397 14.840 ( -5.000 0.149 -9.980) 11.163 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 8.905 9.178 7.079) 14.617 2.311 ( 3.973 11.318 1.641) 12.106 3.122 ( 6.385 18.711 -1.518) 19.829 3.382 ( 5.573 4.459 -5.641) 9.097 3.992 ( 0.229 -0.493 -2.457) 2.517 5.026 ( 18.092 17.897 3.063) 25.632 8.306 ( 0.985 3.579 -2.163) 4.296 8.489 ( 7.518 17.646 -0.695) 19.194 10.473 ( -1.939 1.797 0.216) 2.652 10.836 ( -3.930 -9.777 -18.253) 21.076 12.168 ( -16.127 -21.981 15.465) 31.344 14.733 ( -2.824 -1.716 -7.579) 8.268 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 1.578 9.301 1.722) 9.589 2.556 ( 9.429 8.415 4.719) 13.491 3.338 ( 2.336 5.942 -7.659) 9.971 3.466 ( 0.891 11.892 -5.448) 13.111 4.005 ( 0.910 0.343 4.511) 4.615 5.455 ( 14.520 10.672 2.030) 18.134 8.399 ( 7.732 5.628 -4.104) 10.407 8.814 ( 6.809 19.236 -0.626) 20.415 10.441 ( -4.456 1.570 -0.964) 4.822 10.616 ( -5.066 -9.376 -10.163) 14.726 11.714 ( -18.903 -15.400 9.463) 26.154 14.677 ( 1.611 -3.986 -3.986) 5.862 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -1.094 9.412 0.553) 9.491 2.797 ( 9.022 5.340 4.009) 11.224 3.285 ( -2.628 -2.949 -13.001) 13.588 3.622 ( -1.630 17.760 -0.543) 17.843 4.040 ( 0.496 0.223 5.711) 5.736 5.742 ( 10.034 4.010 1.510) 10.910 8.653 ( 15.229 7.511 -4.350) 17.529 9.064 ( 1.928 16.177 -1.820) 16.393 10.342 ( -2.874 -4.984 -3.961) 6.985 10.402 ( -12.010 -4.875 1.375) 13.034 11.336 ( -15.174 -3.027 2.745) 15.715 14.680 ( 5.146 -6.240 -0.552) 8.107 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -3.744 8.498 -0.198) 9.288 2.942 ( 1.398 -1.177 -0.962) 2.065 3.215 ( 2.806 2.129 -7.485) 8.272 3.726 ( -5.675 15.642 0.373) 16.644 4.046 ( -1.297 -1.022 4.180) 4.495 5.885 ( 4.651 -1.407 1.193) 5.003 8.998 ( 17.829 3.566 -5.322) 18.945 9.171 ( -3.763 10.365 -1.303) 11.104 10.109 ( -17.910 0.462 5.020) 18.605 10.282 ( 2.831 -4.415 -1.508) 5.457 11.163 ( -8.719 6.651 -1.187) 11.030 14.715 ( 6.457 -7.603 2.088) 10.191 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -5.903 5.783 -0.841) 8.306 2.831 ( -7.413 -2.771 -5.506) 9.641 3.378 ( 10.678 4.678 -1.628) 11.771 3.735 ( -10.281 13.331 1.208) 16.878 3.995 ( -3.658 -2.941 2.541) 5.337 5.879 ( -1.884 -5.186 0.961) 5.600 9.033 ( -5.258 -9.074 -2.195) 10.715 9.281 ( -0.395 5.727 1.683) 5.982 9.980 ( -0.500 11.930 -0.886) 11.973 10.345 ( 5.263 1.863 1.653) 5.822 11.124 ( -3.886 7.680 -2.721) 9.027 14.759 ( 6.230 -7.447 3.951) 10.483 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -7.147 0.993 -1.662) 7.405 2.652 ( -10.243 0.508 -3.522) 10.844 3.599 ( 4.725 5.105 -3.422) 7.752 3.658 ( -7.788 9.870 3.081) 12.944 3.880 ( -6.055 -4.989 2.076) 8.116 5.724 ( -9.406 -7.176 0.773) 11.856 8.801 ( -8.280 -11.433 2.787) 14.389 9.166 ( -15.479 2.646 2.718) 15.937 10.255 ( 12.021 11.726 -3.993) 17.262 10.499 ( 9.154 7.790 0.309) 12.024 11.170 ( 3.471 4.903 -3.366) 6.886 14.809 ( 5.786 -5.695 5.004) 9.537 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -8.742 -2.908 -1.782) 9.383 2.472 ( -11.945 2.540 -0.883) 12.244 3.444 ( -18.636 7.888 0.745) 20.250 3.698 ( -8.372 -5.350 -1.979) 10.131 3.855 ( 10.638 2.478 1.946) 11.095 5.421 ( -17.834 -7.773 0.624) 19.464 8.581 ( -6.981 -8.237 4.383) 11.653 8.881 ( -19.352 -0.160 2.496) 19.513 10.412 ( -0.786 6.971 -0.960) 7.081 10.902 ( 25.052 10.544 -4.962) 27.630 11.310 ( 9.131 2.002 -2.574) 9.696 14.878 ( 5.777 -3.136 4.850) 8.168 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -12.410 -3.284 0.074) 12.837 2.284 ( -12.327 1.165 0.388) 12.388 3.168 ( -20.577 4.367 0.532) 21.042 3.464 ( -12.519 -5.061 -0.453) 13.511 4.050 ( 9.200 1.685 -0.960) 9.402 4.967 ( -26.805 -7.342 0.805) 27.804 8.389 ( -13.730 -3.797 2.258) 14.424 8.589 ( -9.722 -2.386 3.250) 10.525 10.444 ( -0.421 4.128 -1.036) 4.277 11.417 ( 21.359 5.343 -23.794) 32.418 11.511 ( 16.970 3.707 17.312) 24.524 14.968 ( 5.618 -1.238 3.034) 6.504 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -16.636 -2.625 2.540) 17.032 2.069 ( -13.938 -0.347 1.234) 13.997 2.850 ( -19.377 1.241 -0.086) 19.417 3.171 ( -17.038 -3.038 0.177) 17.308 4.179 ( 2.910 0.880 -5.756) 6.509 4.389 ( -31.379 -5.200 4.237) 32.088 8.040 ( -21.148 -2.343 1.166) 21.309 8.560 ( 4.897 -1.074 1.707) 5.297 10.490 ( 2.925 1.693 -0.886) 3.494 11.553 ( 6.033 -0.716 -14.018) 15.278 12.072 ( 29.922 6.410 9.757) 32.118 15.050 ( 4.227 -0.939 -0.326) 4.342 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -19.741 -1.140 5.063) 20.412 1.797 ( -18.254 -0.716 1.983) 18.375 2.554 ( -15.138 -0.230 -0.925) 15.168 2.827 ( -22.047 0.470 1.743) 22.121 3.692 ( -39.045 0.669 -1.463) 39.078 4.293 ( 3.528 -0.290 -1.001) 3.679 7.681 ( -18.948 -0.402 0.896) 18.973 8.707 ( 12.823 -1.193 0.357) 12.883 10.573 ( 5.769 0.513 -0.729) 5.838 11.540 ( -1.418 -1.418 -15.681) 15.808 12.671 ( 30.546 3.110 11.772) 32.884 15.080 ( 1.330 -1.531 -4.390) 4.836 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 15.246 16.430) 22.414 1.701 ( 0.000 17.523 6.746) 18.777 2.357 ( 0.000 10.523 -3.362) 11.047 2.672 ( 0.000 24.199 5.752) 24.873 3.298 ( 0.000 38.305 -2.684) 38.399 4.272 ( -0.000 -1.217 -4.801) 4.953 7.552 ( 0.000 16.740 1.908) 16.848 8.893 ( -0.000 -11.654 4.412) 12.461 10.618 ( -0.000 -7.394 -1.467) 7.538 11.103 ( -0.000 6.361 -31.735) 32.366 13.104 ( -0.000 -29.943 15.779) 33.847 14.982 ( -0.000 5.561 -9.906) 11.360 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 1.015 13.993 12.736) 18.948 1.926 ( 4.864 13.384 6.020) 15.460 2.523 ( 6.680 13.694 -2.687) 15.471 2.940 ( 4.109 18.682 2.933) 19.353 3.708 ( 7.033 29.643 -5.625) 30.980 4.276 ( 0.828 6.280 -1.486) 6.507 7.776 ( 5.078 18.632 1.947) 19.409 8.763 ( -5.027 -8.839 3.750) 10.838 10.516 ( -2.152 -5.884 -2.212) 6.644 11.047 ( 0.740 -1.027 -28.647) 28.675 12.835 ( -3.138 -29.222 17.222) 34.064 14.983 ( -2.246 3.587 -9.242) 10.165 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 3.852 12.110 9.658) 15.961 2.148 ( 5.562 10.384 4.487) 12.605 2.825 ( 10.740 17.283 -1.631) 20.413 3.173 ( 4.662 11.802 -0.890) 12.721 3.947 ( 2.823 5.914 -9.002) 11.135 4.522 ( 9.254 24.439 4.039) 26.443 8.095 ( 8.638 19.848 2.431) 21.782 8.585 ( -8.280 -3.382 0.304) 8.949 10.454 ( 1.121 -2.851 -1.736) 3.521 10.926 ( -0.934 -7.233 -23.875) 24.964 12.527 ( -5.974 -27.990 17.091) 33.335 14.913 ( -5.590 1.482 -8.775) 10.509 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 5.964 9.575 8.099) 13.887 2.350 ( 5.262 10.044 2.620) 11.638 3.179 ( 8.569 18.462 -1.827) 20.436 3.321 ( 5.075 5.268 -5.894) 9.394 3.978 ( 0.774 1.546 -2.696) 3.203 4.967 ( 12.408 21.838 2.953) 25.290 8.363 ( -1.664 6.487 0.327) 6.705 8.549 ( 5.486 16.552 0.233) 17.440 10.483 ( 3.030 1.528 -0.591) 3.445 10.733 ( -3.038 -11.093 -19.557) 22.688 12.184 ( -8.724 -25.934 14.847) 31.130 14.781 ( -6.786 -0.647 -7.777) 10.342 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 5.814 6.466 6.895) 11.097 2.551 ( 5.140 11.555 1.226) 12.706 3.303 ( 0.708 0.068 -10.168) 10.192 3.554 ( 6.710 18.106 -2.400) 19.458 4.014 ( 1.115 2.545 3.681) 4.612 5.353 ( 11.235 13.273 1.898) 17.492 8.377 ( 0.735 6.189 -1.636) 6.444 8.890 ( 7.891 20.566 1.529) 22.081 10.494 ( -5.002 -9.384 -13.698) 17.341 10.568 ( 1.929 2.898 -1.089) 3.648 11.819 ( -10.906 -21.028 10.583) 25.944 14.642 ( -4.211 -3.444 -5.727) 7.899 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 3.368 7.155 4.248) 8.977 2.747 ( 4.977 9.073 1.406) 10.444 3.247 ( -0.795 -2.937 -11.949) 12.330 3.781 ( 1.547 13.098 -0.207) 13.190 4.091 ( 0.304 7.969 4.619) 9.216 5.618 ( 9.136 4.531 1.407) 10.294 8.523 ( 8.022 8.541 -1.201) 11.779 9.182 ( 3.523 16.738 0.616) 17.116 10.280 ( -2.654 -10.864 -10.195) 15.133 10.591 ( -6.796 6.314 2.124) 9.517 11.501 ( -9.552 -10.189 4.762) 14.755 14.549 ( 0.879 -6.775 -2.880) 7.414 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -1.722 9.253 1.182) 9.485 2.885 ( 3.949 1.260 0.776) 4.217 3.187 ( 0.271 1.425 -9.794) 9.900 3.869 ( 0.181 2.158 3.371) 4.007 4.187 ( -5.112 16.131 1.461) 16.985 5.767 ( 6.813 -2.562 1.235) 7.383 8.780 ( 12.058 6.778 -1.429) 13.906 9.321 ( -2.375 9.413 -0.078) 9.709 10.155 ( 2.043 -8.576 -5.671) 10.482 10.467 ( -15.161 8.426 4.595) 17.944 11.342 ( -6.228 2.085 -0.633) 6.598 14.522 ( 5.678 -9.254 -0.008) 10.857 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -6.456 3.977 -2.051) 7.855 2.904 ( -2.282 1.739 -1.401) 3.193 3.263 ( 6.573 5.209 -4.706) 9.617 3.871 ( 0.009 -4.049 5.059) 6.480 4.216 ( -11.835 18.018 -0.493) 21.563 5.811 ( 3.344 -6.736 1.099) 7.600 8.948 ( 3.109 -4.840 -2.527) 6.283 9.364 ( 0.026 8.753 2.433) 9.085 10.094 ( -0.308 -4.756 -4.776) 6.747 10.401 ( -6.360 15.985 6.038) 18.233 11.272 ( -6.303 4.840 -3.580) 8.716 14.554 ( 8.342 -9.512 2.155) 12.834 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -7.425 -0.965 -2.609) 7.929 2.846 ( -8.754 6.001 -1.382) 10.703 3.444 ( 10.276 3.618 -4.185) 11.670 3.828 ( -1.226 -5.742 6.136) 8.493 4.128 ( -17.230 14.847 -1.211) 22.776 5.755 ( -2.075 -7.564 0.889) 7.894 8.814 ( -5.997 -10.112 0.188) 11.758 9.415 ( -7.480 4.424 2.703) 9.101 10.142 ( 10.243 5.558 -5.435) 12.859 10.540 ( -0.074 15.600 5.772) 16.633 11.194 ( -3.975 1.064 -5.027) 6.497 14.627 ( 8.975 -7.528 3.094) 12.116 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -8.078 -1.594 -1.267) 8.331 2.714 ( -12.241 4.606 -0.779) 13.102 3.624 ( 7.268 1.624 -8.372) 11.205 3.773 ( -0.056 -4.081 9.688) 10.512 3.917 ( -20.642 9.211 -1.367) 22.645 5.592 ( -9.577 -5.999 0.678) 11.321 8.616 ( -6.187 -7.919 1.965) 10.240 9.217 ( -17.558 0.804 1.785) 17.666 10.444 ( 13.044 8.677 -4.977) 16.438 10.694 ( 3.021 10.633 2.454) 11.323 11.177 ( 5.368 -1.785 -2.811) 6.317 14.727 ( 8.621 -4.602 2.534) 10.096 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -9.629 -0.909 0.613) 9.691 2.523 ( -13.515 1.826 0.048) 13.638 3.574 ( -12.373 2.495 -0.285) 12.625 3.601 ( -16.905 -0.965 -3.243) 17.241 3.897 ( 9.503 0.627 2.085) 9.750 5.308 ( -18.640 -3.465 0.702) 18.973 8.472 ( -4.341 -4.296 1.391) 6.264 8.884 ( -21.188 -0.703 1.226) 21.235 10.539 ( -4.948 4.801 -0.505) 6.913 11.007 ( 22.994 3.924 -12.232) 26.339 11.335 ( 12.428 0.946 8.432) 15.049 14.840 ( 7.818 -2.416 0.484) 8.197 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -13.045 0.255 2.415) 13.269 2.301 ( -13.334 -0.121 0.816) 13.360 3.216 ( -22.303 -0.606 -0.693) 22.322 3.405 ( -12.138 0.285 -0.863) 12.172 4.059 ( 8.428 0.220 -1.900) 8.643 4.896 ( -27.604 -0.140 1.438) 27.641 8.348 ( -11.619 -1.208 0.419) 11.690 8.558 ( -10.957 -1.546 -0.404) 11.073 10.493 ( -2.028 0.584 -0.150) 2.116 11.313 ( 15.433 -0.060 -21.472) 26.442 11.704 ( 23.127 2.857 19.724) 30.530 14.939 ( 6.337 -1.884 -2.682) 7.135 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -17.020 1.904 3.786) 17.540 2.071 ( -14.028 -0.329 1.414) 14.103 2.841 ( -19.320 -1.693 -1.075) 19.424 3.176 ( -16.410 3.118 0.732) 16.720 4.155 ( 1.370 0.902 -7.443) 7.622 4.406 ( -30.026 3.886 5.179) 30.716 8.034 ( -20.958 1.224 0.601) 21.002 8.520 ( 5.599 -2.609 -2.560) 6.687 10.499 ( 2.769 -0.611 0.100) 2.837 11.433 ( 6.804 -0.517 -20.149) 21.273 12.227 ( 28.262 -0.230 19.727) 34.467 14.994 ( 4.104 -2.463 -6.252) 7.874 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.000 10.519 3.592) 11.115 2.009 ( 0.000 11.938 12.764) 17.477 2.587 ( 0.000 14.200 -2.415) 14.404 3.096 ( 0.000 16.973 0.548) 16.982 3.871 ( 0.000 15.854 -8.591) 18.032 4.390 ( 0.000 20.449 2.495) 20.600 7.921 ( 0.000 19.145 1.017) 19.172 8.750 ( -0.000 -4.945 3.672) 6.159 10.471 ( -0.000 -6.333 -0.870) 6.393 10.910 ( -0.000 -6.581 -28.897) 29.637 12.624 ( -0.000 -29.000 17.044) 33.638 15.016 ( -0.000 3.654 -7.815) 8.627 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 2.488 9.299 4.508) 10.629 2.175 ( 2.972 8.841 8.681) 12.742 2.802 ( 8.738 15.188 -1.564) 17.592 3.242 ( 0.669 11.240 -3.880) 11.910 3.948 ( 0.769 4.886 -6.642) 8.281 4.688 ( 3.795 28.748 3.709) 29.234 8.165 ( 6.045 19.199 0.865) 20.147 8.683 ( -5.104 -0.734 0.655) 5.198 10.407 ( -0.130 -3.808 -0.891) 3.913 10.757 ( 1.448 -10.907 -23.712) 26.141 12.369 ( -2.610 -28.436 15.617) 32.547 14.994 ( -3.878 2.720 -6.949) 8.409 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 4.257 8.663 5.876) 11.301 2.343 ( 5.643 6.843 4.890) 10.128 3.152 ( 13.811 16.122 -1.178) 21.262 3.302 ( -0.184 3.953 -8.891) 9.732 3.986 ( 0.526 3.746 -0.967) 3.904 5.054 ( 5.819 24.907 2.758) 25.726 8.459 ( 2.878 12.687 0.838) 13.036 8.626 ( 0.354 10.257 -1.559) 10.381 10.414 ( 3.982 -0.874 -1.068) 4.214 10.593 ( -0.072 -11.774 -17.522) 21.111 12.073 ( -4.730 -27.384 13.151) 30.744 14.892 ( -7.828 1.188 -6.469) 10.225 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 4.430 5.789 7.583) 10.519 2.546 ( 7.934 8.527 1.267) 11.716 3.271 ( -1.104 -0.943 -11.173) 11.267 3.550 ( 13.215 16.636 -1.688) 21.313 4.036 ( 0.918 3.507 3.502) 5.041 5.365 ( 5.230 16.858 1.755) 17.737 8.471 ( -3.934 7.126 -1.484) 8.274 8.940 ( 10.336 19.125 1.334) 21.780 10.374 ( -1.238 -12.999 -13.339) 18.666 10.556 ( 5.732 4.874 -0.971) 7.587 11.759 ( -5.734 -24.486 10.167) 27.126 14.722 ( -9.446 -1.064 -5.814) 11.143 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 5.294 3.984 6.494) 9.278 2.768 ( 6.438 9.865 0.188) 11.782 3.194 ( -1.073 -3.050 -10.879) 11.349 3.845 ( 3.448 10.048 -0.700) 10.646 4.152 ( 5.959 9.595 4.090) 12.013 5.564 ( 3.582 7.311 1.110) 8.216 8.533 ( 1.815 9.751 0.086) 9.919 9.265 ( 6.125 15.584 1.402) 16.803 10.172 ( -2.411 -12.400 -10.671) 16.536 10.719 ( 2.938 9.633 0.084) 10.071 11.487 ( -3.652 -17.486 6.665) 19.066 14.533 ( -7.196 -4.256 -4.462) 9.477 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 6.022 3.171 4.864) 8.365 2.912 ( -1.080 6.511 -1.801) 6.842 3.150 ( 2.635 1.021 -8.523) 8.979 3.884 ( -1.901 -0.956 3.015) 3.690 4.409 ( 3.373 19.490 0.887) 19.800 5.646 ( 3.228 -2.396 0.916) 4.123 8.710 ( 6.269 9.797 1.458) 11.722 9.435 ( -0.663 8.254 0.492) 8.295 10.011 ( 0.793 -10.607 -7.311) 12.907 10.785 ( -7.932 11.284 2.614) 14.038 11.375 ( 1.616 -4.691 1.406) 5.157 14.387 ( -1.366 -7.596 -2.303) 8.054 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -5.254 -0.960 -3.537) 6.406 2.910 ( 4.392 4.521 3.075) 7.013 3.242 ( 2.986 8.235 -6.203) 10.734 3.826 ( -1.081 -6.739 4.788) 8.337 4.594 ( -6.958 22.159 -0.440) 23.230 5.654 ( 4.933 -9.533 0.985) 10.779 8.881 ( 3.044 3.275 0.704) 4.526 9.455 ( -1.829 5.345 1.538) 5.855 9.949 ( 4.614 -8.655 -5.463) 11.227 10.753 ( -10.371 15.364 5.091) 19.223 11.376 ( -2.076 1.895 -2.987) 4.101 14.336 ( 5.490 -8.945 -0.027) 10.496 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -6.998 -0.969 -2.244) 7.413 3.005 ( -1.029 5.156 1.047) 5.361 3.347 ( 3.312 6.826 -6.147) 9.765 3.765 ( 1.354 -8.599 5.786) 10.453 4.584 ( -16.810 17.325 -0.738) 24.151 5.647 ( 5.029 -9.586 0.870) 10.860 8.837 ( -5.745 -4.600 0.144) 7.361 9.529 ( -0.109 5.577 2.917) 6.295 9.970 ( 8.754 -3.562 -5.040) 10.711 10.797 ( -5.590 17.553 6.214) 19.442 11.283 ( -7.884 -1.124 -5.286) 9.558 14.393 ( 9.854 -7.158 1.084) 12.227 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -7.642 -0.199 -0.297) 7.651 2.953 ( -9.980 3.716 -0.319) 10.654 3.474 ( 7.975 3.127 -6.962) 11.039 3.741 ( 1.622 -5.703 6.524) 8.816 4.372 ( -21.790 7.983 -0.329) 23.208 5.626 ( -0.264 -4.657 0.556) 4.697 8.672 ( -7.347 -4.142 0.830) 8.475 9.471 ( -10.444 0.277 1.233) 10.520 10.189 ( 17.346 2.882 -3.935) 18.018 10.918 ( -5.160 16.453 6.688) 18.495 11.088 ( -3.843 -8.482 -5.675) 10.905 14.520 ( 10.715 -3.916 0.421) 11.416 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -8.327 0.862 1.615) 8.526 2.767 ( -13.310 0.281 -0.038) 13.313 3.592 ( 3.660 1.753 -10.193) 10.971 3.757 ( 3.599 -2.614 7.224) 8.483 4.026 ( -22.450 0.568 1.066) 22.482 5.528 ( -9.023 -0.229 0.462) 9.038 8.531 ( -6.182 -1.073 0.011) 6.274 9.222 ( -17.940 -0.882 0.519) 17.969 10.524 ( 17.205 2.589 -3.811) 17.811 10.799 ( -6.698 -3.729 -4.890) 9.093 11.176 ( 9.768 3.633 7.209) 12.672 14.668 ( 9.492 -1.453 -1.603) 9.735 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -9.784 2.088 3.157) 10.491 2.527 ( -13.660 -1.565 0.507) 13.758 3.523 ( -12.324 -1.949 -5.225) 13.527 3.619 ( -15.312 0.129 -1.456) 15.381 3.909 ( 7.708 -0.812 3.071) 8.337 5.310 ( -18.437 3.132 0.852) 18.721 8.437 ( -4.764 1.174 -2.289) 5.414 8.870 ( -21.396 -1.029 -0.197) 21.422 10.548 ( -5.235 -4.035 0.501) 6.629 10.933 ( 20.493 -1.100 -14.560) 25.163 11.449 ( 15.732 1.253 14.976) 21.757 14.794 ( 7.374 -0.707 -4.287) 8.559 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -13.116 3.766 4.037) 14.231 2.288 ( -12.461 -1.458 0.785) 12.570 3.150 ( -20.138 -4.233 -1.390) 20.625 3.449 ( -11.432 4.131 -2.029) 12.323 4.039 ( 7.438 -0.985 -2.094) 7.790 4.978 ( -26.187 6.964 1.916) 27.164 8.348 ( -9.499 1.924 -2.289) 9.959 8.526 ( -13.813 -0.547 -3.189) 14.187 10.462 ( -0.342 -3.426 0.856) 3.548 11.177 ( 14.734 -1.278 -18.858) 23.966 11.832 ( 23.407 -3.087 21.070) 31.644 14.873 ( 4.922 -1.305 -7.059) 8.704 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 0.000 6.321 1.129) 6.421 2.273 ( 0.000 7.886 10.058) 12.781 2.859 ( 0.000 13.871 -1.274) 13.929 3.311 ( -0.000 6.449 -8.485) 10.658 3.976 ( 0.000 5.172 -2.408) 5.706 4.957 ( 0.000 28.882 3.237) 29.062 8.288 ( 0.000 17.279 -0.760) 17.296 8.735 ( 0.000 2.156 -1.912) 2.882 10.376 ( -0.000 -2.795 0.496) 2.839 10.552 ( -0.000 -12.943 -19.715) 23.584 12.155 ( -0.000 -28.263 13.227) 31.205 15.041 ( -0.000 3.212 -5.455) 6.331 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 4.941 5.583 0.538) 7.475 2.379 ( 1.161 5.815 8.938) 10.726 3.075 ( 9.919 12.836 -1.035) 16.255 3.311 ( -0.675 1.316 -11.724) 11.817 4.031 ( -0.091 5.873 1.462) 6.053 5.250 ( 1.663 24.903 2.464) 25.080 8.507 ( 6.399 14.602 -1.057) 15.977 8.723 ( -2.829 5.490 -5.379) 8.190 10.347 ( 0.148 -5.154 -3.949) 6.494 10.418 ( 3.001 -7.369 -8.145) 11.386 11.896 ( -2.117 -27.559 10.309) 29.500 15.012 ( -5.314 2.745 -4.719) 7.618 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 7.845 5.810 0.775) 9.793 2.487 ( 3.643 3.934 7.490) 9.211 3.244 ( -0.971 -1.601 -11.704) 11.853 3.436 ( 15.684 12.734 -1.276) 20.243 4.084 ( -0.785 4.460 3.341) 5.628 5.499 ( 1.095 18.578 1.657) 18.684 8.610 ( -4.148 6.938 -4.312) 9.162 8.909 ( 12.689 14.691 -1.735) 19.490 10.235 ( -0.622 -10.655 -7.871) 13.261 10.475 ( 6.337 2.184 0.183) 6.705 11.616 ( -3.051 -24.934 7.668) 26.264 14.884 ( -10.268 1.426 -4.486) 11.295 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 3.848 2.774 6.230) 7.831 2.696 ( 10.766 6.108 0.582) 12.392 3.163 ( -1.877 -2.418 -9.968) 10.427 3.829 ( 13.114 12.423 -1.799) 18.153 4.126 ( 2.653 2.600 4.291) 5.676 5.648 ( -1.527 10.984 0.990) 11.134 8.624 ( -1.099 8.842 -2.151) 9.166 9.266 ( 11.285 12.948 -0.405) 17.180 10.081 ( -3.308 -9.351 -6.306) 11.754 10.659 ( 11.153 4.396 -0.271) 11.991 11.369 ( -2.244 -18.992 6.014) 20.047 14.674 ( -12.778 -0.684 -4.160) 13.455 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 5.084 1.428 4.605) 7.007 2.935 ( 7.870 6.914 0.268) 10.479 3.085 ( -0.278 -1.869 -7.657) 7.886 3.950 ( -4.152 1.939 0.988) 4.687 4.395 ( 16.386 11.371 1.309) 19.987 5.662 ( -4.784 2.510 0.555) 5.431 8.738 ( 3.313 9.900 1.026) 10.490 9.495 ( 3.517 7.215 -0.547) 8.045 9.909 ( -3.711 -8.790 -4.976) 10.761 10.907 ( 8.406 8.442 -1.261) 11.980 11.236 ( 3.285 -10.717 4.979) 12.266 14.433 ( -11.081 -3.276 -3.165) 11.980 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 5.369 0.101 1.940) 5.709 2.958 ( -4.082 1.060 -2.030) 4.681 3.209 ( 9.065 6.522 -2.972) 11.556 3.848 ( -6.481 -3.639 2.215) 7.755 4.782 ( 10.820 16.781 -0.005) 19.967 5.548 ( -5.365 -7.289 0.500) 9.064 8.894 ( 2.835 6.751 2.112) 7.621 9.543 ( -2.330 4.120 0.166) 4.736 9.783 ( 1.468 -8.665 -4.388) 9.823 11.017 ( -4.234 9.001 2.343) 10.219 11.321 ( 8.982 -1.371 -0.246) 9.090 14.245 ( -4.324 -4.978 -1.451) 6.752 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -4.757 -0.033 -1.002) 4.862 2.977 ( 5.114 0.785 0.636) 5.213 3.397 ( 3.807 9.769 -4.186) 11.289 3.696 ( -4.175 -8.705 3.931) 10.424 5.005 ( -10.144 18.741 -0.645) 21.320 5.415 ( 7.028 -14.281 0.774) 15.935 8.915 ( -4.896 -0.058 0.954) 4.988 9.578 ( 0.400 4.761 2.087) 5.214 9.770 ( 7.240 -4.972 -3.956) 9.633 11.025 ( -4.446 6.508 3.113) 8.474 11.379 ( -2.879 0.977 -2.353) 3.844 14.202 ( 4.747 -3.801 -0.167) 6.084 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -7.002 1.244 0.919) 7.171 3.051 ( 1.425 -0.904 -0.856) 1.892 3.451 ( -3.850 5.703 -5.473) 8.792 3.642 ( 5.505 -5.407 5.123) 9.262 4.788 ( -21.209 0.448 -0.097) 21.214 5.523 ( 8.785 -0.479 0.251) 8.801 8.791 ( -8.136 -0.181 1.025) 8.202 9.577 ( -2.673 -1.993 -0.662) 3.399 9.939 ( 13.087 2.911 -0.985) 13.443 10.994 ( -1.793 -5.661 -0.914) 6.008 11.260 ( -11.413 5.315 1.526) 12.682 14.313 ( 9.958 -0.549 -0.643) 9.994 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -7.743 2.122 2.664) 8.459 2.953 ( -9.181 -3.398 -0.414) 9.799 3.481 ( 5.735 1.337 -6.924) 9.089 3.715 ( 2.885 0.186 4.515) 5.361 4.380 ( -21.596 -7.259 0.571) 22.791 5.622 ( -0.115 4.089 0.125) 4.093 8.668 ( -8.173 3.404 0.380) 8.862 9.449 ( -9.689 -2.429 -1.104) 10.050 10.217 ( 16.658 1.532 -1.219) 16.772 10.803 ( -4.713 -16.223 -4.950) 17.604 11.209 ( -3.668 7.668 6.828) 10.903 14.493 ( 10.056 2.018 -2.424) 10.539 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -8.234 2.437 3.706) 9.352 2.727 ( -12.188 -3.513 0.612) 12.699 3.570 ( 3.899 1.912 -11.397) 12.196 3.748 ( -1.754 -2.579 3.894) 4.989 3.961 ( -15.971 -6.629 3.760) 17.696 5.590 ( -9.305 5.610 0.420) 10.873 8.576 ( -8.161 6.188 -2.320) 10.501 9.190 ( -17.212 -2.376 -1.159) 17.413 10.504 ( 13.416 -4.678 0.940) 14.240 10.586 ( 2.752 -9.407 -7.383) 12.271 11.297 ( 6.392 0.433 8.784) 10.872 14.661 ( 7.635 2.804 -4.431) 9.262 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -8.671 1.327 3.209) 9.341 2.496 ( -12.810 0.042 1.991) 12.964 3.418 ( -17.419 -6.217 -2.304) 18.639 3.608 ( -3.950 1.747 -8.457) 9.496 3.914 ( 4.647 -0.844 5.303) 7.101 5.425 ( -17.354 7.388 1.060) 18.891 8.489 ( -7.942 6.309 -5.393) 11.488 8.838 ( -19.991 -1.556 -2.010) 20.152 10.432 ( -0.740 -6.465 1.139) 6.606 10.817 ( 18.801 -3.240 -10.354) 21.707 11.496 ( 16.496 -6.177 13.593) 22.250 14.774 ( 4.533 2.060 -6.123) 7.892 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 0.000 4.121 0.059) 4.121 2.445 ( 0.000 4.153 7.974) 8.990 3.099 ( 0.000 10.809 -0.682) 10.830 3.275 ( -0.000 -1.598 -12.835) 12.934 4.103 ( 0.000 6.512 2.835) 7.103 5.478 ( 0.000 21.807 1.886) 21.888 8.567 ( 0.000 11.656 -2.374) 11.895 8.772 ( -0.000 4.176 -9.985) 10.823 10.239 ( -0.000 -9.339 -5.312) 10.744 10.374 ( 0.000 1.782 1.821) 2.548 11.669 ( -0.000 -27.193 7.033) 28.088 15.079 ( 0.000 3.289 -3.528) 4.823 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 5.915 3.571 -0.084) 6.910 2.510 ( 1.089 2.614 7.134) 7.675 3.203 ( -0.365 -1.554 -10.602) 10.721 3.299 ( 10.770 8.332 -1.414) 13.690 4.162 ( -1.224 5.084 2.928) 5.993 5.675 ( -0.143 16.895 1.240) 16.941 8.695 ( 0.466 6.512 -5.681) 8.654 8.813 ( 7.985 7.157 -7.344) 12.997 10.156 ( -0.911 -5.262 -0.083) 5.341 10.424 ( 2.299 2.477 1.659) 3.765 11.420 ( -0.522 -24.659 4.270) 25.032 15.044 ( -6.565 2.786 -3.101) 7.777 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 9.526 3.369 -0.416) 10.113 2.582 ( 3.421 1.351 6.478) 7.449 3.141 ( -1.073 -1.694 -8.426) 8.661 3.637 ( 18.383 8.271 -0.924) 20.179 4.173 ( -2.741 2.395 2.580) 4.461 5.800 ( -2.224 11.190 0.723) 11.431 8.705 ( -1.056 5.880 -5.793) 8.322 9.118 ( 16.746 7.726 -2.909) 18.671 10.084 ( -4.270 -1.651 1.003) 4.686 10.503 ( 6.428 -1.643 0.547) 6.658 11.222 ( 0.884 -16.868 3.022) 17.159 14.892 ( -12.417 1.579 -2.990) 12.870 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 3.675 0.308 3.705) 5.228 2.792 ( 12.912 3.145 0.707) 13.308 3.084 ( -2.027 -0.510 -5.088) 5.501 4.012 ( 8.276 7.332 -2.033) 11.242 4.176 ( 8.932 0.077 2.925) 9.399 5.812 ( -6.340 5.313 0.278) 8.277 8.770 ( 2.649 6.682 -1.591) 7.362 9.423 ( 11.045 4.074 -2.284) 11.992 9.966 ( -8.756 -0.730 0.459) 8.798 10.659 ( 17.084 -4.356 -1.261) 17.676 11.147 ( 1.735 -5.807 3.450) 6.974 14.648 ( -15.574 0.161 -2.536) 15.780 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 4.849 -0.616 1.783) 5.203 3.028 ( -3.482 0.894 -1.592) 3.932 3.050 ( 13.420 2.598 0.137) 13.670 3.965 ( -8.151 -0.274 -0.371) 8.164 4.564 ( 23.514 4.523 0.470) 23.950 5.686 ( -11.453 0.204 -0.050) 11.454 8.894 ( 4.443 4.204 0.503) 6.137 9.557 ( 4.024 1.449 -1.923) 4.690 9.788 ( -9.388 -2.247 0.329) 9.659 10.977 ( 19.873 0.809 -3.381) 20.175 11.158 ( 1.996 -1.600 4.624) 5.285 14.379 ( -13.954 -0.555 -1.337) 14.029 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 5.011 -0.806 -0.103) 5.076 2.971 ( -3.705 1.025 0.252) 3.852 3.295 ( 12.205 1.695 1.100) 12.371 3.793 ( -10.152 -1.540 -1.045) 10.321 4.986 ( 21.547 0.150 0.240) 21.549 5.438 ( -16.349 -0.351 -0.269) 16.355 8.956 ( 0.539 -1.521 -0.636) 1.735 9.629 ( -1.068 -5.119 -1.093) 5.343 9.657 ( 0.506 7.624 1.898) 7.873 11.105 ( -2.222 -1.220 -0.785) 2.654 11.314 ( 11.734 0.109 0.667) 11.753 14.197 ( -6.135 0.827 0.067) 6.190 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -3.388 2.109 1.511) 4.267 2.955 ( 3.672 -2.417 -1.434) 4.624 3.481 ( 8.071 -6.377 4.889) 11.389 3.617 ( -8.280 5.884 -4.609) 11.155 5.015 ( -10.306 -18.602 0.360) 21.270 5.404 ( 7.311 13.893 -0.441) 15.706 8.904 ( -3.491 -1.135 -0.288) 3.682 9.543 ( -0.783 -5.367 -1.493) 5.626 9.832 ( 6.780 8.569 2.507) 11.210 10.975 ( -5.956 -10.334 -2.003) 12.094 11.414 ( -0.760 1.380 1.366) 2.085 14.204 ( 3.764 4.096 0.088) 5.564 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -7.208 2.523 3.531) 8.414 2.973 ( 1.147 -5.062 -2.454) 5.741 3.417 ( -0.760 -5.407 0.295) 5.468 3.693 ( 3.452 6.724 -0.858) 7.607 4.595 ( -16.668 -17.048 0.401) 23.846 5.637 ( 5.239 9.151 -0.244) 10.547 8.845 ( -5.482 4.967 0.928) 7.456 9.476 ( -0.303 -6.111 -2.580) 6.640 10.042 ( 8.029 6.070 2.193) 10.301 10.702 ( -6.934 -18.555 -3.620) 20.136 11.366 ( -5.705 0.629 3.511) 6.728 14.369 ( 8.263 6.542 -1.424) 10.635 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -7.680 -0.191 3.268) 8.349 2.866 ( -7.289 -2.868 0.849) 7.878 3.432 ( 6.567 -2.149 -5.856) 9.057 3.782 ( -0.060 3.096 1.407) 3.401 4.150 ( -16.075 -14.323 1.222) 21.565 5.747 ( -1.787 7.217 0.061) 7.435 8.807 ( -8.677 10.480 -0.542) 13.617 9.363 ( -6.781 -5.167 -2.694) 8.941 10.228 ( 10.050 -2.027 3.010) 10.685 10.436 ( 0.272 -15.870 -4.596) 16.525 11.285 ( -2.895 -3.276 4.415) 6.214 14.569 ( 7.400 6.962 -3.019) 10.599 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -7.446 -3.601 1.345) 8.380 2.723 ( -10.200 3.380 4.132) 11.513 3.509 ( 5.456 -1.279 -11.061) 12.400 3.630 ( -12.658 -9.971 -0.071) 16.114 3.932 ( -2.504 0.882 5.707) 6.294 5.722 ( -9.028 6.839 0.547) 11.339 8.734 ( -11.783 11.402 -4.319) 16.955 9.110 ( -15.369 -4.221 -3.083) 16.234 10.320 ( 8.085 -10.548 3.285) 13.690 10.458 ( 12.910 -3.504 -4.054) 13.977 11.257 ( 5.656 -8.556 5.369) 11.577 14.723 ( 4.295 5.713 -3.932) 8.158 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 0.000 2.451 -0.119) 2.454 2.539 ( 0.000 1.225 6.080) 6.202 3.160 ( -0.000 -2.166 -9.253) 9.503 3.270 ( 0.000 6.757 -0.334) 6.765 4.228 ( 0.000 4.129 2.131) 4.646 5.829 ( 0.000 13.029 0.660) 13.045 8.722 ( 0.000 5.917 -2.166) 6.301 8.764 ( -0.000 2.360 -11.643) 11.879 10.150 ( 0.000 -0.096 4.748) 4.749 10.447 ( 0.000 3.664 1.654) 4.020 11.189 ( -0.000 -23.235 1.284) 23.270 15.123 ( 0.000 2.835 -2.395) 3.712 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 6.443 1.817 -0.089) 6.695 2.572 ( 1.198 0.063 5.165) 5.302 3.118 ( -0.318 -0.662 -5.872) 5.918 3.429 ( 11.815 4.712 -0.314) 12.724 4.248 ( -2.106 2.220 1.131) 3.262 5.928 ( -1.113 8.345 0.226) 8.422 8.744 ( -0.451 3.719 -6.027) 7.096 8.890 ( 13.155 3.543 -2.542) 13.859 10.167 ( -1.832 3.574 4.935) 6.363 10.451 ( -2.549 -1.818 -0.080) 3.132 11.022 ( 4.164 -15.248 0.326) 15.810 15.077 ( -7.366 2.071 -2.199) 7.961 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 8.141 0.758 -0.759) 8.212 2.621 ( 5.529 -0.552 4.454) 7.121 3.100 ( -0.838 1.097 -2.169) 2.571 3.746 ( 20.260 3.115 -0.398) 20.502 4.205 ( -4.397 0.034 0.167) 4.400 5.947 ( -3.845 3.606 -0.130) 5.273 8.779 ( 1.391 3.982 -1.259) 4.402 9.196 ( 17.609 2.460 -1.284) 17.827 10.160 ( -9.341 5.613 3.065) 11.320 10.370 ( 6.575 -9.266 -2.322) 11.597 11.036 ( 6.409 -3.986 1.280) 7.655 14.906 ( -13.514 1.193 -1.876) 13.696 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 3.647 -1.617 0.764) 4.062 2.826 ( 13.581 -0.165 0.840) 13.608 3.092 ( -2.063 2.575 1.310) 3.550 4.088 ( -4.049 1.589 -2.777) 5.161 4.166 ( 21.780 -2.252 1.484) 21.947 5.861 ( -8.050 -0.197 -0.468) 8.066 8.847 ( 3.087 0.807 0.842) 3.300 9.455 ( 9.930 1.526 -0.726) 10.073 9.974 ( -11.965 -0.966 0.663) 12.023 10.583 ( 21.194 0.737 -1.273) 21.245 11.111 ( 3.813 -1.365 1.458) 4.304 14.650 ( -16.423 1.063 -0.857) 16.480 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 5.019 -2.212 -0.928) 5.563 3.019 ( 5.424 -1.467 -0.471) 5.638 3.117 ( 4.564 2.666 5.231) 7.437 3.944 ( -8.754 -0.754 -2.689) 9.188 4.562 ( 23.849 -5.109 0.190) 24.391 5.681 ( -11.421 -0.522 -0.635) 11.451 8.876 ( 2.739 -5.384 -1.351) 6.190 9.581 ( 3.748 0.098 0.480) 3.780 9.810 ( -7.842 4.483 2.606) 9.401 10.993 ( 21.803 3.454 -2.600) 22.228 11.119 ( -0.202 -4.962 1.519) 5.194 14.399 ( -13.875 2.714 0.784) 14.159 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 6.376 -2.580 -2.491) 7.316 3.001 ( -4.172 0.287 2.446) 4.845 3.285 ( 9.705 -3.313 5.303) 11.545 3.788 ( -8.103 2.411 -4.322) 9.495 4.783 ( 11.356 -17.212 0.126) 20.621 5.537 ( -5.556 7.064 -0.652) 9.011 8.848 ( 3.201 -7.149 -2.721) 8.292 9.549 ( -3.439 -3.963 0.850) 5.315 9.866 ( 1.636 11.287 4.235) 12.166 10.983 ( -7.008 -9.611 -1.024) 11.939 11.313 ( 12.300 0.056 -1.317) 12.370 14.276 ( -5.373 6.223 1.793) 8.415 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 6.157 -4.195 -3.759) 8.345 2.918 ( -5.860 -0.222 3.457) 6.807 3.355 ( 2.004 -6.415 5.778) 8.863 3.738 ( -1.121 6.974 -4.550) 8.402 4.598 ( -6.540 -22.584 0.045) 23.512 5.639 ( 4.952 9.271 -0.519) 10.523 8.865 ( 5.557 -2.408 -1.083) 6.152 9.445 ( -3.977 -4.282 0.599) 5.874 10.034 ( 3.704 9.578 3.090) 10.724 10.685 ( -12.073 -15.900 -1.846) 20.050 11.402 ( 0.760 -2.928 -0.304) 3.040 14.346 ( 3.235 9.129 0.988) 9.736 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -5.212 -7.343 0.507) 9.019 2.920 ( 0.667 1.701 0.284) 1.849 3.325 ( 0.675 -3.339 1.366) 3.670 3.806 ( 1.443 4.138 -1.424) 4.608 4.221 ( -11.274 -19.046 0.096) 22.132 5.798 ( 3.585 6.431 -0.257) 7.367 8.979 ( 4.008 7.117 0.681) 8.196 9.333 ( -2.663 -6.864 -0.680) 7.394 10.181 ( 1.887 5.968 3.353) 7.100 10.299 ( -8.979 -18.236 -3.624) 20.647 11.314 ( -4.545 -6.468 0.844) 7.950 14.529 ( 6.149 9.498 -0.513) 11.327 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -5.771 -6.820 0.370) 8.942 2.915 ( -5.187 4.202 3.429) 7.504 3.344 ( 5.424 -2.667 -5.375) 8.088 3.721 ( -9.568 -11.560 -0.094) 15.007 3.988 ( -1.837 -0.379 1.735) 2.555 5.872 ( -1.531 4.909 0.171) 5.145 9.050 ( -10.117 12.568 -0.506) 16.142 9.224 ( -3.015 -5.234 -3.980) 7.234 10.026 ( 4.681 -16.344 3.878) 17.438 10.313 ( 4.855 1.848 -1.800) 5.498 11.162 ( -3.148 -9.724 1.250) 10.297 14.708 ( 4.568 7.784 -1.326) 9.122 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 0.000 0.868 0.138) 0.879 2.571 ( 0.000 -1.000 4.043) 4.165 3.109 ( -0.000 1.035 -2.359) 2.576 3.358 ( 0.000 2.343 -0.072) 2.344 4.284 ( 0.000 0.865 -0.125) 0.874 6.000 ( 0.000 4.224 -0.186) 4.228 8.769 ( 0.000 3.474 -2.275) 4.153 8.792 ( 0.000 2.237 -0.167) 2.243 10.215 ( 0.000 1.120 2.007) 2.298 10.507 ( 0.000 1.359 -0.004) 1.359 10.830 ( -0.000 -10.634 -0.479) 10.645 15.154 ( -0.000 1.479 -1.975) 2.467 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 6.510 0.059 0.094) 6.510 2.577 ( 1.228 -1.983 2.893) 3.716 3.126 ( -0.227 2.996 1.382) 3.307 3.476 ( 12.092 0.142 0.037) 12.093 4.261 ( -2.467 -0.783 -1.360) 2.924 6.007 ( -1.435 -0.174 -0.522) 1.537 8.807 ( -0.128 3.487 3.102) 4.669 8.932 ( 13.395 1.524 1.268) 13.541 10.213 ( 1.975 -5.498 -3.925) 7.038 10.394 ( -10.318 2.093 0.492) 10.539 10.882 ( 8.352 0.352 0.918) 8.410 15.093 ( -7.492 0.697 -1.785) 7.734 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 5.039 -1.827 -1.406) 5.541 2.616 ( 8.479 -2.187 2.571) 9.126 3.161 ( -1.142 4.292 4.533) 6.346 3.753 ( 20.627 -2.452 0.278) 20.774 4.179 ( -4.765 -1.891 -2.703) 5.796 5.940 ( -3.848 -4.026 -0.897) 5.640 8.835 ( -0.522 -0.186 4.589) 4.622 9.226 ( 17.067 0.213 1.984) 17.183 10.094 ( -4.965 -6.706 -3.992) 9.250 10.393 ( 4.519 8.018 0.229) 9.206 11.029 ( 5.657 2.598 0.545) 6.249 14.914 ( -13.118 0.574 -0.974) 13.166 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 3.722 -3.333 -1.817) 5.316 2.795 ( 12.686 -3.530 0.884) 13.198 3.195 ( -2.281 4.967 6.971) 8.858 4.035 ( -0.313 -5.769 -0.597) 5.808 4.113 ( 17.348 -2.761 -2.985) 17.819 5.799 ( -6.185 -5.654 -1.067) 8.448 8.798 ( -1.063 -6.237 1.280) 6.456 9.454 ( 10.157 -4.198 0.927) 11.030 9.982 ( -5.347 4.614 2.300) 7.428 10.664 ( 17.938 4.901 -0.792) 18.612 11.106 ( 0.218 2.344 -0.869) 2.509 14.679 ( -14.861 1.910 0.708) 15.000 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 5.305 -3.896 -3.192) 7.315 2.939 ( 8.478 -6.749 0.506) 10.848 3.236 ( -0.719 4.945 8.922) 10.226 3.905 ( -6.070 -1.103 -4.099) 7.407 4.375 ( 17.779 -13.140 -0.740) 22.120 5.648 ( -4.611 -2.741 -0.912) 5.441 8.712 ( 1.093 -9.165 -1.700) 9.385 9.496 ( 3.390 -8.865 -0.397) 9.500 10.024 ( -2.837 13.333 7.069) 15.356 10.938 ( 7.277 -10.426 2.310) 12.922 11.136 ( 4.404 9.965 -5.919) 12.399 14.487 ( -11.050 4.953 2.593) 12.383 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 6.472 -4.517 -4.234) 8.956 2.938 ( 0.800 -8.320 1.155) 8.438 3.318 ( 1.349 2.794 9.678) 10.163 3.812 ( -3.321 2.212 -4.970) 6.374 4.393 ( 4.331 -21.161 -0.839) 21.615 5.630 ( 3.214 2.070 -0.724) 3.891 8.684 ( 6.742 -7.547 -1.249) 10.197 9.434 ( 0.477 -9.148 0.445) 9.172 10.143 ( -2.057 13.419 6.422) 15.018 10.758 ( -10.631 -11.803 0.093) 15.885 11.318 ( 5.638 2.824 -4.782) 7.914 14.440 ( -3.084 8.234 3.213) 9.361 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 2.262 -7.534 -2.957) 8.404 2.873 ( 2.337 -5.750 -0.670) 6.243 3.363 ( -2.667 2.570 8.844) 9.589 3.805 ( 0.858 1.074 -3.326) 3.599 4.161 ( -4.578 -19.892 -1.332) 20.455 5.750 ( 6.961 2.198 -0.558) 7.322 8.801 ( 13.556 -3.774 0.835) 14.097 9.341 ( -1.706 -8.625 2.073) 9.033 10.236 ( -2.374 9.286 1.491) 9.700 10.412 ( -15.931 -8.988 0.216) 18.293 11.319 ( -3.031 -3.585 -3.039) 5.592 14.544 ( 3.166 9.349 2.296) 10.134 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -0.000 -0.781 0.438) 0.896 2.550 ( -0.000 -2.880 1.697) 3.343 3.177 ( 0.000 4.897 5.041) 7.028 3.361 ( -0.000 -2.158 0.141) 2.163 4.261 ( -0.000 -2.333 -2.634) 3.518 5.993 ( -0.000 -4.581 -0.859) 4.661 8.813 ( 0.000 -0.807 2.080) 2.231 8.881 ( 0.000 4.638 9.676) 10.730 10.126 ( -0.000 -5.683 -7.330) 9.275 10.490 ( -0.000 -2.448 -1.860) 3.075 10.856 ( 0.000 10.802 2.119) 11.008 15.155 ( -0.000 -0.154 -1.885) 1.891 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 6.099 -1.793 0.111) 6.358 2.530 ( 1.216 -3.902 0.529) 4.121 3.245 ( -0.701 5.700 7.892) 9.760 3.436 ( 12.008 -4.315 0.390) 12.766 4.201 ( -2.232 -3.574 -3.911) 5.749 5.914 ( -1.160 -8.826 -1.282) 8.993 8.853 ( 1.912 -2.719 4.596) 5.672 8.989 ( 7.959 0.108 8.756) 11.833 10.066 ( -0.217 -0.720 -5.766) 5.815 10.437 ( -1.106 -0.169 -1.526) 1.892 11.023 ( 2.992 12.832 0.307) 13.180 15.084 ( -6.912 -0.458 -1.480) 7.083 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 3.072 -4.041 -2.691) 5.746 2.564 ( 9.519 -4.362 1.334) 10.555 3.308 ( -1.720 5.500 9.668) 11.255 3.654 ( 18.986 -7.821 0.883) 20.552 4.100 ( -3.465 -3.387 -5.344) 7.214 5.778 ( -2.096 -11.646 -1.561) 11.936 8.796 ( -4.202 -6.412 3.614) 8.476 9.172 ( 13.842 -8.701 2.594) 16.554 10.097 ( -0.197 9.026 2.620) 9.401 10.489 ( 7.296 1.494 -0.680) 7.478 11.174 ( -0.242 12.771 -2.220) 12.964 14.920 ( -11.377 0.440 -0.097) 11.386 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 3.883 -5.116 -3.634) 7.380 2.696 ( 10.797 -6.943 0.389) 12.843 3.352 ( -2.445 4.803 10.637) 11.924 3.861 ( 12.438 -12.208 1.577) 17.499 4.024 ( 2.967 -2.731 -6.890) 7.983 5.625 ( -1.150 -11.322 -1.416) 11.468 8.645 ( -3.957 -8.836 0.170) 9.682 9.260 ( 9.727 -14.475 -0.987) 17.467 10.232 ( -1.267 15.328 9.497) 18.076 10.671 ( 12.173 -3.670 1.254) 12.776 11.258 ( -3.432 14.622 -5.987) 16.169 14.733 ( -11.752 2.741 2.097) 12.248 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 5.684 -5.458 -4.463) 9.056 2.766 ( 6.934 -10.662 -0.008) 12.718 3.396 ( -1.044 4.136 11.148) 11.936 3.840 ( -0.574 -4.832 -1.884) 5.218 4.073 ( 9.128 -13.915 -4.010) 17.118 5.543 ( 3.846 -7.752 -1.097) 8.723 8.532 ( 1.310 -7.893 -0.037) 8.001 9.239 ( 6.772 -16.187 -1.292) 17.594 10.380 ( -4.053 16.484 11.093) 20.278 10.730 ( 1.302 -10.770 1.799) 10.997 11.340 ( -1.587 14.685 -9.220) 17.412 14.614 ( -7.500 5.625 4.040) 10.209 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 5.975 -5.907 -4.413) 9.490 2.732 ( 3.488 -11.709 -0.568) 12.231 3.464 ( -0.220 3.813 11.857) 12.456 3.773 ( -0.557 -7.111 -1.654) 7.322 4.001 ( 1.415 -13.001 -4.863) 13.953 5.596 ( 9.310 -5.069 -0.909) 10.639 8.555 ( 9.059 -5.588 2.188) 10.866 9.181 ( 5.509 -16.358 0.606) 17.272 10.467 ( -7.542 14.538 8.861) 18.622 10.556 ( -9.000 -7.996 -0.797) 12.065 11.377 ( -5.014 7.305 -8.474) 12.261 14.620 ( -1.144 7.306 4.534) 8.675 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -0.000 -2.605 0.453) 2.644 2.477 ( -0.000 -4.911 -0.724) 4.964 3.276 ( -0.000 -6.535 0.311) 6.543 3.343 ( 0.000 6.347 10.665) 12.411 4.163 ( -0.000 -4.995 -4.986) 7.058 5.806 ( -0.000 -13.656 -1.718) 13.764 8.770 ( -0.000 -5.648 2.905) 6.351 8.983 ( 0.000 -3.276 10.818) 11.303 10.087 ( 0.000 7.947 -1.149) 8.030 10.407 ( -0.000 -3.786 -2.514) 4.544 11.163 ( 0.000 18.566 -1.627) 18.637 15.130 ( -0.000 -1.038 -1.682) 1.976 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 5.246 -3.807 -0.366) 6.492 2.428 ( 1.330 -6.245 -1.561) 6.573 3.297 ( 10.349 -8.436 0.892) 13.382 3.430 ( -0.257 4.224 11.505) 12.259 4.083 ( -1.410 -4.810 -5.717) 7.603 5.644 ( -0.050 -17.552 -2.083) 17.675 8.757 ( 3.466 -9.082 1.910) 9.907 8.942 ( 1.194 -9.264 4.610) 10.416 10.217 ( 0.317 14.393 6.435) 15.770 10.402 ( 3.780 -0.396 0.152) 3.804 11.338 ( -0.980 19.227 -4.684) 19.814 15.065 ( -5.779 -0.585 -0.940) 5.884 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 2.451 -6.635 -3.950) 8.101 2.459 ( 8.787 -6.739 0.100) 11.075 3.426 ( 9.696 -5.993 4.598) 12.291 3.484 ( 4.928 -5.490 7.398) 10.448 4.003 ( -1.626 -1.875 -5.431) 5.972 5.463 ( 1.494 -19.155 -2.070) 19.324 8.648 ( -4.804 -8.989 -0.025) 10.192 8.925 ( 9.418 -15.868 -0.160) 18.453 10.376 ( 3.747 7.993 3.972) 9.680 10.547 ( 3.937 9.439 11.143) 15.125 11.468 ( -3.640 19.337 -8.449) 21.414 14.936 ( -8.903 1.069 0.961) 9.018 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 4.599 -7.350 -4.577) 9.804 2.529 ( 8.297 -9.811 -0.643) 12.865 3.461 ( -0.716 -1.940 9.300) 9.527 3.578 ( 14.128 -16.713 1.184) 21.916 3.963 ( -1.367 1.329 -4.333) 4.734 5.332 ( 5.763 -17.533 -1.750) 18.539 8.485 ( -3.724 -6.888 -0.003) 7.831 8.911 ( 9.486 -19.253 -1.653) 21.526 10.526 ( 6.487 0.610 1.523) 6.692 10.707 ( -3.574 12.241 16.709) 21.019 11.552 ( -5.422 19.957 -12.465) 24.146 14.811 ( -8.492 3.341 3.509) 9.777 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 6.837 -7.094 -4.714) 10.922 2.533 ( 5.391 -12.387 -0.763) 13.531 3.466 ( 3.191 -6.894 7.371) 10.585 3.600 ( 6.868 -15.083 2.413) 16.748 3.942 ( -2.252 2.807 -3.980) 5.366 5.320 ( 11.661 -14.113 -1.467) 18.366 8.416 ( 2.254 -4.545 2.412) 5.618 8.871 ( 9.079 -19.665 -0.450) 21.665 10.552 ( -0.566 -6.573 -0.376) 6.608 10.792 ( -7.833 15.571 16.044) 23.690 11.585 ( -8.280 17.251 -14.690) 24.124 14.749 ( -4.880 4.991 5.512) 8.894 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -0.000 -4.772 -0.041) 4.772 2.344 ( -0.000 -7.681 -3.030) 8.257 3.110 ( -0.000 -10.462 0.455) 10.472 3.502 ( 0.000 0.562 11.675) 11.688 4.034 ( -0.000 -3.448 -4.758) 5.876 5.435 ( -0.000 -22.610 -2.561) 22.755 8.604 ( -0.000 -12.854 1.553) 12.947 8.872 ( -0.000 -9.322 0.569) 9.340 10.345 ( -0.000 -0.682 -1.297) 1.465 10.439 ( 0.000 20.644 16.299) 26.303 11.532 ( 0.000 21.239 -7.957) 22.680 15.102 ( -0.000 -0.715 -1.073) 1.289 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 1.115 -8.852 -4.343) 9.923 2.274 ( 4.814 -6.869 -0.474) 8.401 3.090 ( 10.037 -12.586 0.524) 16.107 3.496 ( -0.784 -6.385 7.965) 10.239 4.005 ( -0.658 0.965 -1.122) 1.619 5.201 ( 1.950 -25.783 -2.777) 26.005 8.513 ( 4.929 -16.094 -0.396) 16.836 8.753 ( -2.615 -8.605 -1.853) 9.183 10.356 ( 1.514 1.857 -0.030) 2.396 10.727 ( 1.557 20.351 21.940) 29.966 11.695 ( -2.353 21.813 -11.754) 24.890 15.057 ( -4.350 0.209 0.015) 4.355 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 3.356 -10.440 -4.867) 11.997 2.301 ( 7.015 -8.939 -1.399) 11.449 3.168 ( 13.986 -15.892 0.520) 21.176 3.424 ( 0.750 -9.951 4.298) 10.865 4.016 ( -1.476 3.983 2.194) 4.781 5.002 ( 6.420 -26.050 -2.705) 26.965 8.430 ( 3.611 -14.810 -2.127) 15.391 8.631 ( -0.186 -9.638 -1.141) 9.707 10.427 ( 4.184 1.318 0.777) 4.455 10.979 ( -2.363 16.591 23.561) 28.913 11.812 ( -4.856 22.984 -15.536) 28.164 14.975 ( -6.388 1.847 2.309) 7.039 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 6.667 -10.725 -4.687) 13.470 2.312 ( 6.254 -11.274 -1.548) 12.985 3.207 ( 9.972 -19.546 1.247) 21.978 3.392 ( 6.042 -9.153 2.108) 11.168 4.036 ( -2.723 5.301 3.114) 6.724 4.914 ( 13.226 -23.348 -2.482) 26.948 8.353 ( 2.958 -9.987 -0.655) 10.436 8.553 ( 3.741 -12.061 0.554) 12.640 10.491 ( 2.062 -1.354 0.299) 2.484 11.115 ( -6.155 13.128 21.822) 26.200 11.878 ( -8.442 22.783 -18.570) 30.581 14.903 ( -5.988 3.246 5.052) 8.481 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -0.000 -11.551 -5.312) 12.713 2.159 ( -0.000 -7.826 -1.173) 7.914 2.877 ( -0.000 -13.169 0.644) 13.185 3.416 ( -0.000 -13.507 2.946) 13.825 4.039 ( 0.000 3.215 4.224) 5.309 4.894 ( -0.000 -30.074 -3.450) 30.271 8.291 ( -0.000 -18.667 -0.504) 18.674 8.706 ( -0.000 -4.761 -4.515) 6.562 10.376 ( 0.000 3.956 0.484) 3.986 10.991 ( 0.000 19.503 27.374) 33.611 11.898 ( 0.000 23.504 -15.061) 27.916 15.093 ( 0.000 0.147 -0.004) 0.147 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 1.746 -13.646 -6.036) 15.023 2.106 ( 4.328 -9.929 -2.109) 11.035 2.823 ( 8.447 -14.372 0.645) 16.683 3.277 ( 1.435 -16.485 0.416) 16.552 4.080 ( -0.181 1.600 7.220) 7.397 4.613 ( 4.092 -30.241 -4.251) 30.811 8.142 ( 4.979 -20.019 -1.579) 20.690 8.638 ( -3.105 -0.483 -4.015) 5.098 10.426 ( 0.318 4.814 1.228) 4.979 11.238 ( -1.137 13.579 27.621) 30.799 12.069 ( -2.765 26.113 -16.941) 31.250 15.073 ( -2.852 0.823 1.316) 3.247 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 5.358 -14.847 -5.597) 16.747 2.086 ( 6.342 -11.865 -2.429) 13.671 2.847 ( 10.653 -16.455 0.700) 19.615 3.173 ( 5.671 -15.575 -0.366) 16.579 4.112 ( 1.398 -1.500 8.496) 8.740 4.435 ( 9.505 -25.854 -5.316) 28.054 8.053 ( 8.358 -19.728 -1.872) 21.507 8.573 ( -5.067 3.033 -1.137) 6.014 10.480 ( 0.428 3.447 1.185) 3.670 11.373 ( -3.708 7.475 23.373) 24.817 12.204 ( -7.116 27.448 -17.316) 33.225 15.031 ( -4.171 1.768 3.719) 5.861 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -0.000 -16.135 -7.630) 17.848 1.947 ( -0.000 -13.037 -2.847) 13.344 2.618 ( -0.000 -13.045 0.915) 13.077 3.075 ( -0.000 -20.487 -1.199) 20.522 4.027 ( -0.000 -21.851 8.219) 23.345 4.330 ( -0.000 -11.901 -4.172) 12.611 7.897 ( -0.000 -19.819 -1.486) 19.875 8.670 ( 0.000 4.587 -4.830) 6.661 10.492 ( 0.000 6.813 1.312) 6.939 11.434 ( 0.000 6.781 26.046) 26.914 12.320 ( 0.000 29.735 -14.739) 33.187 15.103 ( 0.000 0.140 1.314) 1.321 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 2.775 -18.145 -7.695) 19.904 1.842 ( 5.356 -15.537 -3.327) 16.768 2.556 ( 6.323 -12.654 0.871) 14.172 2.897 ( 4.667 -21.533 -1.431) 22.080 3.794 ( 8.332 -36.323 3.591) 37.439 4.292 ( -0.888 1.527 0.148) 1.773 7.742 ( 4.707 -18.783 -1.565) 19.427 8.701 ( -3.142 9.153 -3.031) 10.140 10.548 ( -1.683 6.430 1.455) 6.805 11.522 ( -1.528 0.323 19.688) 19.750 12.551 ( -4.442 31.131 -11.228) 33.391 15.096 ( -1.303 0.014 2.551) 2.864 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -0.000 -20.174 -9.256) 22.196 1.599 ( -0.000 -20.080 -4.209) 20.517 2.395 ( -0.000 -9.860 0.826) 9.895 2.604 ( -0.000 -27.258 -1.216) 27.285 3.343 ( -0.000 -39.344 2.011) 39.395 4.328 ( 0.000 2.591 1.327) 2.911 7.522 ( -0.000 -16.839 -1.277) 16.887 8.836 ( 0.000 14.191 -1.998) 14.331 10.643 ( 0.000 7.383 1.190) 7.478 11.554 ( 0.000 -5.812 13.286) 14.502 12.883 ( 0.000 32.247 -5.186) 32.661 15.101 ( 0.000 -1.825 2.379) 2.998 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 0.000 -0.000 21.928) 21.928 0.409 ( 0.000 -0.000 21.928) 21.928 0.867 ( 0.000 -0.000 47.003) 47.003 2.091 ( -0.000 0.000 -2.703) 2.703 2.091 ( -0.000 0.000 -2.703) 2.703 5.134 ( -0.000 0.000 -9.064) 9.064 7.021 ( 0.000 -0.000 1.929) 1.929 7.021 ( 0.000 -0.000 1.929) 1.929 10.904 ( -0.000 0.000 -1.065) 1.065 10.904 ( -0.000 0.000 -1.065) 1.065 14.276 ( 0.000 -0.000 0.818) 0.818 14.452 ( -0.000 0.000 -0.424) 0.424 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 17.955 10.366 12.537) 24.228 0.850 ( 13.535 7.814 24.175) 28.787 1.341 ( 31.100 17.955 26.860) 44.845 2.112 ( 2.645 1.527 -3.147) 4.385 2.235 ( 12.493 7.213 -3.249) 14.787 4.526 ( -14.266 -8.237 5.374) 17.328 7.084 ( 4.931 2.847 2.098) 6.069 8.812 ( 60.038 34.663 -51.509) 86.367 10.697 ( -8.417 -4.860 -10.709) 14.462 10.870 ( -2.754 -1.590 -1.062) 3.353 14.112 ( -14.549 -8.400 5.965) 17.827 14.667 ( 13.460 7.771 -10.870) 18.966 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 20.001 11.548 7.077) 24.155 1.187 ( 11.407 6.586 21.778) 25.451 2.163 ( 30.952 17.870 14.328) 38.506 2.194 ( 5.498 3.174 -3.435) 7.218 2.642 ( 25.149 14.520 -3.082) 29.202 4.346 ( -4.646 -2.682 -3.381) 6.341 7.255 ( 9.509 5.490 1.904) 11.144 9.188 ( -8.688 -5.016 -2.736) 10.398 10.734 ( 15.973 9.222 -35.577) 40.074 10.779 ( -4.868 -2.811 -0.982) 5.707 13.745 ( -19.342 -11.167 12.693) 25.689 14.848 ( 5.415 3.126 -12.481) 13.960 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 12.977 7.492 14.658) 20.961 1.602 ( 16.777 9.686 4.636) 19.919 2.345 ( 8.811 5.087 -3.312) 10.699 2.748 ( 19.146 11.054 7.451) 23.330 3.349 ( 34.218 19.756 -1.896) 39.557 4.256 ( -1.888 -1.090 -5.075) 5.524 7.522 ( 13.355 7.711 1.282) 15.474 8.827 ( -18.219 -10.518 1.954) 21.128 10.653 ( -5.679 -3.279 -0.730) 6.598 10.985 ( 12.222 7.056 -30.586) 33.685 13.327 ( -21.382 -12.345 17.973) 30.539 14.858 ( -0.428 -0.247 -12.863) 12.873 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 14.049 8.111 9.459) 18.779 1.934 ( 11.383 6.572 2.619) 13.403 2.574 ( 11.878 6.858 -2.389) 13.921 3.134 ( 13.533 7.813 3.198) 15.950 3.955 ( 12.638 7.296 -10.681) 18.084 4.352 ( 17.508 10.108 4.434) 20.697 7.858 ( 15.644 9.032 0.275) 18.066 8.476 ( -11.521 -6.652 -2.024) 13.457 10.527 ( -5.014 -2.895 -0.198) 5.793 11.063 ( 1.876 1.083 -23.837) 23.935 12.875 ( -23.683 -13.674 19.671) 33.687 14.788 ( -1.704 -0.984 -11.459) 11.627 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 7.301 4.215 0.961) 8.485 2.208 ( 13.824 7.981 6.660) 17.296 2.847 ( 12.037 6.950 -1.288) 13.959 3.371 ( 7.043 4.066 -3.791) 8.973 4.006 ( 0.277 0.160 -4.936) 4.947 4.915 ( 24.573 14.187 3.781) 28.625 8.216 ( 15.518 8.959 -0.985) 17.946 8.320 ( -0.905 -0.522 -5.134) 5.239 10.433 ( -3.176 -1.834 0.669) 3.728 10.947 ( -5.713 -3.299 -18.425) 19.571 12.354 ( -27.044 -15.614 16.190) 35.175 14.742 ( 0.487 0.281 -7.262) 7.284 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 4.844 2.797 0.045) 5.594 2.526 ( 12.518 7.227 5.306) 15.397 3.093 ( 9.577 5.529 -0.655) 11.078 3.422 ( -0.211 -0.122 -12.145) 12.148 4.018 ( 1.147 0.662 3.605) 3.840 5.416 ( 18.359 10.600 2.400) 21.335 8.404 ( 9.574 5.528 -6.843) 13.002 8.538 ( 12.837 7.411 -2.216) 14.987 10.390 ( -1.050 -0.606 1.716) 2.102 10.722 ( -9.507 -5.489 -12.193) 16.407 11.757 ( -28.199 -16.281 9.940) 34.045 14.766 ( 2.682 1.549 -2.401) 3.919 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 2.908 1.679 -0.378) 3.379 2.806 ( 10.672 6.161 4.341) 13.065 3.271 ( 6.031 3.482 -0.343) 6.973 3.317 ( -4.606 -2.659 -14.399) 15.350 4.066 ( 1.238 0.715 5.900) 6.070 5.759 ( 11.280 6.512 1.656) 13.130 8.695 ( 17.573 10.146 -8.130) 21.859 8.775 ( 8.568 4.947 -2.926) 10.317 10.388 ( 0.047 0.027 2.482) 2.483 10.435 ( -14.536 -8.393 -3.377) 17.122 11.197 ( -20.655 -11.925 3.066) 24.047 14.833 ( 2.997 1.730 1.181) 3.656 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 1.039 0.600 -0.532) 1.312 2.981 ( 0.202 0.117 -1.682) 1.698 3.214 ( 3.217 1.858 -8.071) 8.885 3.363 ( 2.129 1.229 -0.165) 2.464 4.091 ( -0.815 -0.470 4.925) 5.014 5.935 ( 3.650 2.107 1.241) 4.394 8.908 ( 3.889 2.245 -2.712) 5.246 9.125 ( 21.666 12.509 -10.326) 27.065 10.021 ( -20.784 -11.999 5.646) 24.654 10.393 ( -0.539 -0.311 2.500) 2.576 10.910 ( -4.889 -2.822 -1.226) 5.777 14.896 ( 1.817 1.049 3.460) 4.046 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -0.864 -0.499 -0.512) 1.121 2.829 ( -8.450 -4.878 -7.657) 12.403 3.366 ( -1.832 -1.058 -0.028) 2.116 3.406 ( 11.197 6.464 -1.178) 12.982 4.049 ( -4.122 -2.380 3.917) 6.165 5.930 ( -4.382 -2.530 1.063) 5.170 8.934 ( -1.132 -0.653 -1.621) 2.082 9.373 ( -10.027 -5.789 -1.625) 11.692 9.816 ( 14.705 8.490 -1.327) 17.032 10.373 ( -1.655 -0.956 1.695) 2.555 10.922 ( 5.149 2.973 -0.412) 5.960 14.934 ( 0.417 0.241 5.070) 5.093 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -2.829 -1.633 -0.347) 3.285 2.602 ( -9.567 -5.523 -6.092) 12.615 3.280 ( -5.649 -3.261 0.105) 6.523 3.662 ( 11.424 6.596 -2.238) 13.380 3.926 ( -7.669 -4.428 4.153) 9.781 5.743 ( -12.275 -7.087 1.017) 14.210 8.840 ( -7.033 -4.061 -0.122) 8.123 9.022 ( -16.320 -9.422 7.547) 20.300 10.333 ( 27.065 15.626 -10.170) 32.865 10.339 ( -1.250 -0.722 0.417) 1.502 11.104 ( 10.133 5.850 0.362) 11.706 14.954 ( 0.018 0.010 6.347) 6.347 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -4.981 -2.876 -0.001) 5.752 2.356 ( -10.863 -6.272 -3.313) 12.973 3.113 ( -9.002 -5.198 0.232) 10.398 3.715 ( -10.357 -5.980 -0.652) 11.977 3.911 ( 9.356 5.402 1.238) 10.874 5.380 ( -19.921 -11.501 0.977) 23.023 8.612 ( -12.998 -7.504 1.050) 15.045 8.733 ( -10.941 -6.317 8.919) 15.465 10.335 ( 1.164 0.672 -0.681) 1.506 10.934 ( 28.575 16.498 -12.447) 35.265 11.349 ( 10.507 6.066 0.849) 12.162 14.983 ( 0.948 0.548 6.912) 6.998 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -12.971 -7.489 0.202) 14.979 2.142 ( -7.765 -4.483 0.679) 8.992 2.881 ( -11.208 -6.471 0.254) 12.944 3.433 ( -14.305 -8.259 0.488) 16.526 4.103 ( 7.229 4.174 -1.972) 8.577 4.846 ( -27.180 -15.692 1.347) 31.414 8.272 ( -16.783 -9.690 1.489) 19.437 8.591 ( -3.504 -2.023 7.672) 8.674 10.392 ( 4.018 2.320 -1.195) 4.791 11.503 ( 17.966 10.372 -27.274) 34.267 11.609 ( 18.327 10.581 16.068) 26.571 15.039 ( 2.063 1.191 5.840) 6.307 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -15.508 -8.954 4.272) 18.410 1.924 ( -12.026 -6.943 2.021) 14.032 2.622 ( -11.084 -6.399 -0.084) 12.799 3.067 ( -18.030 -10.410 0.437) 20.824 4.098 ( -24.211 -13.978 -7.087) 28.841 4.288 ( -4.547 -2.625 4.875) 7.165 7.884 ( -17.175 -9.916 1.426) 19.883 8.626 ( 4.893 2.825 4.962) 7.519 10.504 ( 5.931 3.425 -1.273) 6.966 11.620 ( 2.403 1.388 -12.287) 12.597 12.227 ( 28.334 16.359 3.242) 32.877 15.097 ( 1.497 0.864 2.600) 3.122 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.000 21.328 15.041) 26.098 0.915 ( 0.000 24.294 17.243) 29.791 1.374 ( 0.000 25.893 32.924) 41.887 2.106 ( -0.000 3.254 -3.574) 4.834 2.217 ( 0.000 13.969 -3.768) 14.468 4.538 ( -0.000 -17.962 3.389) 18.278 7.090 ( 0.000 5.814 2.303) 6.254 8.621 ( 0.000 68.718 -44.683) 81.968 10.758 ( -0.000 -3.522 -10.504) 11.079 10.859 ( -0.000 -3.617 -1.421) 3.887 14.110 ( -0.000 -18.526 5.751) 19.399 14.624 ( 0.000 14.075 -9.302) 16.871 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 6.421 22.242 10.991) 25.627 1.226 ( 4.678 14.180 22.235) 26.783 1.967 ( 21.756 28.664 18.276) 40.360 2.160 ( 2.826 5.473 -3.794) 7.234 2.479 ( 12.486 20.208 -4.008) 24.090 4.370 ( -3.790 -6.549 -3.041) 8.155 7.211 ( 4.757 8.706 2.349) 10.195 9.117 ( 9.794 7.347 -12.795) 17.710 10.630 ( -4.530 8.029 -23.386) 25.138 10.829 ( -0.676 0.924 -6.495) 6.595 13.853 ( -8.274 -21.372 10.448) 25.187 14.774 ( 4.799 8.641 -11.936) 15.498 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 7.739 12.609 16.966) 22.511 1.538 ( 9.223 17.784 8.855) 21.903 2.286 ( 5.518 8.685 -3.817) 10.975 2.585 ( 17.745 16.279 9.416) 25.856 3.048 ( 26.332 27.515 -2.090) 38.142 4.261 ( -2.322 -2.329 -6.101) 6.931 7.434 ( 8.818 11.527 2.113) 14.666 8.991 ( -12.627 -13.752 3.283) 18.956 10.623 ( 1.917 -3.026 -9.839) 10.471 10.864 ( 3.212 12.820 -24.634) 27.955 13.502 ( -12.467 -21.261 15.392) 29.058 14.838 ( 0.097 3.555 -12.898) 13.379 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 9.401 10.942 12.863) 19.328 1.874 ( 8.472 13.510 4.645) 16.609 2.498 ( 8.108 12.653 -2.957) 15.316 2.999 ( 13.703 10.358 4.520) 17.762 3.736 ( 22.249 18.744 -6.798) 29.876 4.252 ( 5.417 5.267 -0.930) 7.613 7.742 ( 11.638 13.868 1.529) 18.169 8.620 ( -14.562 -10.280 0.712) 17.839 10.556 ( -2.112 -4.537 -1.635) 5.265 10.955 ( 3.781 4.814 -25.422) 26.148 13.104 ( -15.973 -20.853 18.085) 31.891 14.790 ( -2.913 1.097 -12.281) 12.670 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 10.094 9.922 7.022) 15.800 2.117 ( 6.466 9.671 4.064) 12.323 2.777 ( 8.808 14.837 -1.645) 17.332 3.276 ( 8.522 5.419 -1.207) 10.171 3.966 ( 3.061 1.792 -8.416) 9.132 4.677 ( 22.614 17.876 4.385) 29.158 8.096 ( 12.182 14.602 0.629) 19.027 8.360 ( -6.752 -2.858 -2.738) 7.826 10.475 ( -3.092 -1.725 -0.106) 3.542 10.910 ( -1.331 -3.457 -20.536) 20.867 12.642 ( -20.844 -20.472 16.255) 33.434 14.721 ( -1.300 0.173 -8.891) 8.987 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 3.054 7.931 0.725) 8.529 2.411 ( 11.535 8.324 6.485) 15.633 3.056 ( 6.802 14.503 -0.941) 16.046 3.377 ( 1.851 0.794 -9.591) 9.800 4.003 ( 2.188 0.929 0.597) 2.451 5.216 ( 19.630 13.832 2.882) 24.186 8.303 ( 4.453 2.629 -4.011) 6.545 8.460 ( 9.557 15.550 -1.265) 18.296 10.421 ( -2.499 0.187 0.788) 2.627 10.744 ( -5.032 -6.825 -15.058) 17.282 12.089 ( -25.722 -18.722 10.910) 33.633 14.710 ( 2.544 -0.657 -3.868) 4.676 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 1.045 6.975 -0.026) 7.053 2.694 ( 10.927 6.498 4.887) 13.620 3.264 ( 2.281 7.717 -4.617) 9.278 3.332 ( -2.128 3.638 -9.912) 10.771 4.058 ( 2.029 0.323 5.226) 5.615 5.621 ( 13.965 8.456 2.039) 16.452 8.489 ( 13.251 7.115 -5.517) 16.020 8.743 ( 6.185 14.419 -2.232) 15.848 10.391 ( -1.247 -1.024 1.339) 2.097 10.531 ( -7.962 -7.172 -7.756) 13.228 11.504 ( -25.619 -12.721 5.019) 29.041 14.761 ( 5.081 -1.911 0.330) 5.438 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -0.891 6.032 -0.416) 6.112 2.927 ( 7.449 3.166 2.592) 8.498 3.179 ( -2.323 -1.585 -12.962) 13.263 3.430 ( -1.518 12.423 -0.382) 12.521 4.096 ( 0.741 -1.254 5.466) 5.657 5.868 ( 7.566 3.274 1.559) 8.390 8.837 ( 19.182 9.163 -6.775) 22.312 8.931 ( 1.912 11.786 -3.539) 12.454 10.242 ( -15.977 -9.453 3.148) 18.829 10.369 ( 0.984 -3.861 -0.110) 3.986 11.081 ( -15.358 -0.218 -0.125) 15.360 14.833 ( 5.349 -3.249 3.011) 6.945 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -2.782 4.788 -0.569) 5.566 2.889 ( -6.602 -4.427 -7.278) 10.777 3.271 ( 10.429 5.452 -3.029) 12.152 3.481 ( -5.723 10.429 -0.113) 11.897 4.083 ( -1.687 -3.276 4.758) 6.018 5.949 ( 0.301 -1.509 1.311) 2.022 9.001 ( -3.239 7.565 -2.303) 8.545 9.233 ( 17.380 3.480 -9.604) 20.160 9.883 ( -14.129 -3.419 7.317) 16.274 10.365 ( 2.060 -2.720 1.093) 3.583 10.961 ( -4.136 7.104 -1.446) 8.347 14.891 ( 4.245 -4.140 4.661) 7.542 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -4.530 3.105 -0.543) 5.519 2.688 ( -8.700 -4.440 -6.572) 11.773 3.438 ( -9.383 7.714 -0.202) 12.149 3.514 ( 11.470 5.804 -3.320) 13.276 4.001 ( -4.806 -5.066 4.940) 8.554 5.856 ( -7.552 -5.552 1.253) 9.457 8.945 ( -7.291 -0.005 -0.804) 7.335 9.201 ( -11.728 -7.954 2.179) 14.338 10.014 ( 18.589 11.741 -4.600) 22.462 10.385 ( 0.538 2.606 0.484) 2.705 11.036 ( 4.517 7.298 -0.655) 8.607 14.927 ( 3.151 -4.092 5.713) 7.702 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -6.122 0.762 -0.381) 6.181 2.472 ( -10.032 -3.707 -3.834) 11.362 3.306 ( -13.275 5.134 0.126) 14.233 3.727 ( 6.602 2.282 -9.365) 11.683 3.873 ( -3.524 -3.706 9.375) 10.679 5.591 ( -15.661 -8.721 1.282) 17.971 8.758 ( -10.262 -6.417 2.295) 12.319 8.917 ( -14.817 -4.073 4.852) 16.115 10.317 ( 3.616 1.806 -0.898) 4.141 10.609 ( 21.610 15.919 -10.890) 28.966 11.231 ( 9.959 5.593 1.362) 11.503 14.960 ( 2.977 -2.981 6.044) 7.367 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -10.233 -4.947 -0.323) 11.370 2.268 ( -9.761 -0.035 0.064) 9.761 3.093 ( -15.817 2.352 0.203) 15.992 3.582 ( -11.235 -6.610 -1.422) 13.113 3.999 ( 8.607 3.199 -0.335) 9.189 5.159 ( -23.948 -11.179 1.477) 26.470 8.492 ( -15.811 -5.564 1.911) 16.870 8.674 ( -8.550 -4.785 6.267) 11.631 10.364 ( 1.519 2.978 -0.912) 3.465 11.145 ( 25.744 14.011 -21.248) 36.201 11.481 ( 12.553 4.457 10.082) 16.706 15.010 ( 3.413 -1.454 4.997) 6.224 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -14.239 -5.814 3.270) 15.724 2.090 ( -11.407 -1.583 1.481) 11.611 2.826 ( -16.429 0.157 -0.062) 16.429 3.278 ( -16.025 -7.226 0.199) 17.580 4.139 ( 4.491 1.656 -5.369) 7.193 4.577 ( -30.064 -12.185 3.384) 32.615 8.127 ( -19.776 -5.974 1.615) 20.722 8.596 ( 1.051 -1.688 5.060) 5.437 10.438 ( 4.158 2.842 -1.328) 5.209 11.479 ( 10.874 3.733 -24.000) 26.611 11.922 ( 25.458 11.026 14.269) 31.198 15.069 ( 3.045 -0.668 2.038) 3.725 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.000 21.186 10.576) 23.679 1.410 ( 0.000 15.596 20.840) 26.030 2.148 ( 0.000 32.143 16.573) 36.164 2.177 ( 0.000 6.595 -4.458) 7.960 2.600 ( 0.000 28.451 -3.995) 28.730 4.323 ( -0.000 -6.008 -5.031) 7.837 7.277 ( 0.000 11.626 2.361) 11.864 9.069 ( -0.000 2.025 -4.531) 4.963 10.750 ( -0.000 -6.262 -1.566) 6.455 10.760 ( -0.000 14.449 -31.545) 34.697 13.709 ( -0.000 -26.250 11.890) 28.817 14.795 ( -0.000 9.825 -11.813) 15.365 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 2.833 16.546 13.347) 21.446 1.643 ( 3.459 16.311 14.006) 21.776 2.280 ( 4.497 9.636 -4.363) 11.494 2.561 ( 9.392 21.545 9.335) 25.289 3.017 ( 12.430 35.120 -2.230) 37.321 4.247 ( -1.186 -2.538 -6.692) 7.254 7.454 ( 4.788 14.379 2.349) 15.336 9.005 ( -3.842 -12.080 4.258) 13.372 10.600 ( -4.955 -1.640 -9.648) 10.969 10.856 ( 3.273 9.273 -25.361) 27.201 13.445 ( -4.455 -26.948 14.820) 31.076 14.849 ( -0.010 6.514 -12.273) 13.895 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 4.213 12.535 13.969) 19.236 1.918 ( 5.682 14.902 6.838) 17.352 2.495 ( 7.851 14.721 -3.218) 16.991 2.921 ( 10.071 13.798 4.205) 17.592 3.597 ( 16.656 26.253 -5.231) 31.528 4.232 ( 2.445 5.207 -3.072) 6.521 7.732 ( 8.548 17.065 2.415) 19.238 8.745 ( -11.724 -11.947 2.859) 16.981 10.513 ( -0.120 -3.452 -4.856) 5.959 10.888 ( 1.393 3.846 -24.295) 24.637 13.123 ( -8.056 -26.496 16.795) 32.389 14.831 ( -3.345 3.427 -12.052) 12.968 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 6.877 11.231 10.145) 16.624 2.151 ( 4.393 11.520 4.344) 13.072 2.798 ( 8.503 18.551 -1.774) 20.484 3.190 ( 8.064 7.156 -0.749) 10.807 3.901 ( 4.915 5.395 -9.263) 11.793 4.542 ( 16.516 20.794 3.865) 26.835 8.079 ( 9.951 18.535 2.350) 21.168 8.464 ( -9.953 -4.683 -0.723) 11.024 10.482 ( 0.335 -1.692 -1.421) 2.235 10.824 ( -0.755 -3.814 -21.216) 21.570 12.745 ( -12.278 -25.583 15.947) 32.551 14.748 ( -4.404 1.250 -10.097) 11.086 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 2.759 10.737 1.761) 11.225 2.347 ( 8.538 9.078 8.242) 14.941 3.109 ( 6.328 18.025 -1.371) 19.152 3.321 ( 3.616 2.750 -7.712) 8.951 3.973 ( 2.831 2.509 -1.526) 4.079 5.054 ( 17.767 17.312 2.890) 24.974 8.290 ( -0.944 2.421 -1.167) 2.849 8.488 ( 7.734 19.178 0.456) 20.684 10.472 ( -1.702 1.612 -0.277) 2.360 10.676 ( -1.902 -8.359 -16.778) 18.841 12.292 ( -17.590 -23.025 11.798) 31.285 14.670 ( -1.357 -1.114 -6.204) 6.448 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.606 10.087 1.027) 10.157 2.604 ( 9.236 7.331 5.821) 13.150 3.253 ( 0.174 -0.204 -10.745) 10.748 3.431 ( 2.073 17.426 -2.638) 17.746 4.043 ( 2.160 1.526 3.923) 4.731 5.474 ( 14.373 10.328 2.066) 17.819 8.369 ( 6.810 6.183 -2.475) 9.525 8.811 ( 5.843 19.706 0.100) 20.554 10.413 ( -3.734 -3.785 -5.670) 7.773 10.544 ( -2.660 -2.608 -5.076) 6.296 11.785 ( -20.963 -16.607 6.164) 27.445 14.650 ( 3.295 -3.979 -1.912) 5.509 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -1.642 9.727 0.210) 9.867 2.834 ( 8.501 4.552 3.949) 10.420 3.166 ( -2.638 -2.229 -13.106) 13.554 3.618 ( -1.368 18.286 -0.420) 18.342 4.089 ( 0.561 -0.105 5.026) 5.058 5.757 ( 9.940 3.813 1.677) 10.778 8.616 ( 14.020 8.429 -3.566) 16.743 9.051 ( 0.996 16.671 -0.946) 16.728 10.295 ( 0.050 -7.244 -5.618) 9.167 10.424 ( -11.164 -1.325 2.897) 11.610 11.352 ( -16.952 -4.224 0.784) 17.488 14.684 ( 6.501 -6.520 1.347) 9.305 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -3.991 8.447 -0.391) 9.351 2.919 ( -2.584 -2.587 -4.149) 5.530 3.154 ( 6.803 4.367 -5.716) 9.900 3.729 ( -5.863 16.681 0.350) 17.685 4.086 ( -1.317 -2.220 4.410) 5.110 5.897 ( 4.558 -1.529 1.466) 5.026 8.943 ( 15.600 4.486 -6.443) 17.464 9.165 ( -2.931 12.238 -0.119) 12.584 10.154 ( -16.711 -2.325 4.802) 17.542 10.270 ( 3.786 -2.467 -1.049) 4.639 11.147 ( -9.135 5.963 -2.165) 11.121 14.740 ( 7.418 -7.922 3.373) 11.365 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -5.881 5.180 -0.899) 7.888 2.779 ( -7.659 -1.170 -5.719) 9.630 3.351 ( 10.897 4.527 -4.099) 12.492 3.745 ( -10.804 15.014 0.954) 18.522 4.026 ( -3.139 -4.654 4.151) 6.982 5.890 ( -1.958 -5.307 1.348) 5.815 9.007 ( -2.658 -7.408 -3.345) 8.551 9.288 ( -0.330 8.263 -0.059) 8.270 9.980 ( -2.839 7.879 0.914) 8.424 10.359 ( 4.992 3.489 1.527) 6.279 11.098 ( -3.574 6.728 -2.790) 8.113 14.797 ( 6.921 -7.823 4.409) 11.338 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -6.917 0.116 -1.273) 7.034 2.622 ( -9.919 2.504 -2.986) 10.657 3.552 ( 7.127 3.613 -6.793) 10.488 3.670 ( -12.266 12.309 0.153) 17.378 3.921 ( -4.135 -6.111 6.352) 9.736 5.734 ( -9.448 -7.354 1.302) 12.044 8.821 ( -6.633 -10.742 1.560) 12.721 9.187 ( -15.207 2.656 1.714) 15.532 10.216 ( 13.245 11.653 -4.644) 18.242 10.496 ( 4.976 8.661 -0.821) 10.023 11.149 ( 4.600 3.944 -1.249) 6.186 14.852 ( 6.263 -6.360 4.453) 9.975 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -8.413 -2.565 -0.158) 8.796 2.465 ( -11.379 3.206 -0.609) 11.837 3.448 ( -18.424 8.121 0.066) 20.135 3.649 ( -3.476 -3.261 -7.806) 9.146 3.895 ( 5.271 0.003 5.853) 7.877 5.430 ( -17.810 -7.981 1.366) 19.564 8.616 ( -6.552 -8.728 3.265) 11.392 8.903 ( -18.904 -0.617 2.112) 19.032 10.404 ( -0.502 6.965 -0.788) 7.027 10.811 ( 21.061 11.509 -13.877) 27.724 11.328 ( 11.823 2.538 5.534) 13.299 14.915 ( 5.954 -4.325 3.188) 8.020 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -11.658 -2.800 2.472) 12.242 2.290 ( -11.885 1.300 0.923) 11.992 3.171 ( -20.688 4.300 -0.016) 21.130 3.452 ( -11.298 -4.955 -2.103) 12.515 4.036 ( 7.417 1.439 -2.024) 7.822 4.980 ( -26.415 -7.440 1.990) 27.515 8.410 ( -14.541 -4.197 2.280) 15.305 8.614 ( -8.732 -3.865 2.359) 9.837 10.435 ( -0.640 4.291 -0.945) 4.440 11.197 ( 17.953 5.678 -24.318) 30.756 11.666 ( 20.248 5.778 16.591) 26.807 14.984 ( 5.381 -2.914 0.365) 6.131 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 0.000 15.866 7.304) 17.466 1.807 ( 0.000 13.004 17.542) 21.836 2.321 ( 0.000 11.141 -4.620) 12.060 2.728 ( 0.000 21.102 6.500) 22.080 3.275 ( 0.000 37.342 -2.308) 37.414 4.221 ( -0.000 0.327 -6.379) 6.387 7.569 ( 0.000 16.452 1.855) 16.557 8.939 ( -0.000 -11.350 5.892) 12.788 10.605 ( -0.000 -7.265 -1.316) 7.383 10.806 ( -0.000 8.002 -33.040) 33.995 13.250 ( -0.000 -28.658 16.023) 32.833 14.883 ( -0.000 6.774 -11.629) 13.458 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 2.071 11.819 8.419) 14.658 2.001 ( 2.906 12.016 11.727) 17.040 2.495 ( 7.072 14.562 -3.380) 16.537 2.966 ( 3.647 16.139 2.590) 16.747 3.654 ( 6.029 25.897 -6.100) 27.281 4.261 ( 1.995 11.129 -1.756) 11.442 7.793 ( 5.436 18.322 1.734) 19.190 8.798 ( -6.068 -10.047 3.883) 12.363 10.490 ( -2.943 -4.526 -3.802) 6.603 10.796 ( 2.957 -0.173 -25.698) 25.868 12.989 ( -3.068 -28.913 16.626) 33.493 14.890 ( -2.459 5.077 -11.016) 12.376 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 4.199 10.294 7.817) 13.590 2.200 ( 4.144 9.847 7.532) 13.071 2.809 ( 10.975 17.785 -1.834) 20.979 3.158 ( 3.903 8.684 -2.423) 9.825 3.869 ( 3.311 8.088 -7.911) 11.788 4.555 ( 9.535 24.816 3.193) 26.776 8.116 ( 9.080 19.723 2.205) 21.825 8.586 ( -9.363 -4.580 -0.059) 10.423 10.435 ( 1.492 -1.962 -2.558) 3.552 10.723 ( 0.231 -6.131 -20.210) 21.121 12.676 ( -6.157 -28.708 15.489) 33.196 14.827 ( -5.645 2.930 -9.897) 11.765 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 6.230 9.352 7.113) 13.300 2.380 ( 3.923 8.996 4.675) 10.871 3.161 ( 7.275 16.445 -2.228) 18.120 3.260 ( 5.316 4.600 -7.286) 10.124 3.958 ( 2.444 4.910 -1.738) 5.754 4.992 ( 12.160 21.274 2.571) 24.639 8.365 ( -3.462 4.371 0.064) 5.577 8.553 ( 7.035 18.311 0.743) 19.630 10.476 ( 3.734 1.567 -1.205) 4.225 10.568 ( -2.515 -9.517 -16.340) 19.076 12.308 ( -9.556 -27.107 12.403) 31.304 14.710 ( -6.229 0.336 -7.733) 9.935 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 3.477 7.359 5.964) 10.090 2.566 ( 6.348 9.898 2.885) 12.108 3.208 ( -0.060 -1.494 -10.808) 10.911 3.534 ( 6.927 18.801 -1.925) 20.128 4.045 ( 2.165 4.164 3.082) 5.614 5.369 ( 11.137 12.872 1.712) 17.107 8.366 ( 0.548 6.540 -0.733) 6.604 8.905 ( 7.563 20.756 1.771) 22.162 10.370 ( -3.177 -10.787 -12.930) 17.136 10.565 ( 1.880 5.634 -0.088) 5.940 11.903 ( -12.561 -22.048 7.800) 26.546 14.595 ( -2.966 -3.183 -4.610) 6.339 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.988 9.050 2.801) 9.524 2.767 ( 6.184 6.411 3.058) 9.418 3.139 ( -1.105 -2.223 -11.691) 11.952 3.779 ( 2.348 14.591 -0.200) 14.780 4.130 ( 0.155 6.815 3.754) 7.782 5.631 ( 9.185 4.266 1.366) 10.219 8.516 ( 7.407 9.474 -0.331) 12.030 9.190 ( 2.814 16.833 1.134) 17.104 10.193 ( -0.840 -10.134 -8.998) 13.578 10.610 ( -5.631 6.904 1.921) 9.114 11.533 ( -11.746 -11.150 2.344) 16.365 14.529 ( 2.388 -7.048 -1.348) 7.563 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -3.246 9.289 0.126) 9.841 2.892 ( 3.010 -0.358 0.560) 3.082 3.102 ( 1.776 3.578 -8.649) 9.527 3.898 ( 0.557 4.362 3.021) 5.336 4.200 ( -5.279 13.885 1.262) 14.908 5.779 ( 6.866 -2.733 1.328) 7.508 8.767 ( 10.534 7.920 -1.410) 13.255 9.325 ( -2.350 9.937 0.934) 10.254 10.105 ( 3.470 -8.570 -5.264) 10.639 10.510 ( -14.219 8.794 4.688) 17.364 11.328 ( -7.443 1.349 -2.337) 7.917 14.528 ( 6.968 -9.703 1.190) 12.005 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -6.398 2.462 -2.347) 7.246 2.889 ( -3.954 4.439 -1.835) 6.222 3.219 ( 7.673 4.780 -4.921) 10.292 3.920 ( 0.289 -3.255 5.496) 6.394 4.211 ( -12.002 17.272 -0.716) 21.044 5.822 ( 3.329 -6.884 1.306) 7.758 8.923 ( 2.627 -2.876 -2.764) 4.776 9.388 ( 0.284 9.397 2.571) 9.747 10.054 ( 0.415 -6.287 -3.928) 7.424 10.453 ( -6.752 16.646 5.518) 18.791 11.236 ( -6.553 4.043 -4.226) 8.783 14.576 ( 9.211 -10.072 2.524) 13.880 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -7.083 -0.704 -1.755) 7.331 2.832 ( -9.135 7.136 -1.533) 11.693 3.393 ( 9.732 3.021 -6.566) 12.122 3.890 ( -0.349 -5.874 7.269) 9.353 4.117 ( -17.520 15.215 -1.243) 23.238 5.764 ( -2.111 -7.769 1.198) 8.139 8.814 ( -5.027 -9.154 -0.018) 10.443 9.437 ( -7.855 4.567 2.099) 9.326 10.093 ( 9.879 4.835 -5.309) 12.213 10.589 ( -1.128 16.778 4.767) 17.478 11.152 ( -3.304 0.229 -4.121) 5.287 14.653 ( 9.449 -8.415 2.472) 12.893 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -7.724 -0.815 0.308) 7.773 2.707 ( -12.049 5.083 -0.761) 13.100 3.541 ( 6.713 0.951 -9.798) 11.915 3.851 ( -1.215 -4.733 6.518) 8.146 3.912 ( -19.210 10.317 1.291) 21.843 5.601 ( -9.551 -6.243 1.105) 11.463 8.632 ( -5.644 -8.343 1.470) 10.179 9.234 ( -17.596 0.501 1.761) 17.691 10.389 ( 14.905 8.744 -7.044) 18.661 10.699 ( -2.669 10.650 -0.936) 11.019 11.174 ( 8.411 -0.437 2.004) 8.658 14.744 ( 8.755 -5.973 1.033) 10.649 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -9.244 -0.248 2.634) 9.615 2.524 ( -13.150 2.039 0.345) 13.312 3.536 ( -3.685 -1.919 -7.056) 8.188 3.586 ( -22.258 3.864 -0.693) 22.602 3.925 ( 5.697 -0.006 3.822) 6.860 5.318 ( -18.426 -3.638 1.346) 18.830 8.482 ( -4.194 -5.653 0.736) 7.077 8.897 ( -21.256 -1.236 1.522) 21.347 10.534 ( -4.540 5.221 -0.607) 6.946 10.865 ( 17.577 3.530 -17.344) 24.944 11.437 ( 17.055 3.511 12.578) 21.481 14.834 ( 7.610 -4.129 -1.615) 8.807 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 0.000 9.009 3.420) 9.636 2.131 ( 0.000 10.138 13.849) 17.163 2.563 ( 0.000 15.130 -2.880) 15.402 3.095 ( 0.000 13.720 -0.873) 13.748 3.796 ( 0.000 14.858 -7.924) 16.839 4.410 ( 0.000 23.652 1.946) 23.732 7.928 ( 0.000 18.570 0.548) 18.578 8.777 ( -0.000 -6.812 2.162) 7.147 10.465 ( -0.000 -5.948 -0.445) 5.965 10.660 ( -0.000 -3.919 -25.565) 25.863 12.776 ( -0.000 -29.605 16.147) 33.722 14.935 ( -0.000 5.356 -9.775) 11.146 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 3.804 7.418 2.312) 8.651 2.272 ( 1.373 8.308 11.734) 14.443 2.787 ( 8.918 15.723 -1.762) 18.162 3.197 ( 0.377 7.462 -6.068) 9.625 3.894 ( 1.134 8.291 -5.164) 9.834 4.719 ( 3.754 28.670 3.061) 29.076 8.170 ( 6.695 18.598 0.298) 19.768 8.678 ( -5.555 -2.720 -1.834) 6.452 10.397 ( -0.664 -2.954 -1.632) 3.440 10.566 ( 2.571 -8.281 -17.679) 19.691 12.505 ( -2.714 -29.904 14.382) 33.293 14.922 ( -4.086 4.387 -8.655) 10.529 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 6.709 7.477 2.161) 10.276 2.413 ( 2.863 6.443 9.637) 11.941 3.140 ( 13.842 16.080 -1.355) 21.260 3.215 ( -0.410 1.715 -10.071) 10.225 3.980 ( 1.271 6.750 -0.483) 6.885 5.077 ( 5.607 24.464 2.305) 25.204 8.461 ( 1.601 10.031 -0.542) 10.173 8.608 ( 2.949 11.180 -2.519) 11.834 10.388 ( 2.394 -4.260 -6.262) 7.943 10.472 ( 1.384 -5.304 -7.497) 9.287 12.186 ( -4.975 -29.170 11.680) 31.813 14.828 ( -7.952 2.539 -7.486) 11.212 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 5.964 6.021 5.932) 10.345 2.564 ( 5.792 7.134 3.964) 10.008 3.169 ( -0.962 -1.430 -11.206) 11.338 3.535 ( 12.902 16.634 -1.564) 21.109 4.064 ( 1.729 4.888 2.647) 5.821 5.380 ( 5.051 16.528 1.425) 17.341 8.455 ( -2.987 6.828 -2.097) 7.742 8.950 ( 11.109 18.753 0.873) 21.814 10.263 ( -1.965 -11.041 -10.722) 15.516 10.553 ( 6.074 5.201 -0.048) 7.997 11.845 ( -6.331 -25.910 8.545) 28.007 14.669 ( -9.144 -0.254 -5.912) 10.892 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 4.711 3.231 7.208) 9.197 2.770 ( 6.012 9.616 0.237) 11.343 3.097 ( -0.982 -2.194 -10.396) 10.670 3.838 ( 4.676 11.116 -0.867) 12.091 4.185 ( 5.236 8.735 3.162) 10.664 5.573 ( 3.566 7.073 0.896) 7.971 8.534 ( 2.602 10.236 0.101) 10.562 9.277 ( 6.252 15.050 1.171) 16.339 10.085 ( -2.286 -10.663 -8.467) 13.806 10.721 ( 3.676 9.380 0.273) 10.078 11.540 ( -5.233 -18.133 4.939) 19.509 14.496 ( -6.327 -4.023 -3.753) 8.384 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 5.358 2.224 4.988) 7.650 2.893 ( -2.375 5.429 -2.300) 6.357 3.078 ( 3.320 3.604 -7.252) 8.752 3.908 ( -0.738 -0.419 2.273) 2.427 4.417 ( 2.773 18.732 0.654) 18.948 5.654 ( 3.384 -2.577 0.830) 4.334 8.722 ( 6.029 10.552 1.337) 12.226 9.441 ( -0.617 7.818 0.938) 7.898 9.949 ( 1.362 -9.626 -6.237) 11.551 10.811 ( -6.258 11.440 2.959) 13.371 11.380 ( -0.757 -5.204 -0.300) 5.267 14.370 ( -0.181 -7.745 -1.312) 7.858 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -5.378 -0.286 -3.306) 6.319 2.936 ( 3.879 3.870 2.704) 6.110 3.188 ( 2.408 8.895 -5.680) 10.825 3.868 ( -0.167 -6.693 4.338) 7.977 4.589 ( -7.235 22.011 -0.598) 23.177 5.663 ( 5.056 -9.660 1.022) 10.952 8.887 ( 1.937 3.989 0.569) 4.471 9.472 ( -0.922 5.626 2.173) 6.101 9.900 ( 4.761 -8.625 -5.224) 11.151 10.802 ( -9.597 15.298 5.492) 18.876 11.343 ( -3.207 1.695 -4.233) 5.574 14.338 ( 6.425 -9.326 0.481) 11.335 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -6.653 0.075 -1.380) 6.795 3.012 ( -2.015 5.128 0.491) 5.531 3.287 ( 3.275 6.470 -6.761) 9.915 3.819 ( 1.851 -8.546 5.894) 10.545 4.577 ( -16.806 17.516 -0.783) 24.287 5.656 ( 5.006 -9.804 1.012) 11.055 8.841 ( -5.815 -3.862 0.771) 7.023 9.553 ( -0.345 5.035 2.392) 5.586 9.924 ( 8.824 -2.979 -5.178) 10.656 10.854 ( -5.153 17.404 6.250) 19.197 11.234 ( -8.375 -1.095 -5.396) 10.023 14.401 ( 10.228 -7.903 0.675) 12.944 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -7.315 0.842 0.971) 7.427 2.949 ( -10.129 3.883 -0.548) 10.862 3.401 ( 6.941 2.892 -8.751) 11.538 3.803 ( 2.315 -6.024 6.817) 9.388 4.370 ( -21.575 8.365 -0.094) 23.140 5.632 ( -0.251 -4.951 0.796) 5.021 8.682 ( -7.424 -4.216 1.336) 8.641 9.482 ( -10.353 -0.631 1.074) 10.428 10.145 ( 16.406 4.209 -5.675) 17.863 10.967 ( -10.718 13.803 2.716) 17.686 11.054 ( 2.286 -5.523 -0.646) 6.012 14.519 ( 10.659 -5.067 -0.723) 11.824 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -8.041 1.622 3.128) 8.779 2.766 ( -13.071 0.519 -0.041) 13.081 3.496 ( 4.132 1.439 -10.867) 11.715 3.811 ( 0.462 -2.965 4.609) 5.500 4.043 ( -20.255 0.959 2.572) 20.440 5.534 ( -8.865 -0.420 0.847) 8.916 8.531 ( -6.706 -2.045 0.022) 7.010 9.229 ( -17.732 -1.657 0.970) 17.835 10.470 ( 17.816 4.305 -8.169) 20.067 10.756 ( -9.286 -4.873 -4.008) 11.227 11.254 ( 11.576 5.293 9.401) 15.824 14.647 ( 9.149 -2.733 -3.009) 10.012 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.000 5.645 0.880) 5.713 2.371 ( 0.000 6.506 11.294) 13.034 2.847 ( 0.000 14.322 -1.358) 14.386 3.225 ( -0.000 3.258 -10.273) 10.778 3.959 ( 0.000 8.618 -1.469) 8.742 4.984 ( 0.000 28.464 2.646) 28.587 8.279 ( 0.000 16.571 -1.270) 16.620 8.699 ( -0.000 -0.412 -5.942) 5.957 10.382 ( -0.000 -2.241 0.909) 2.419 10.401 ( -0.000 -8.755 -13.233) 15.867 12.271 ( -0.000 -30.447 12.142) 32.779 14.983 ( -0.000 4.858 -7.298) 8.767 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 5.073 5.119 0.452) 7.221 2.467 ( 1.062 4.683 10.339) 11.400 3.065 ( 9.615 12.790 -1.268) 16.051 3.202 ( -0.204 0.440 -11.859) 11.869 4.043 ( 0.057 7.774 1.058) 7.846 5.270 ( 1.581 24.464 1.885) 24.588 8.494 ( 6.595 13.583 -1.723) 15.198 8.659 ( -1.485 3.879 -8.432) 9.399 10.287 ( -0.043 -7.743 -6.407) 10.050 10.396 ( 2.353 -0.151 0.477) 2.406 11.986 ( -2.057 -29.975 9.371) 31.473 14.961 ( -5.527 4.175 -6.302) 9.364 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 8.812 5.285 0.407) 10.284 2.565 ( 2.562 3.076 9.421) 10.236 3.138 ( -0.820 -1.117 -11.330) 11.414 3.425 ( 15.677 12.836 -1.126) 20.292 4.109 ( -0.424 5.096 2.147) 5.546 5.511 ( 0.994 18.256 1.149) 18.319 8.562 ( -2.902 6.058 -6.080) 9.060 8.891 ( 14.327 14.180 -2.058) 20.262 10.179 ( -2.203 -7.603 -4.346) 9.030 10.481 ( 5.953 2.696 0.970) 6.607 11.683 ( -2.839 -27.033 6.957) 28.058 14.838 ( -10.458 2.541 -5.504) 12.088 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 4.775 2.118 5.486) 7.575 2.709 ( 9.347 5.388 2.774) 11.140 3.076 ( -1.575 -0.928 -9.248) 9.427 3.813 ( 12.971 12.305 -1.657) 17.955 4.159 ( 3.021 2.658 2.840) 4.925 5.655 ( -1.607 10.765 0.584) 10.900 8.601 ( 0.862 8.987 -2.802) 9.453 9.259 ( 12.126 12.056 -1.048) 17.131 10.036 ( -4.784 -6.658 -3.444) 8.893 10.657 ( 10.556 3.995 -0.246) 11.289 11.422 ( -2.013 -20.110 5.561) 20.962 14.634 ( -12.671 0.108 -4.452) 13.431 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 4.570 0.050 4.930) 6.722 2.941 ( 7.063 7.245 0.926) 10.161 3.019 ( 0.242 -0.150 -6.852) 6.858 3.954 ( -2.970 2.107 -0.084) 3.643 4.407 ( 15.614 10.748 1.176) 18.992 5.666 ( -4.739 2.324 0.261) 5.285 8.744 ( 4.563 10.169 0.439) 11.155 9.488 ( 4.166 6.140 -1.009) 7.488 9.874 ( -4.934 -6.647 -2.796) 8.738 10.896 ( 9.586 7.065 -1.396) 11.990 11.279 ( 1.770 -10.226 4.475) 11.302 14.405 ( -10.553 -2.748 -2.824) 11.264 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 3.643 -0.899 1.269) 3.961 2.943 ( -2.704 1.839 -1.372) 3.547 3.188 ( 7.960 7.948 -1.743) 11.383 3.863 ( -5.273 -4.349 1.264) 6.951 4.782 ( 10.402 16.728 0.020) 19.698 5.551 ( -5.084 -7.494 0.325) 9.061 8.910 ( 2.916 6.425 1.379) 7.189 9.546 ( -0.956 4.124 0.441) 4.257 9.748 ( 0.168 -7.481 -3.240) 8.154 11.038 ( -1.825 7.962 1.938) 8.396 11.317 ( 6.225 -0.922 -0.526) 6.315 14.234 ( -3.668 -4.686 -0.961) 6.028 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -4.674 1.203 -0.496) 4.852 2.979 ( 4.931 -0.279 0.029) 4.939 3.362 ( 1.489 10.817 -3.589) 11.494 3.729 ( -1.985 -9.407 3.438) 10.210 4.999 ( -10.205 18.766 -0.663) 21.371 5.423 ( 7.099 -14.396 0.782) 16.070 8.925 ( -4.760 -0.401 1.240) 4.935 9.596 ( 0.059 3.358 1.747) 3.786 9.734 ( 7.285 -2.563 -3.740) 8.580 11.052 ( -3.594 3.846 2.905) 6.012 11.357 ( -3.723 3.226 -2.308) 5.440 14.200 ( 4.885 -3.890 -0.176) 6.247 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -6.717 2.414 1.709) 7.340 3.040 ( 1.772 -1.810 -1.611) 3.002 3.395 ( -4.650 7.042 -6.471) 10.634 3.694 ( 5.519 -6.469 5.814) 10.301 4.786 ( -21.079 0.835 -0.160) 21.097 5.526 ( 8.809 -0.886 0.461) 8.866 8.804 ( -8.083 -0.379 1.895) 8.311 9.569 ( -2.266 -3.599 -1.083) 4.389 9.925 ( 11.991 5.238 -2.099) 13.252 10.985 ( -2.976 -9.317 -0.938) 9.826 11.277 ( -9.722 8.790 2.206) 13.291 14.305 ( 9.530 -1.028 -1.202) 9.660 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -7.533 2.848 3.576) 8.812 2.947 ( -8.498 -3.360 -0.805) 9.173 3.405 ( 3.516 2.468 -9.283) 10.229 3.763 ( 3.764 -1.367 5.610) 6.893 4.386 ( -21.172 -6.995 0.698) 22.308 5.624 ( 0.027 3.901 0.461) 3.928 8.674 ( -8.977 2.792 0.890) 9.443 9.440 ( -8.965 -3.407 -0.829) 9.627 10.192 ( 14.912 3.586 -4.166) 15.893 10.769 ( -4.873 -15.947 -2.499) 16.861 11.268 ( -2.147 7.092 6.072) 9.580 14.468 ( 9.418 1.522 -3.019) 10.007 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 0.000 3.931 0.053) 3.931 2.526 ( 0.000 2.860 9.748) 10.158 3.093 ( 0.000 11.016 -0.661) 11.036 3.160 ( -0.000 -1.152 -12.272) 12.326 4.124 ( 0.000 7.195 1.725) 7.399 5.492 ( 0.000 21.377 1.208) 21.411 8.545 ( 0.000 11.400 -2.308) 11.631 8.669 ( -0.000 2.669 -12.235) 12.522 10.214 ( -0.000 -5.105 -0.406) 5.121 10.391 ( 0.000 2.005 1.712) 2.636 11.730 ( -0.000 -29.807 6.387) 30.484 15.038 ( -0.000 4.561 -5.255) 6.958 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 5.922 3.468 0.021) 6.863 2.584 ( 1.143 1.266 9.197) 9.354 3.107 ( -0.491 -0.648 -10.245) 10.277 3.290 ( 11.020 9.139 -0.754) 14.337 4.182 ( -1.136 5.037 1.525) 5.385 5.683 ( -0.128 16.558 0.589) 16.569 8.629 ( -1.278 5.235 -8.596) 10.145 8.761 ( 11.425 8.566 -4.196) 14.883 10.167 ( -2.115 -2.321 2.393) 3.948 10.438 ( 2.098 2.330 1.412) 3.439 11.457 ( -0.174 -26.971 3.961) 27.261 15.008 ( -6.723 3.841 -4.630) 9.021 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 9.784 3.104 -0.095) 10.265 2.649 ( 2.943 -0.002 8.292) 8.799 3.069 ( -0.777 0.512 -7.402) 7.461 3.629 ( 18.030 8.421 -0.833) 19.917 4.190 ( -2.353 1.972 1.123) 3.269 5.804 ( -2.210 10.944 0.158) 11.167 8.654 ( 0.549 6.995 -5.324) 8.807 9.094 ( 17.126 7.768 -2.466) 18.966 10.099 ( -5.834 0.295 2.288) 6.274 10.506 ( 6.004 -2.520 -0.057) 6.512 11.251 ( 1.693 -18.264 3.295) 18.636 14.860 ( -12.509 2.488 -4.060) 13.385 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 4.023 -0.927 3.702) 5.546 2.804 ( 11.982 2.638 2.154) 12.457 3.043 ( -1.826 2.004 -3.860) 4.717 3.993 ( 8.412 7.008 -2.284) 11.184 4.198 ( 8.930 -0.113 1.878) 9.126 5.812 ( -6.328 5.107 -0.190) 8.134 8.757 ( 3.839 7.670 -1.186) 8.659 9.401 ( 11.035 4.052 -2.541) 12.027 9.975 ( -9.812 0.244 1.622) 9.948 10.643 ( 16.453 -4.676 -2.182) 17.243 11.182 ( 2.708 -6.820 4.230) 8.470 14.623 ( -15.404 1.037 -3.026) 15.733 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 4.362 -1.973 2.129) 5.240 3.005 ( -0.163 1.589 -2.694) 3.132 3.067 ( 9.861 4.300 2.891) 11.139 3.955 ( -7.583 -0.895 -1.713) 7.826 4.570 ( 23.232 4.361 0.671) 23.648 5.684 ( -11.374 0.009 -0.403) 11.382 8.896 ( 4.644 3.734 0.049) 5.959 9.538 ( 4.351 2.109 -2.306) 5.357 9.798 ( -9.890 -1.347 1.826) 10.146 10.941 ( 18.548 0.847 -4.329) 19.065 11.203 ( 3.224 -2.595 5.330) 6.748 14.366 ( -13.565 0.331 -1.368) 13.638 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 4.730 -1.674 -0.097) 5.018 2.974 ( -3.604 2.099 0.410) 4.191 3.309 ( 11.501 3.387 2.076) 12.168 3.780 ( -9.539 -3.127 -2.000) 10.236 4.989 ( 21.494 0.300 0.448) 21.501 5.435 ( -16.270 -0.667 -0.508) 16.292 8.948 ( 0.984 -2.851 -1.112) 3.215 9.620 ( 0.215 -2.796 -1.016) 2.983 9.677 ( -1.372 7.438 2.476) 7.959 11.094 ( -0.362 -1.841 -1.587) 2.457 11.323 ( 9.874 -0.189 1.337) 9.966 14.198 ( -6.062 1.543 0.123) 6.256 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -0.950 1.986 0.739) 2.322 2.945 ( 1.062 -2.078 -0.724) 2.443 3.525 ( 10.021 -1.889 4.500) 11.146 3.575 ( -10.212 1.521 -4.389) 11.219 5.017 ( -10.514 -18.482 0.126) 21.264 5.401 ( 7.635 13.660 -0.155) 15.649 8.902 ( -2.138 -1.963 -0.080) 2.903 9.533 ( -1.982 -4.894 -0.549) 5.308 9.848 ( 6.189 9.661 0.906) 11.508 10.962 ( -6.411 -11.152 -0.727) 12.884 11.423 ( 0.301 1.491 0.482) 1.595 14.205 ( 3.053 4.442 0.030) 5.390 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -7.075 2.954 3.799) 8.557 2.948 ( 2.109 -5.043 -3.064) 6.266 3.400 ( -4.225 -3.013 -3.746) 6.400 3.703 ( 5.609 4.173 2.804) 7.532 4.598 ( -16.511 -16.975 0.178) 23.681 5.636 ( 5.395 8.998 0.149) 10.493 8.855 ( -5.212 4.504 1.129) 6.981 9.456 ( -0.860 -5.990 -1.729) 6.293 10.050 ( 7.323 7.310 -0.472) 10.357 10.680 ( -7.460 -18.794 -0.945) 20.243 11.391 ( -4.314 0.017 2.011) 4.760 14.356 ( 7.256 6.779 -1.298) 10.015 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 0.000 2.474 0.085) 2.475 2.606 ( 0.000 -0.303 8.564) 8.569 3.081 ( -0.000 0.205 -7.985) 7.988 3.267 ( 0.000 6.879 -0.276) 6.885 4.241 ( 0.000 3.707 0.663) 3.766 5.832 ( 0.000 12.764 0.010) 12.764 8.668 ( -0.000 4.627 -9.239) 10.333 8.706 ( 0.000 6.406 -1.373) 6.551 10.194 ( 0.000 0.763 4.848) 4.907 10.458 ( 0.000 3.280 0.902) 3.401 11.201 ( -0.000 -25.219 1.253) 25.250 15.093 ( -0.000 3.698 -4.084) 5.509 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 6.317 1.833 0.125) 6.579 2.631 ( 1.202 -1.653 7.678) 7.945 3.071 ( -0.199 2.114 -4.553) 5.024 3.427 ( 11.706 4.865 -0.233) 12.679 4.251 ( -2.027 1.610 -0.314) 2.607 5.927 ( -1.075 8.152 -0.351) 8.231 8.699 ( 0.115 6.695 -3.662) 7.632 8.875 ( 12.937 4.630 -1.008) 13.777 10.207 ( -1.859 2.983 3.827) 5.197 10.446 ( -3.373 -3.144 -1.082) 4.736 11.028 ( 4.930 -15.897 0.873) 16.667 15.050 ( -7.372 2.817 -3.740) 8.733 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 8.852 0.514 -0.204) 8.869 2.670 ( 4.366 -2.144 6.086) 7.791 3.086 ( -0.756 3.875 -0.905) 4.050 3.742 ( 19.916 3.379 -0.401) 20.204 4.201 ( -4.042 -0.789 -1.122) 4.269 5.943 ( -3.818 3.411 -0.648) 5.161 8.777 ( 1.444 6.626 0.955) 6.849 9.186 ( 16.965 3.483 -1.001) 17.348 10.184 ( -10.637 3.930 2.358) 11.583 10.345 ( 7.916 -9.431 -3.241) 12.732 11.051 ( 7.006 -4.564 2.089) 8.618 14.883 ( -13.318 1.978 -3.056) 13.807 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 3.642 -3.011 1.452) 4.943 2.837 ( 12.706 -0.410 1.530) 12.804 3.110 ( -1.792 5.001 2.553) 5.894 4.056 ( -2.128 1.410 -4.040) 4.779 4.180 ( 19.899 -2.744 1.527) 20.145 5.855 ( -7.984 -0.372 -0.879) 8.041 8.859 ( 1.985 1.382 1.609) 2.905 9.445 ( 9.593 2.929 -1.390) 10.126 9.984 ( -10.998 -1.801 1.355) 11.226 10.566 ( 20.647 1.400 -2.508) 20.846 11.130 ( 4.388 -2.547 2.759) 5.775 14.639 ( -15.954 1.993 -1.624) 16.159 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 4.666 -3.528 -0.286) 5.857 3.016 ( 5.800 -0.736 -0.165) 5.849 3.168 ( 4.057 4.074 6.077) 8.366 3.913 ( -8.738 -1.324 -4.111) 9.747 4.565 ( 23.833 -5.401 0.500) 24.442 5.674 ( -11.317 -0.608 -0.881) 11.367 8.863 ( 1.589 -5.979 -1.456) 6.356 9.581 ( 3.889 0.859 -0.518) 4.016 9.839 ( -7.219 5.441 3.822) 9.815 10.958 ( 19.154 4.432 -4.827) 20.244 11.145 ( 2.160 -6.951 3.927) 8.271 14.404 ( -13.423 3.708 0.326) 13.929 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 6.080 -3.659 -2.260) 7.448 3.022 ( -3.410 0.526 2.167) 4.074 3.338 ( 9.266 -1.725 6.143) 11.250 3.744 ( -8.431 1.881 -5.264) 10.116 4.785 ( 11.392 -17.517 0.168) 20.897 5.531 ( -5.432 7.080 -0.601) 8.944 8.825 ( 3.471 -7.203 -2.486) 8.373 9.559 ( -3.046 -3.920 1.138) 5.093 9.901 ( 0.495 12.411 3.272) 12.845 10.979 ( -7.361 -8.938 0.117) 11.580 11.297 ( 12.914 -1.599 -2.018) 13.168 14.292 ( -5.628 6.999 1.604) 9.123 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 0.000 0.941 0.417) 1.029 2.620 ( 0.000 -2.857 6.706) 7.290 3.094 ( 0.000 4.081 -0.942) 4.188 3.358 ( 0.000 2.431 -0.019) 2.431 4.276 ( -0.000 0.185 -1.524) 1.535 5.996 ( 0.000 4.095 -0.692) 4.153 8.767 ( 0.000 8.028 1.628) 8.192 8.795 ( 0.000 3.026 0.876) 3.150 10.219 ( -0.000 -2.862 -0.948) 3.015 10.503 ( -0.000 0.738 -0.985) 1.231 10.831 ( -0.000 -9.529 0.781) 9.561 15.128 ( -0.000 2.079 -3.680) 4.226 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 6.207 0.050 0.301) 6.214 2.615 ( 1.211 -3.856 5.332) 6.690 3.144 ( -0.305 5.883 2.581) 6.432 3.477 ( 12.076 0.265 0.072) 12.079 4.243 ( -2.437 -1.538 -2.669) 3.927 6.000 ( -1.446 -0.336 -0.990) 1.785 8.847 ( -0.248 5.856 5.444) 7.999 8.950 ( 12.411 3.838 2.828) 13.295 10.165 ( 1.605 -9.137 -6.411) 11.277 10.397 ( -8.817 2.517 0.085) 9.170 10.894 ( 8.125 0.570 1.599) 8.301 15.069 ( -7.288 1.305 -3.396) 8.146 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 5.689 -2.480 -0.332) 6.215 2.644 ( 7.279 -3.368 3.664) 8.817 3.206 ( -1.339 6.742 5.342) 8.706 3.754 ( 20.591 -2.122 0.130) 20.701 4.149 ( -4.725 -2.873 -3.787) 6.702 5.930 ( -3.817 -4.205 -1.284) 5.822 8.881 ( -2.040 0.152 5.248) 5.632 9.245 ( 15.629 1.797 2.194) 15.884 10.057 ( -1.931 -6.126 -3.979) 7.555 10.392 ( 3.711 7.382 -0.568) 8.282 11.038 ( 5.655 1.829 1.345) 6.094 14.899 ( -12.566 1.339 -2.356) 12.855 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 3.507 -4.643 -0.566) 5.846 2.805 ( 12.250 -3.785 1.304) 12.888 3.261 ( -2.361 6.884 7.460) 10.422 4.010 ( -6.315 -3.034 -4.778) 8.480 4.100 ( 23.311 -6.161 -0.025) 24.111 5.788 ( -6.034 -5.748 -1.285) 8.432 8.808 ( -2.950 -6.794 0.803) 7.450 9.458 ( 9.332 -4.385 -0.109) 10.312 10.009 ( -3.463 7.105 3.649) 8.706 10.651 ( 17.647 5.762 -2.039) 18.676 11.105 ( 0.190 0.216 0.832) 0.881 14.680 ( -14.063 2.850 -0.428) 14.355 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 4.965 -4.965 -2.161) 7.347 2.944 ( 8.524 -6.797 0.618) 10.920 3.319 ( -0.844 6.265 9.129) 11.104 3.861 ( -6.450 -0.882 -5.701) 8.654 4.370 ( 18.057 -13.924 -0.278) 22.803 5.640 ( -4.410 -2.756 -0.919) 5.281 8.696 ( 0.399 -8.801 -1.648) 8.963 9.490 ( 3.894 -9.261 -0.785) 10.077 10.088 ( -3.397 15.183 6.770) 16.968 10.961 ( 9.682 -10.154 2.533) 14.257 11.083 ( 1.828 8.197 -5.496) 10.037 14.508 ( -10.517 5.874 1.772) 12.176 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -0.000 -0.779 0.652) 1.016 2.577 ( -0.000 -4.803 4.196) 6.377 3.227 ( 0.000 7.581 5.896) 9.603 3.362 ( -0.000 -2.087 0.151) 2.092 4.231 ( -0.000 -3.086 -3.901) 4.974 5.984 ( -0.000 -4.783 -1.284) 4.953 8.835 ( 0.000 -0.332 2.738) 2.758 8.981 ( 0.000 7.447 12.315) 14.392 10.052 ( -0.000 -6.161 -8.762) 10.711 10.469 ( -0.000 -2.797 -2.537) 3.777 10.876 ( 0.000 9.992 2.106) 10.211 15.129 ( -0.000 0.403 -3.663) 3.685 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 5.542 -1.945 0.211) 5.877 2.546 ( 1.386 -5.680 2.937) 6.543 3.319 ( -0.840 7.670 8.150) 11.222 3.440 ( 11.997 -3.928 0.452) 12.632 4.160 ( -2.264 -4.338 -5.129) 7.089 5.900 ( -1.155 -9.058 -1.620) 9.274 8.888 ( 3.882 -3.438 3.288) 6.140 9.075 ( 3.646 -0.124 9.606) 10.275 10.017 ( 1.032 3.263 -4.639) 5.765 10.421 ( -0.366 -0.501 -1.804) 1.908 11.026 ( 2.766 11.295 0.320) 11.633 15.063 ( -6.508 0.209 -3.253) 7.279 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 3.024 -5.088 -0.984) 6.000 2.578 ( 9.049 -5.143 1.860) 10.573 3.396 ( -1.894 6.973 9.596) 12.012 3.662 ( 19.086 -7.418 0.766) 20.491 4.047 ( -3.730 -4.069 -6.484) 8.516 5.763 ( -1.963 -11.804 -1.712) 12.088 8.820 ( -5.195 -7.728 1.752) 9.475 9.191 ( 11.897 -9.849 1.375) 15.506 10.129 ( 1.548 13.337 4.270) 14.090 10.486 ( 7.404 2.681 -0.074) 7.874 11.156 ( -0.325 10.286 -1.579) 10.412 14.911 ( -10.535 1.311 -1.791) 10.766 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 3.601 -6.186 -1.981) 7.426 2.701 ( 10.651 -7.427 0.632) 13.001 3.448 ( -2.585 5.640 10.451) 12.154 3.872 ( 9.130 -10.951 0.608) 14.271 3.958 ( 6.112 -3.926 -7.281) 10.285 5.612 ( -0.892 -11.399 -1.360) 11.515 8.642 ( -4.492 -8.910 -0.750) 10.006 9.249 ( 9.311 -14.881 -1.488) 17.617 10.316 ( -0.655 17.241 8.907) 19.417 10.685 ( 12.000 -1.427 1.794) 12.217 11.207 ( -4.180 11.204 -4.891) 12.920 14.746 ( -10.747 3.754 0.578) 11.398 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -0.000 -2.758 0.536) 2.810 2.482 ( -0.000 -6.763 1.746) 6.985 3.278 ( -0.000 -6.467 0.238) 6.471 3.440 ( 0.000 8.097 10.572) 13.316 4.112 ( -0.000 -5.542 -6.296) 8.388 5.789 ( -0.000 -13.938 -1.963) 14.075 8.796 ( -0.000 -5.938 2.720) 6.531 9.063 ( -0.000 -7.339 6.467) 9.782 10.096 ( 0.000 15.180 3.263) 15.527 10.384 ( -0.000 -3.473 -2.476) 4.265 11.148 ( 0.000 16.192 -1.872) 16.300 15.105 ( -0.000 -0.322 -3.662) 3.676 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 4.091 -4.309 -0.414) 5.956 2.426 ( 2.148 -7.748 0.964) 8.098 3.303 ( 10.907 -8.735 0.425) 13.980 3.535 ( -0.946 5.224 11.385) 12.562 4.025 ( -1.482 -4.526 -7.082) 8.535 5.624 ( 0.049 -17.794 -2.125) 17.921 8.769 ( 2.824 -9.993 0.795) 10.415 8.965 ( 0.697 -11.828 0.494) 11.859 10.276 ( -0.907 13.590 5.432) 14.663 10.423 ( 5.444 7.133 5.403) 10.474 11.295 ( -1.011 16.293 -4.603) 16.961 15.046 ( -5.223 0.304 -3.035) 6.049 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 2.247 -7.723 -1.818) 8.246 2.461 ( 8.638 -7.479 0.359) 11.431 3.445 ( 15.597 -11.094 0.812) 19.158 3.568 ( -0.815 -1.981 9.652) 9.887 3.951 ( -2.096 0.537 -6.095) 6.468 5.445 ( 1.749 -19.344 -1.866) 19.512 8.639 ( -4.647 -9.669 -1.815) 10.880 8.918 ( 8.792 -16.348 -1.283) 18.607 10.396 ( 5.640 4.080 1.146) 7.055 10.673 ( 1.597 18.119 15.463) 23.874 11.393 ( -3.856 15.729 -8.067) 18.093 14.935 ( -7.866 2.168 -1.160) 8.241 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -0.000 -5.144 -0.025) 5.145 2.328 ( -0.000 -9.487 -0.504) 9.501 3.113 ( -0.000 -10.369 0.244) 10.372 3.601 ( 0.000 -1.756 9.933) 10.087 3.988 ( -0.000 -0.371 -5.274) 5.287 5.413 ( -0.000 -22.901 -2.401) 23.027 8.615 ( -0.000 -13.640 0.756) 13.661 8.856 ( -0.000 -11.215 -3.856) 11.859 10.335 ( -0.000 0.052 -0.712) 0.714 10.603 ( 0.000 25.898 19.501) 32.419 11.459 ( 0.000 17.909 -8.004) 19.616 15.082 ( -0.000 0.294 -3.471) 3.484 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 0.967 -10.293 -1.859) 10.504 2.270 ( 4.828 -7.607 -0.322) 9.016 3.093 ( 10.015 -12.520 0.173) 16.033 3.554 ( -0.502 -10.110 4.778) 11.193 3.998 ( -1.102 5.478 -0.335) 5.598 5.177 ( 2.128 -26.141 -2.344) 26.332 8.506 ( 4.038 -16.513 -1.161) 17.039 8.723 ( -1.472 -9.357 -4.530) 10.500 10.358 ( 1.707 2.370 0.436) 2.954 10.936 ( 0.576 24.368 23.613) 33.937 11.586 ( -2.475 18.222 -12.090) 22.007 15.045 ( -3.681 1.412 -2.612) 4.729 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -0.000 -13.388 -2.641) 13.646 2.150 ( -0.000 -8.480 -0.983) 8.536 2.881 ( -0.000 -12.989 0.201) 12.991 3.432 ( -0.000 -15.721 0.787) 15.741 4.076 ( 0.000 6.495 3.774) 7.512 4.865 ( -0.000 -30.829 -2.750) 30.951 8.283 ( -0.000 -19.144 -1.074) 19.174 8.656 ( -0.000 -4.710 -6.465) 7.999 10.382 ( 0.000 4.390 0.905) 4.483 11.246 ( 0.000 21.552 28.434) 35.679 11.757 ( 0.000 21.167 -15.945) 26.501 15.079 ( -0.000 1.494 -3.060) 3.406 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.000 -0.000 20.866) 20.866 0.604 ( 0.000 -0.000 20.866) 20.866 1.288 ( 0.000 -0.000 45.655) 45.655 2.061 ( -0.000 0.000 -3.988) 3.988 2.061 ( -0.000 0.000 -3.988) 3.988 5.032 ( -0.000 0.000 -13.216) 13.216 7.042 ( 0.000 -0.000 2.580) 2.580 7.042 ( 0.000 -0.000 2.580) 2.580 10.893 ( -0.000 0.000 -1.430) 1.430 10.893 ( -0.000 0.000 -1.430) 1.430 14.285 ( 0.000 -0.000 1.160) 1.160 14.447 ( -0.000 0.000 -0.637) 0.637 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 14.337 8.278 15.273) 22.524 1.051 ( 17.769 10.259 20.091) 28.716 1.621 ( 20.407 11.782 33.717) 41.136 2.078 ( 2.670 1.542 -4.300) 5.291 2.200 ( 12.595 7.272 -4.541) 15.236 4.546 ( -16.633 -9.603 -1.363) 19.255 7.106 ( 4.840 2.794 2.623) 6.174 8.413 ( 67.764 39.124 -35.918) 86.097 10.627 ( -17.190 -9.924 -5.622) 20.630 10.859 ( -2.696 -1.556 -1.430) 3.426 14.161 ( -11.614 -6.705 4.994) 14.310 14.585 ( 10.270 5.929 -7.626) 14.099 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 18.175 10.493 9.771) 23.150 1.396 ( 9.057 5.229 23.521) 25.741 2.158 ( 5.604 3.235 -4.458) 7.857 2.306 ( 26.593 15.354 16.952) 35.076 2.608 ( 26.206 15.130 -4.317) 30.567 4.303 ( -5.953 -3.437 -6.261) 9.298 7.274 ( 9.276 5.356 2.334) 10.962 9.159 ( 1.715 0.990 -3.612) 4.119 10.429 ( 10.606 6.124 -30.888) 33.228 10.768 ( -4.762 -2.750 -1.365) 5.666 13.855 ( -16.744 -9.667 11.513) 22.502 14.734 ( 4.780 2.760 -12.333) 13.512 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 15.519 8.960 6.533) 19.073 1.668 ( 9.923 5.729 17.879) 21.235 2.311 ( 9.195 5.309 -4.069) 11.371 2.815 ( 17.179 9.919 7.225) 21.112 3.328 ( 32.990 19.047 -2.636) 38.185 4.204 ( -0.369 -0.213 -6.277) 6.291 7.536 ( 12.973 7.490 1.710) 15.077 8.853 ( -19.702 -11.375 3.846) 23.073 10.645 ( -5.480 -3.164 -1.145) 6.431 10.707 ( 15.465 8.929 -30.195) 35.080 13.482 ( -19.802 -11.433 16.025) 27.922 14.739 ( -0.193 -0.112 -13.222) 13.224 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 10.290 5.941 3.514) 12.391 1.963 ( 11.914 6.879 12.130) 18.341 2.551 ( 12.491 7.211 -2.589) 14.654 3.160 ( 11.398 6.581 2.312) 13.363 3.856 ( 11.331 6.542 -10.819) 16.978 4.389 ( 20.286 11.712 3.558) 23.693 7.863 ( 15.124 8.732 0.778) 17.481 8.467 ( -13.259 -7.655 0.123) 15.311 10.524 ( -4.676 -2.700 -0.647) 5.438 10.849 ( 4.115 2.376 -22.879) 23.367 13.037 ( -23.953 -13.829 15.859) 31.882 14.688 ( -0.296 -0.171 -10.273) 10.279 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 6.675 3.854 1.225) 7.804 2.275 ( 12.610 7.280 8.231) 16.726 2.836 ( 12.397 7.157 -1.197) 14.365 3.326 ( 3.644 2.104 -6.220) 7.510 3.967 ( 4.013 2.317 -3.673) 5.913 4.948 ( 23.947 13.826 3.560) 27.880 8.210 ( 14.914 8.610 -0.429) 17.226 8.285 ( -2.120 -1.224 -2.496) 3.496 10.437 ( -2.698 -1.558 0.230) 3.124 10.783 ( -3.686 -2.128 -17.476) 17.987 12.479 ( -28.605 -16.515 11.261) 34.897 14.687 ( 2.328 1.344 -4.549) 5.284 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 4.559 2.632 0.054) 5.265 2.576 ( 11.837 6.834 5.693) 14.807 3.088 ( 9.731 5.618 -0.557) 11.250 3.308 ( -2.010 -1.160 -12.963) 13.169 4.051 ( 3.129 1.806 3.450) 4.996 5.438 ( 17.987 10.385 2.496) 20.919 8.353 ( 8.628 4.981 -4.246) 10.830 8.520 ( 12.305 7.104 -1.755) 14.316 10.404 ( -0.562 -0.325 1.405) 1.548 10.612 ( -6.868 -3.965 -11.894) 14.295 11.830 ( -29.927 -17.279 6.109) 35.093 14.757 ( 3.992 2.305 0.436) 4.630 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 2.799 1.616 -0.491) 3.269 2.843 ( 10.126 5.847 3.805) 12.297 3.184 ( -4.462 -2.576 -14.663) 15.542 3.268 ( 6.104 3.524 -0.295) 7.055 4.117 ( 1.362 0.786 5.394) 5.619 5.776 ( 11.042 6.375 1.869) 12.887 8.629 ( 16.464 9.506 -6.459) 20.078 8.749 ( 8.346 4.819 -2.789) 10.033 10.399 ( -10.472 -6.046 -4.267) 12.823 10.410 ( 0.305 0.176 2.467) 2.492 11.219 ( -22.768 -13.145 1.752) 26.349 14.854 ( 3.706 2.139 3.429) 5.483 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 1.031 0.595 -0.705) 1.384 2.944 ( -4.900 -2.829 -6.519) 8.632 3.152 ( 8.670 5.005 -5.248) 11.303 3.361 ( 2.179 1.258 -0.166) 2.522 4.137 ( -1.155 -0.667 5.247) 5.414 5.947 ( 3.514 2.029 1.522) 4.333 8.881 ( 4.108 2.372 -3.089) 5.660 9.030 ( 20.079 11.593 -10.432) 25.424 10.071 ( -17.763 -10.255 5.376) 21.203 10.418 ( -0.671 -0.387 2.910) 3.012 10.897 ( -5.191 -2.997 -1.702) 6.231 14.936 ( 2.216 1.279 5.025) 5.639 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -0.798 -0.461 -0.695) 1.154 2.758 ( -7.956 -4.593 -7.949) 12.148 3.365 ( -1.783 -1.030 -0.081) 2.061 3.381 ( 11.225 6.481 -4.007) 13.567 4.092 ( -4.263 -2.461 5.338) 7.261 5.942 ( -4.438 -2.562 1.458) 5.328 8.915 ( -0.530 -0.306 -2.510) 2.583 9.324 ( 0.172 0.099 -8.888) 8.890 9.832 ( 4.624 2.669 4.565) 7.024 10.393 ( -2.159 -1.247 2.505) 3.534 10.917 ( 5.860 3.383 -0.789) 6.812 14.985 ( 0.724 0.418 5.913) 5.972 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -2.695 -1.556 -0.477) 3.148 2.550 ( -8.567 -4.946 -5.282) 11.214 3.281 ( -5.595 -3.230 -0.016) 6.461 3.614 ( 10.078 5.819 -7.637) 13.920 3.982 ( -6.599 -3.810 7.314) 10.561 5.755 ( -12.320 -7.113 1.604) 14.316 8.834 ( -6.293 -3.633 -1.237) 7.371 9.077 ( -14.197 -8.197 4.382) 16.969 10.236 ( 24.722 14.274 -10.779) 30.514 10.347 ( -1.917 -1.107 1.360) 2.598 11.114 ( 10.672 6.162 1.542) 12.419 15.012 ( 0.228 0.131 6.241) 6.246 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -4.751 -2.743 0.011) 5.486 2.333 ( -9.645 -5.568 -1.676) 11.262 3.114 ( -8.960 -5.173 -0.005) 10.346 3.679 ( -5.431 -3.135 -6.790) 9.243 3.941 ( 4.090 2.361 4.695) 6.659 5.393 ( -19.961 -11.525 1.856) 23.124 8.618 ( -12.469 -7.199 0.159) 14.399 8.806 ( -10.603 -6.122 7.016) 14.111 10.332 ( 0.662 0.382 0.016) 0.765 10.783 ( 26.369 15.224 -19.295) 36.048 11.390 ( 12.435 7.180 6.783) 15.881 15.040 ( 0.808 0.467 5.528) 5.606 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.000 18.485 15.433) 24.081 1.063 ( 0.000 26.522 15.836) 30.890 1.698 ( 0.000 15.906 37.214) 40.471 2.067 ( -0.000 3.230 -4.921) 5.887 2.178 ( 0.000 13.947 -4.825) 14.758 4.537 ( -0.000 -19.277 -3.597) 19.610 7.113 ( 0.000 5.733 2.720) 6.345 8.286 ( 0.000 73.339 -29.432) 79.024 10.682 ( -0.000 -13.165 -6.734) 14.787 10.845 ( -0.000 -3.640 -1.596) 3.974 14.158 ( -0.000 -15.147 5.002) 15.951 14.553 ( 0.000 10.266 -6.499) 12.151 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 5.270 21.179 11.700) 24.763 1.427 ( 5.996 13.295 21.356) 25.861 2.114 ( 4.237 6.920 -2.853) 8.601 2.161 ( 16.277 21.268 20.746) 33.877 2.436 ( 12.667 20.650 -5.323) 24.803 4.326 ( -4.675 -7.935 -6.698) 11.388 7.233 ( 4.684 8.631 2.629) 10.166 8.999 ( 18.187 22.590 -12.790) 31.696 10.423 ( -9.671 1.116 -20.552) 22.741 10.795 ( -1.414 -3.390 -2.537) 4.464 13.944 ( -6.877 -18.748 9.587) 22.151 14.670 ( 3.829 7.389 -10.766) 13.608 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 9.290 17.396 9.034) 21.692 1.680 ( 4.744 9.689 19.678) 22.441 2.247 ( 5.818 8.985 -4.727) 11.701 2.670 ( 15.326 13.404 8.744) 22.159 3.031 ( 26.476 27.609 -1.342) 38.276 4.196 ( -1.948 -1.873 -8.040) 8.482 7.455 ( 8.546 11.553 2.345) 14.560 9.030 ( -12.352 -13.417 5.407) 19.022 10.450 ( 9.670 10.181 -26.426) 29.925 10.726 ( -2.817 1.432 -7.110) 7.780 13.636 ( -11.044 -19.790 13.999) 26.638 14.720 ( -0.178 3.578 -12.991) 13.476 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 7.712 10.576 9.684) 16.282 1.931 ( 6.852 11.209 10.706) 16.947 2.470 ( 8.652 13.313 -3.262) 16.209 3.037 ( 12.378 8.690 3.717) 15.574 3.668 ( 18.528 15.654 -8.053) 25.557 4.244 ( 9.837 9.082 -0.794) 13.412 7.758 ( 11.120 14.024 1.836) 17.991 8.635 ( -16.193 -11.596 2.635) 20.090 10.532 ( 0.745 -3.686 -4.315) 5.724 10.737 ( 3.473 5.949 -21.500) 22.577 13.256 ( -15.743 -20.633 15.135) 30.044 14.681 ( -2.024 1.827 -11.585) 11.902 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 4.792 9.127 2.552) 10.619 2.194 ( 9.270 9.002 10.462) 16.626 2.763 ( 9.183 15.261 -1.474) 17.872 3.255 ( 5.792 2.984 -3.590) 7.439 3.896 ( 5.918 4.239 -6.828) 9.981 4.713 ( 22.372 17.516 3.604) 28.641 8.104 ( 11.425 14.917 1.100) 18.822 8.346 ( -7.970 -3.789 -0.258) 8.828 10.472 ( -2.561 -1.512 -0.552) 3.025 10.730 ( 0.280 -2.258 -18.901) 19.038 12.770 ( -22.153 -21.068 11.640) 32.713 14.650 ( 0.684 0.964 -6.517) 6.623 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 2.518 7.856 0.703) 8.279 2.475 ( 10.413 7.791 7.435) 14.980 3.048 ( 6.910 14.396 -0.748) 15.986 3.283 ( -0.307 -0.485 -11.046) 11.061 4.012 ( 4.660 2.720 1.170) 5.521 5.242 ( 19.343 13.494 2.663) 23.734 8.277 ( 3.101 2.273 -1.458) 4.112 8.452 ( 8.953 15.774 -0.383) 18.142 10.425 ( -1.996 -0.018 0.086) 1.998 10.612 ( -2.980 -5.153 -13.685) 14.924 12.168 ( -27.362 -19.519 6.457) 34.225 14.688 ( 4.438 -0.314 -0.982) 4.556 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.731 7.029 -0.129) 7.068 2.739 ( 10.109 6.208 4.945) 12.852 3.175 ( -2.446 -2.173 -12.849) 13.259 3.289 ( 2.036 13.422 -1.504) 13.659 4.103 ( 2.778 0.747 4.497) 5.339 5.640 ( 13.783 8.264 2.047) 16.200 8.449 ( 11.903 7.094 -3.283) 14.241 8.725 ( 5.365 14.568 -1.526) 15.600 10.392 ( -0.282 -3.237 -1.897) 3.763 10.471 ( -5.465 -3.036 -4.626) 7.777 11.537 ( -27.017 -13.786 2.373) 30.423 14.775 ( 6.311 -1.937 2.662) 7.118 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -1.053 6.108 -0.536) 6.221 2.942 ( 3.277 0.711 0.228) 3.361 3.066 ( 1.299 1.174 -11.327) 11.462 3.427 ( -1.389 12.471 -0.282) 12.551 4.145 ( 0.734 -1.382 5.039) 5.277 5.883 ( 7.433 3.177 1.685) 8.257 8.775 ( 17.727 9.133 -6.561) 20.993 8.905 ( 0.912 12.167 -2.375) 12.430 10.262 ( -12.520 -6.043 1.299) 13.962 10.373 ( 1.530 -5.752 1.230) 6.077 11.076 ( -16.377 -1.017 -0.916) 16.434 14.868 ( 6.071 -3.419 4.548) 8.321 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -2.823 4.857 -0.667) 5.657 2.818 ( -6.962 -3.960 -8.256) 11.503 3.240 ( 10.663 5.531 -3.683) 12.564 3.480 ( -5.677 10.529 -0.126) 11.963 4.129 ( -1.665 -3.438 5.113) 6.382 5.962 ( 0.241 -1.552 1.538) 2.199 8.977 ( -2.738 7.441 -3.072) 8.503 9.142 ( 15.894 6.330 -10.192) 19.914 9.953 ( -13.821 -4.360 8.063) 16.584 10.376 ( 2.994 -3.567 1.273) 4.828 10.946 ( -3.836 6.999 -1.795) 8.181 14.937 ( 4.721 -4.347 5.408) 8.392 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -4.463 3.157 -0.547) 5.494 2.630 ( -7.979 -3.475 -5.949) 10.542 3.432 ( -5.871 6.617 -1.617) 8.993 3.472 ( 6.968 6.524 -5.054) 10.801 4.053 ( -4.180 -4.912 6.202) 8.948 5.869 ( -7.539 -5.604 1.623) 9.533 8.934 ( -6.500 1.092 -1.738) 6.816 9.200 ( -7.276 -5.326 -2.621) 9.390 9.984 ( 13.197 10.010 -1.658) 16.647 10.393 ( -0.234 1.375 1.125) 1.792 11.032 ( 5.645 7.061 -0.356) 9.047 14.979 ( 3.496 -4.392 5.580) 7.915 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -5.930 0.728 -0.072) 5.975 2.443 ( -9.041 -2.594 -2.584) 9.754 3.306 ( -13.181 5.171 -0.139) 14.160 3.636 ( 5.588 1.831 -10.641) 12.158 3.955 ( -2.957 -3.451 8.380) 9.533 5.606 ( -15.610 -8.822 1.853) 18.025 8.770 ( -10.236 -4.214 0.544) 11.083 8.953 ( -12.826 -5.436 2.954) 14.241 10.306 ( 6.382 2.571 -1.688) 7.084 10.504 ( 14.658 14.272 -11.364) 23.403 11.256 ( 12.038 6.038 3.806) 13.995 15.010 ( 3.088 -3.563 4.831) 6.751 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 0.000 19.451 10.953) 22.322 1.592 ( 0.000 16.057 19.158) 24.997 2.130 ( 0.000 6.672 -5.885) 8.897 2.317 ( 0.000 23.968 19.838) 31.113 2.563 ( 0.000 30.203 -3.837) 30.446 4.263 ( -0.000 -6.924 -8.222) 10.749 7.299 ( 0.000 11.433 2.441) 11.691 9.034 ( 0.000 13.860 -3.188) 14.222 10.488 ( -0.000 6.451 -27.991) 28.725 10.736 ( -0.000 -6.215 -1.499) 6.394 13.815 ( -0.000 -23.551 11.383) 26.157 14.690 ( -0.000 8.754 -11.091) 14.129 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 4.271 17.406 9.291) 20.187 1.800 ( 1.154 12.170 18.311) 22.017 2.235 ( 4.938 10.079 -5.517) 12.506 2.645 ( 7.764 17.427 8.576) 20.917 3.003 ( 12.444 35.090 -0.379) 37.233 4.177 ( -0.942 -1.775 -8.657) 8.887 7.475 ( 4.913 14.197 2.279) 15.195 9.053 ( -3.624 -10.642 6.508) 12.990 10.432 ( -3.123 10.462 -26.121) 28.311 10.708 ( 2.311 -1.972 -7.838) 8.406 13.577 ( -4.035 -25.162 14.047) 29.099 14.736 ( -0.321 6.552 -12.423) 14.049 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 4.835 11.745 9.128) 15.641 2.002 ( 3.184 12.340 12.411) 17.789 2.464 ( 8.431 15.602 -3.599) 18.095 2.957 ( 9.173 11.579 3.454) 15.171 3.546 ( 14.242 22.911 -5.720) 27.576 4.204 ( 5.083 9.376 -3.106) 11.108 7.754 ( 8.586 17.072 2.311) 19.248 8.777 ( -13.131 -13.592 3.969) 19.311 10.443 ( 2.794 1.423 -11.299) 11.726 10.702 ( 0.753 1.416 -15.538) 15.621 13.268 ( -7.965 -25.971 14.960) 31.012 14.720 ( -3.102 4.225 -12.079) 13.167 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 5.290 10.301 5.861) 12.978 2.209 ( 4.078 10.427 9.370) 14.600 2.783 ( 8.891 19.050 -1.595) 21.083 3.174 ( 6.268 4.234 -2.732) 8.042 3.824 ( 6.216 7.651 -7.529) 12.404 4.573 ( 16.919 20.984 2.872) 27.107 8.101 ( 9.740 18.845 2.355) 21.343 8.464 ( -10.834 -5.931 0.719) 12.372 10.464 ( 1.882 -0.871 -2.889) 3.556 10.647 ( -0.664 -3.007 -17.227) 17.500 12.876 ( -13.255 -25.947 12.576) 31.735 14.661 ( -3.070 2.065 -8.841) 9.584 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 2.286 10.618 1.486) 10.963 2.427 ( 7.376 8.287 9.155) 14.384 3.097 ( 5.991 16.542 -1.364) 17.646 3.244 ( 2.276 2.386 -8.991) 9.576 3.964 ( 4.982 4.875 -0.533) 6.991 5.078 ( 17.608 16.875 2.376) 24.504 8.287 ( -2.016 1.521 0.510) 2.576 8.496 ( 7.672 19.992 1.213) 21.448 10.465 ( -2.449 0.094 -1.911) 3.108 10.536 ( 0.576 -5.528 -13.293) 14.408 12.381 ( -19.373 -23.577 7.685) 31.468 14.624 ( 0.649 -0.911 -3.862) 4.020 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 0.080 10.403 0.571) 10.419 2.661 ( 8.348 6.580 6.554) 12.488 3.149 ( -1.339 -2.137 -11.777) 12.044 3.413 ( 2.867 19.118 -1.273) 19.374 4.076 ( 3.120 2.298 3.225) 5.042 5.492 ( 14.342 10.042 1.831) 17.603 8.356 ( 5.919 6.272 -0.311) 8.629 8.815 ( 4.982 20.103 0.742) 20.725 10.345 ( -2.068 -7.593 -8.552) 11.622 10.519 ( -1.737 2.635 -1.242) 3.391 11.826 ( -22.656 -17.307 2.828) 28.650 14.643 ( 5.055 -4.312 0.411) 6.657 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -2.024 9.902 -0.046) 10.107 2.870 ( 7.377 3.695 4.091) 9.209 3.048 ( -2.632 -1.309 -12.816) 13.149 3.615 ( -1.219 18.681 -0.170) 18.722 4.130 ( 0.868 -0.351 4.106) 4.211 5.772 ( 9.936 3.653 1.618) 10.709 8.590 ( 12.327 8.747 -2.180) 15.271 9.047 ( 0.182 17.241 -0.090) 17.242 10.245 ( 2.064 -7.150 -5.394) 9.191 10.450 ( -9.768 0.057 2.742) 10.145 11.351 ( -18.112 -5.266 -0.980) 18.888 14.704 ( 7.687 -7.034 2.977) 10.837 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -4.156 8.356 -0.469) 9.344 2.868 ( -5.129 -2.367 -6.817) 8.853 3.113 ( 8.666 4.899 -3.332) 10.498 3.732 ( -6.069 17.539 0.340) 18.563 4.125 ( -0.930 -3.059 4.092) 5.193 5.911 ( 4.540 -1.614 1.534) 5.056 8.885 ( 12.982 5.274 -6.192) 15.319 9.167 ( -2.742 13.729 0.407) 14.006 10.193 ( -11.719 -7.179 3.358) 14.148 10.266 ( 1.230 1.869 0.296) 2.257 11.125 ( -9.138 5.271 -2.752) 10.903 14.775 ( 8.159 -8.464 4.122) 12.458 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -5.767 4.581 -0.766) 7.405 2.728 ( -7.502 0.742 -5.409) 9.279 3.308 ( 10.012 3.945 -5.354) 12.019 3.752 ( -11.312 16.148 0.488) 19.722 4.068 ( -2.158 -5.554 4.785) 7.642 5.903 ( -1.950 -5.391 1.537) 5.935 8.972 ( -0.404 -5.496 -4.410) 7.058 9.281 ( -1.605 11.023 -1.385) 11.225 9.996 ( -4.310 3.334 2.452) 5.975 10.373 ( 4.687 4.825 1.367) 6.864 11.074 ( -2.897 6.049 -2.512) 7.162 14.837 ( 7.383 -8.479 4.229) 12.012 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -6.534 -0.173 -0.380) 6.547 2.598 ( -9.465 4.111 -2.415) 10.599 3.480 ( 7.760 2.535 -8.781) 11.989 3.668 ( -15.034 12.905 -0.554) 19.821 3.984 ( -2.504 -5.814 7.129) 9.534 5.748 ( -9.387 -7.503 1.627) 12.127 8.828 ( -5.211 -9.686 0.033) 10.999 9.196 ( -14.800 3.559 0.240) 15.224 10.171 ( 12.873 10.551 -4.964) 17.369 10.489 ( 1.048 8.448 -0.680) 8.540 11.146 ( 6.728 4.003 0.488) 7.844 14.888 ( 6.474 -7.331 3.316) 10.327 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 14.024 7.435) 15.873 1.965 ( 0.000 11.372 17.029) 20.477 2.274 ( 0.000 12.058 -5.771) 13.368 2.785 ( 0.000 17.838 5.708) 18.729 3.258 ( 0.000 35.227 -1.188) 35.247 4.158 ( -0.000 2.855 -7.419) 7.949 7.585 ( 0.000 16.048 1.549) 16.123 8.999 ( -0.000 -12.261 7.206) 14.222 10.511 ( -0.000 10.376 -31.439) 33.106 10.594 ( -0.000 -7.061 -0.983) 7.130 13.392 ( -0.000 -27.442 15.255) 31.397 14.774 ( -0.000 7.292 -12.164) 14.182 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 3.457 9.951 5.377) 11.827 2.124 ( 0.778 10.521 14.001) 17.531 2.462 ( 7.621 15.694 -3.709) 17.836 2.985 ( 3.153 13.087 1.617) 13.559 3.599 ( 5.001 22.469 -6.013) 23.791 4.245 ( 3.158 16.013 -1.626) 16.402 7.807 ( 5.846 17.901 1.283) 18.875 8.832 ( -6.984 -12.425 3.355) 14.643 10.426 ( -2.927 1.010 -11.882) 12.279 10.608 ( 4.332 -2.398 -13.472) 14.353 13.135 ( -3.231 -28.739 15.306) 32.720 14.786 ( -2.491 6.140 -11.631) 13.387 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 5.308 8.578 4.136) 10.903 2.286 ( 2.216 9.466 10.670) 14.434 2.792 ( 11.318 18.291 -1.799) 21.584 3.128 ( 2.987 5.131 -4.020) 7.170 3.805 ( 3.910 10.496 -6.121) 12.765 4.580 ( 9.789 25.320 2.372) 27.250 8.134 ( 9.653 19.494 1.680) 21.818 8.583 ( -9.723 -6.447 -0.617) 11.683 10.401 ( 2.256 -0.214 -5.528) 5.975 10.571 ( 0.364 -5.354 -12.538) 13.639 12.807 ( -6.788 -29.324 13.315) 32.913 14.736 ( -5.192 4.049 -9.848) 11.846 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 6.047 9.308 2.548) 11.389 2.447 ( 3.157 7.973 9.129) 12.525 3.133 ( 3.503 8.663 -4.550) 10.394 3.197 ( 8.271 10.240 -5.631) 14.317 3.946 ( 3.807 7.445 -0.905) 8.411 5.013 ( 12.002 20.885 1.960) 24.168 8.365 ( -4.145 2.400 -0.036) 4.789 8.561 ( 8.464 19.305 0.931) 21.100 10.419 ( 0.904 -6.716 -12.060) 13.833 10.482 ( 0.719 0.578 -1.679) 1.916 12.408 ( -10.884 -27.824 9.463) 31.340 14.644 ( -5.013 0.899 -6.615) 8.349 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 2.331 10.693 1.196) 11.009 2.620 ( 6.311 5.917 7.772) 11.630 3.109 ( -0.647 -2.233 -10.743) 10.992 3.520 ( 7.194 19.107 -1.287) 20.457 4.070 ( 2.929 5.184 2.314) 6.388 5.383 ( 11.121 12.555 1.327) 16.825 8.364 ( 0.842 6.408 0.353) 6.473 8.922 ( 7.491 20.771 1.753) 22.150 10.264 ( -2.309 -10.005 -10.233) 14.497 10.564 ( 2.042 6.278 -0.158) 6.603 11.960 ( -14.423 -22.483 4.747) 27.130 14.561 ( -1.286 -3.362 -2.803) 4.562 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -0.576 10.643 1.094) 10.715 2.804 ( 6.391 4.038 4.971) 9.047 3.035 ( -1.420 -1.351 -11.196) 11.366 3.778 ( 2.993 15.560 0.103) 15.845 4.159 ( 0.168 6.029 2.655) 6.590 5.643 ( 9.313 4.052 1.152) 10.221 8.518 ( 6.835 9.821 0.705) 11.986 9.202 ( 2.409 16.875 1.515) 17.113 10.118 ( 0.412 -9.467 -7.241) 11.925 10.626 ( -4.535 7.692 1.607) 9.073 11.544 ( -13.731 -11.762 -0.001) 18.080 14.525 ( 3.929 -7.641 0.366) 8.600 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -4.037 8.389 -0.774) 9.342 2.891 ( -0.009 -0.444 -1.012) 1.105 3.035 ( 4.240 5.130 -5.627) 8.716 3.924 ( 1.000 6.519 2.751) 7.145 4.209 ( -5.289 11.735 0.799) 12.897 5.790 ( 6.992 -2.865 1.243) 7.658 8.755 ( 8.777 8.607 -1.031) 12.336 9.337 ( -2.209 10.471 1.742) 10.842 10.060 ( 4.673 -8.687 -4.487) 10.837 10.551 ( -13.466 9.470 4.355) 17.029 11.300 ( -8.212 0.663 -3.632) 9.004 14.543 ( 8.014 -10.395 2.187) 13.307 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -6.025 1.547 -2.311) 6.636 2.871 ( -5.297 7.072 -2.047) 9.070 3.175 ( 7.671 3.761 -4.493) 9.653 3.969 ( 0.851 -2.277 5.350) 5.877 4.203 ( -12.101 16.476 -0.971) 20.465 5.834 ( 3.388 -7.003 1.332) 7.892 8.898 ( 2.017 -0.799 -2.637) 3.415 9.410 ( -0.121 9.796 2.367) 10.078 10.022 ( 1.458 -7.977 -2.991) 8.643 10.500 ( -7.422 17.441 4.690) 19.526 11.197 ( -6.283 3.334 -4.270) 8.297 14.599 ( 9.760 -10.890 2.532) 14.841 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -6.545 -0.089 -0.663) 6.579 2.818 ( -9.334 8.031 -1.517) 12.406 3.329 ( 8.597 2.234 -7.430) 11.580 3.955 ( 0.600 -6.259 6.821) 9.277 4.106 ( -17.724 15.992 -1.087) 23.897 5.776 ( -2.069 -7.955 1.334) 8.328 8.813 ( -4.471 -7.729 -0.348) 8.936 9.452 ( -8.184 5.096 1.184) 9.713 10.047 ( 9.049 3.076 -4.697) 10.649 10.626 ( -2.506 17.757 3.427) 18.257 11.121 ( -1.823 -0.111 -2.608) 3.184 14.671 ( 9.629 -9.540 1.537) 13.641 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 0.000 7.476 2.803) 7.984 2.256 ( 0.000 8.839 13.268) 15.942 2.536 ( 0.000 16.250 -2.964) 16.518 3.080 ( 0.000 9.708 -2.420) 10.005 3.729 ( 0.000 15.064 -6.563) 16.432 4.425 ( 0.000 26.171 1.541) 26.217 7.931 ( 0.000 17.935 0.002) 17.935 8.786 ( -0.000 -9.875 -0.368) 9.882 10.453 ( -0.000 -0.173 -19.642) 19.643 10.463 ( -0.000 -5.533 0.043) 5.534 12.916 ( -0.000 -30.303 14.773) 33.712 14.841 ( -0.000 6.702 -10.682) 12.610 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 4.190 6.391 1.590) 7.806 2.379 ( 0.797 7.618 11.426) 13.755 2.771 ( 9.086 16.253 -1.703) 18.698 3.135 ( 0.215 3.746 -7.238) 8.153 3.854 ( 1.412 11.289 -3.584) 11.928 4.743 ( 3.725 28.694 2.314) 29.027 8.170 ( 7.311 17.984 -0.299) 19.416 8.649 ( -5.348 -5.368 -4.647) 8.888 10.362 ( -0.610 -1.851 -6.671) 6.950 10.456 ( 2.530 -5.480 -5.655) 8.271 12.629 ( -2.959 -31.253 12.782) 33.895 14.840 ( -4.055 5.763 -9.382) 11.734 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 7.316 6.705 1.351) 10.015 2.505 ( 2.001 6.297 9.999) 11.985 3.115 ( 5.093 3.847 -7.803) 10.081 3.136 ( 8.301 12.252 -3.324) 15.168 3.977 ( 1.824 8.792 -0.311) 8.985 5.095 ( 5.458 24.111 1.661) 24.777 8.448 ( -0.302 6.106 -2.497) 6.604 8.583 ( 7.041 13.044 -2.693) 15.065 10.314 ( -0.019 -6.528 -7.579) 10.003 10.446 ( 2.835 -0.037 -0.437) 2.869 12.284 ( -5.486 -30.570 9.845) 32.581 14.759 ( -7.615 3.566 -7.585) 11.324 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 8.346 7.424 1.264) 11.241 2.630 ( 2.740 5.092 8.719) 10.462 3.070 ( -0.824 -1.650 -10.365) 10.527 3.522 ( 12.727 16.577 -1.238) 20.936 4.084 ( 2.365 5.744 1.660) 6.429 5.391 ( 4.945 16.247 0.948) 17.010 8.434 ( -1.397 6.269 -2.496) 6.891 8.955 ( 11.975 18.256 0.268) 21.835 10.183 ( -2.873 -9.116 -6.698) 11.671 10.554 ( 5.875 5.351 0.218) 7.950 11.914 ( -7.265 -26.733 6.576) 28.472 14.617 ( -8.305 0.166 -5.215) 9.808 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 4.321 2.392 7.516) 8.993 2.772 ( 5.194 9.738 0.326) 11.042 3.006 ( -0.917 -1.297 -9.587) 9.718 3.831 ( 5.598 11.564 -0.658) 12.865 4.209 ( 4.867 8.308 1.976) 9.830 5.580 ( 3.626 6.861 0.580) 7.782 8.535 ( 3.685 10.295 0.085) 10.935 9.286 ( 6.699 14.444 0.779) 15.941 10.021 ( -2.736 -9.184 -5.434) 11.017 10.723 ( 4.337 9.234 0.242) 10.205 11.576 ( -7.077 -18.196 3.040) 19.759 14.467 ( -5.088 -4.172 -2.503) 7.039 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 3.769 -0.456 3.823) 5.388 2.871 ( -2.855 5.825 -1.821) 6.738 3.020 ( 3.843 6.555 -5.479) 9.368 3.926 ( 0.486 -0.145 1.738) 1.811 4.421 ( 2.226 18.211 0.243) 18.348 5.660 ( 3.609 -2.740 0.641) 4.577 8.734 ( 5.890 10.878 1.081) 12.417 9.451 ( -0.149 7.443 1.280) 7.554 9.900 ( 1.291 -8.908 -4.489) 10.059 10.838 ( -4.461 11.725 2.838) 12.862 11.370 ( -3.251 -5.353 -1.801) 6.516 14.364 ( 0.999 -8.197 -0.133) 8.258 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -5.113 0.577 -2.924) 5.918 2.960 ( 3.043 3.185 2.447) 5.038 3.139 ( 1.474 9.405 -4.920) 10.716 3.905 ( 0.931 -6.724 3.686) 7.724 4.583 ( -7.504 21.969 -0.709) 23.226 5.672 ( 5.243 -9.763 0.924) 11.120 8.892 ( 1.168 4.773 0.455) 4.934 9.493 ( -0.359 5.625 2.468) 6.153 9.856 ( 4.724 -8.822 -4.399) 10.931 10.852 ( -9.002 15.446 5.385) 18.671 11.301 ( -3.968 1.647 -5.062) 6.639 14.345 ( 7.043 -9.956 0.916) 12.229 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -6.125 1.189 -0.505) 6.260 3.015 ( -2.857 4.985 0.175) 5.749 3.226 ( 2.592 6.005 -6.641) 9.321 3.870 ( 2.564 -8.411 5.240) 10.236 4.570 ( -16.741 17.730 -0.706) 24.395 5.665 ( 5.043 -9.984 1.014) 11.231 8.851 ( -5.890 -2.838 1.248) 6.656 9.571 ( -0.719 4.410 1.536) 4.725 9.878 ( 8.680 -2.974 -4.720) 10.318 10.909 ( -5.088 17.718 5.784) 19.320 11.186 ( -8.233 -1.114 -4.973) 9.682 14.405 ( 10.251 -8.813 0.182) 13.520 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.000 5.146 0.495) 5.170 2.473 ( 0.000 5.848 10.837) 12.314 2.835 ( 0.000 14.758 -1.243) 14.811 3.130 ( -0.000 0.797 -10.167) 10.198 3.948 ( 0.000 10.983 -0.940) 11.023 5.004 ( 0.000 28.097 1.861) 28.158 8.266 ( 0.000 15.991 -1.599) 16.071 8.629 ( -0.000 -3.052 -9.289) 9.778 10.313 ( -0.000 -4.786 -6.100) 7.753 10.392 ( -0.000 -1.815 1.190) 2.170 12.375 ( -0.000 -32.406 10.778) 34.152 14.911 ( -0.000 6.258 -8.308) 10.402 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 5.236 4.826 0.292) 7.127 2.563 ( 0.958 4.315 10.300) 11.209 3.049 ( 7.413 10.398 -2.853) 13.085 3.103 ( 2.157 2.297 -8.909) 9.450 4.050 ( 0.149 8.907 0.457) 8.920 5.284 ( 1.549 24.053 1.136) 24.129 8.474 ( 5.421 11.537 -2.842) 13.060 8.576 ( 1.469 4.008 -9.257) 10.193 10.250 ( -0.870 -5.060 -1.560) 5.366 10.405 ( 2.021 0.714 1.300) 2.507 12.066 ( -2.059 -32.041 8.170) 33.130 14.899 ( -5.522 5.367 -7.150) 10.508 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 9.054 4.981 0.379) 10.341 2.655 ( 2.131 2.763 10.062) 10.650 3.040 ( -0.615 -0.599 -10.024) 10.061 3.415 ( 15.559 12.886 -0.924) 20.223 4.123 ( -0.113 5.416 0.930) 5.496 5.519 ( 0.969 17.950 0.528) 17.984 8.502 ( -1.179 5.676 -6.769) 8.912 8.872 ( 15.374 13.820 -2.067) 20.776 10.157 ( -3.831 -5.263 -0.555) 6.533 10.491 ( 5.537 2.721 1.075) 6.263 11.742 ( -2.740 -28.608 5.974) 29.354 14.786 ( -10.266 3.384 -5.854) 12.293 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 8.655 3.603 1.686) 9.525 2.758 ( 4.741 2.898 7.659) 9.462 2.996 ( -1.346 0.584 -8.332) 8.460 3.799 ( 12.768 12.067 -1.380) 17.622 4.178 ( 3.486 2.730 1.380) 4.638 5.658 ( -1.604 10.542 0.116) 10.664 8.574 ( 2.741 9.298 -2.957) 10.135 9.247 ( 12.801 11.279 -1.503) 17.127 10.019 ( -6.221 -4.709 -0.415) 7.814 10.654 ( 10.018 3.299 -0.461) 10.558 11.469 ( -2.050 -20.532 4.804) 21.186 14.595 ( -12.126 0.588 -4.168) 12.836 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 3.991 -1.267 4.875) 6.426 2.951 ( 0.617 6.056 -0.382) 6.099 2.963 ( 6.133 3.222 -3.811) 7.906 3.950 ( -1.889 1.904 -0.807) 2.801 4.416 ( 15.032 10.474 0.792) 18.338 5.667 ( -4.611 2.121 -0.061) 5.076 8.746 ( 5.631 10.360 -0.166) 11.793 9.477 ( 5.002 5.072 -1.339) 7.249 9.860 ( -6.292 -4.903 -0.261) 7.981 10.881 ( 10.708 5.483 -1.854) 12.172 11.317 ( 0.076 -9.128 3.860) 9.911 14.383 ( -9.720 -2.548 -2.091) 10.263 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 1.094 -0.941 0.443) 1.510 2.934 ( -0.434 1.847 -0.490) 1.959 3.178 ( 6.465 9.193 -0.570) 11.253 3.871 ( -3.906 -5.129 0.408) 6.460 4.783 ( 9.967 16.814 0.011) 19.546 5.553 ( -4.723 -7.725 0.112) 9.055 8.919 ( 3.219 6.088 0.479) 6.903 9.550 ( 0.890 3.710 0.246) 3.824 9.727 ( -1.950 -6.242 -1.224) 6.653 11.050 ( 1.353 6.367 0.763) 6.554 11.314 ( 2.715 0.442 -0.266) 2.763 14.228 ( -3.042 -4.685 -0.336) 5.596 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -4.332 2.335 -0.101) 4.922 2.978 ( 4.396 -1.264 -0.344) 4.587 3.332 ( -0.761 11.456 -2.893) 11.840 3.758 ( 0.134 -9.773 2.803) 10.168 4.994 ( -10.331 18.772 -0.595) 21.436 5.429 ( 7.287 -14.445 0.687) 16.193 8.937 ( -4.080 -0.584 1.320) 4.327 9.610 ( -0.983 1.226 1.281) 2.028 9.703 ( 7.284 0.096 -3.146) 7.934 11.076 ( -2.628 1.089 2.341) 3.684 11.338 ( -4.428 5.901 -1.930) 7.626 14.199 ( 4.752 -4.126 -0.161) 6.295 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 0.000 3.874 0.034) 3.874 2.619 ( 0.000 2.440 10.312) 10.597 3.056 ( -0.000 -0.691 -10.451) 10.474 3.087 ( 0.000 11.207 -0.547) 11.221 4.135 ( 0.000 7.498 0.583) 7.520 5.499 ( 0.000 20.979 0.422) 20.984 8.526 ( 0.000 11.413 -1.942) 11.577 8.557 ( -0.000 2.529 -12.060) 12.322 10.228 ( 0.000 -2.614 3.245) 4.167 10.405 ( 0.000 1.976 1.383) 2.412 11.784 ( -0.000 -32.090 5.547) 32.566 14.985 ( -0.000 5.637 -6.378) 8.512 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 5.939 3.444 0.132) 6.867 2.675 ( 1.112 0.615 10.580) 10.656 3.020 ( -0.371 0.684 -8.803) 8.837 3.285 ( 10.929 9.389 -0.514) 14.417 4.189 ( -1.054 4.863 0.128) 4.977 5.686 ( -0.076 16.265 -0.108) 16.266 8.549 ( -0.615 5.964 -8.361) 10.288 8.733 ( 11.895 9.409 -2.224) 15.328 10.197 ( -3.128 -0.984 4.114) 5.261 10.448 ( 2.024 1.845 0.896) 2.882 11.491 ( 0.216 -28.877 3.508) 29.090 14.961 ( -6.693 4.702 -5.629) 9.929 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 9.857 2.968 0.126) 10.294 2.732 ( 2.387 -1.226 9.881) 10.239 3.007 ( -0.558 2.813 -6.311) 6.932 3.622 ( 17.682 8.518 -0.663) 19.638 4.193 ( -1.956 1.571 -0.322) 2.530 5.802 ( -2.151 10.723 -0.417) 10.944 8.612 ( 1.695 8.820 -3.879) 9.784 9.074 ( 16.961 7.946 -1.932) 18.829 10.124 ( -6.878 1.060 3.269) 7.689 10.502 ( 5.657 -3.738 -0.815) 6.829 11.281 ( 2.535 -19.145 3.362) 19.602 14.820 ( -12.280 3.177 -4.654) 13.511 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 5.631 -1.137 2.758) 6.373 2.832 ( 9.117 1.077 3.843) 9.952 3.015 ( -1.317 4.706 -2.255) 5.382 3.971 ( 7.733 6.357 -2.436) 10.303 4.210 ( 9.782 0.030 0.836) 9.817 5.808 ( -6.258 4.907 -0.633) 7.977 8.749 ( 4.312 9.000 -0.474) 9.991 9.378 ( 10.832 3.935 -2.541) 11.802 9.995 ( -10.317 0.576 2.647) 10.666 10.619 ( 15.859 -5.260 -3.035) 16.982 11.222 ( 3.575 -7.321 4.572) 9.342 14.594 ( -14.882 1.647 -3.143) 15.299 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 3.726 -3.174 2.510) 5.501 2.982 ( 0.875 2.973 -2.449) 3.950 3.099 ( 8.392 5.199 3.994) 10.649 3.934 ( -6.936 -1.661 -2.820) 7.670 4.576 ( 22.968 4.348 0.745) 23.388 5.679 ( -11.243 -0.180 -0.707) 11.267 8.895 ( 4.320 3.439 -0.273) 5.529 9.516 ( 4.712 2.509 -2.492) 5.891 9.821 ( -10.071 -0.704 3.216) 10.595 10.899 ( 18.005 0.452 -4.961) 18.682 11.253 ( 3.544 -2.853 5.430) 7.084 14.354 ( -12.937 0.919 -1.223) 13.027 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 0.000 2.563 0.275) 2.578 2.694 ( 0.000 -1.395 10.690) 10.781 3.015 ( -0.000 2.524 -6.556) 7.025 3.265 ( 0.000 6.987 -0.177) 6.989 4.240 ( 0.000 3.271 -0.808) 3.369 5.829 ( 0.000 12.573 -0.617) 12.588 8.599 ( 0.000 7.730 -5.943) 9.750 8.698 ( 0.000 7.050 -0.420) 7.063 10.237 ( 0.000 0.119 4.630) 4.631 10.463 ( 0.000 2.742 0.055) 2.743 11.212 ( -0.000 -26.768 1.205) 26.795 15.050 ( -0.000 4.399 -5.321) 6.904 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 6.188 1.870 0.348) 6.474 2.711 ( 1.003 -3.256 9.754) 10.332 3.035 ( -0.140 4.962 -3.270) 5.944 3.425 ( 11.609 4.985 -0.122) 12.634 4.242 ( -1.934 1.049 -1.739) 2.804 5.922 ( -1.039 8.015 -0.879) 8.130 8.680 ( 0.349 10.261 -0.599) 10.285 8.871 ( 12.392 5.483 0.061) 13.551 10.237 ( -1.316 1.072 2.677) 3.170 10.432 ( -4.295 -4.241 -1.934) 6.338 11.038 ( 5.683 -16.140 1.348) 17.165 15.011 ( -7.220 3.399 -4.873) 9.350 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 9.116 0.427 0.188) 9.128 2.731 ( 3.304 -3.774 7.325) 8.878 3.083 ( -0.673 6.571 0.312) 6.613 3.739 ( 19.470 3.556 -0.383) 19.796 4.185 ( -3.567 -1.498 -2.327) 4.515 5.936 ( -3.779 3.253 -1.089) 5.103 8.796 ( 0.864 9.285 3.139) 9.839 9.178 ( 15.902 4.247 -0.801) 16.479 10.202 ( -11.220 0.929 1.498) 11.358 10.313 ( 9.207 -8.486 -3.725) 13.063 11.073 ( 7.692 -5.020 2.664) 9.563 14.851 ( -12.870 2.561 -3.897) 13.689 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 3.819 -3.994 1.991) 5.874 2.853 ( 11.117 -0.739 1.952) 11.311 3.138 ( -1.298 7.075 3.651) 8.067 4.016 ( -1.966 0.610 -4.834) 5.254 4.193 ( 19.802 -2.616 1.258) 20.014 5.846 ( -7.883 -0.501 -1.181) 7.986 8.876 ( 0.315 1.570 2.229) 2.745 9.430 ( 9.106 4.069 -1.949) 10.162 9.999 ( -9.502 -2.404 2.121) 10.028 10.538 ( 19.818 1.931 -3.664) 20.246 11.160 ( 5.184 -3.388 3.746) 7.238 14.621 ( -15.223 2.673 -2.210) 15.613 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 0.000 1.021 0.636) 1.202 2.691 ( 0.000 -4.662 8.808) 9.966 3.091 ( 0.000 7.049 0.308) 7.056 3.358 ( 0.000 2.499 0.041) 2.500 4.256 ( -0.000 -0.426 -2.863) 2.895 5.987 ( 0.000 4.005 -1.125) 4.160 8.798 ( 0.000 12.527 5.131) 13.537 8.807 ( 0.000 3.750 1.828) 4.172 10.200 ( -0.000 -7.414 -3.225) 8.085 10.489 ( -0.000 0.151 -1.862) 1.868 10.843 ( -0.000 -8.240 1.706) 8.415 15.088 ( -0.000 2.533 -4.997) 5.602 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 5.939 0.016 0.520) 5.961 2.672 ( 0.992 -5.587 7.127) 9.111 3.172 ( -0.409 8.523 3.435) 9.198 3.478 ( 12.048 0.350 0.101) 12.054 4.213 ( -2.376 -2.232 -3.839) 5.036 5.990 ( -1.459 -0.470 -1.349) 2.042 8.900 ( 1.623 5.140 5.709) 7.851 8.987 ( 8.764 8.573 5.560) 13.462 10.100 ( 1.779 -11.510 -7.704) 13.964 10.395 ( -7.334 2.033 -0.623) 7.636 10.910 ( 7.922 0.585 1.939) 8.177 15.032 ( -6.968 1.747 -4.652) 8.559 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 6.265 -2.736 0.378) 6.847 2.682 ( 5.917 -4.759 4.672) 8.915 3.257 ( -1.507 8.906 5.681) 10.670 3.755 ( 20.312 -1.852 -0.114) 20.396 4.111 ( -4.430 -3.832 -4.563) 7.425 5.917 ( -3.763 -4.332 -1.510) 5.933 8.928 ( -3.498 -0.877 5.137) 6.277 9.265 ( 13.324 3.271 2.067) 13.874 10.023 ( 1.500 -4.624 -3.489) 5.983 10.384 ( 2.868 6.872 -1.083) 7.524 11.053 ( 6.000 1.091 2.008) 6.420 14.872 ( -11.846 1.891 -3.496) 12.495 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -0.000 -0.805 0.773) 1.116 2.625 ( -0.000 -6.576 6.154) 9.007 3.283 ( 0.000 9.931 6.152) 11.682 3.363 ( -0.000 -2.043 0.144) 2.048 4.191 ( -0.000 -3.825 -4.951) 6.256 5.970 ( -0.000 -4.964 -1.558) 5.203 8.862 ( 0.000 -0.114 3.069) 3.071 9.100 ( 0.000 8.624 13.597) 16.102 9.970 ( -0.000 -5.271 -9.103) 10.519 10.444 ( -0.000 -2.944 -2.916) 4.144 10.894 ( 0.000 8.927 1.741) 9.095 15.089 ( -0.000 0.786 -5.066) 5.127 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 5.139 -2.143 0.418) 5.583 2.581 ( 1.314 -7.264 4.730) 8.767 3.390 ( -0.106 7.971 7.141) 10.702 3.445 ( 11.102 -2.166 1.032) 11.358 4.109 ( -2.250 -5.183 -6.025) 8.260 5.885 ( -1.128 -9.237 -1.746) 9.469 8.914 ( 4.424 -4.151 2.518) 6.568 9.154 ( 0.623 -3.456 7.234) 8.042 9.986 ( 2.031 9.320 -1.992) 9.745 10.405 ( 0.453 -0.295 -1.645) 1.732 11.029 ( 2.857 9.755 0.279) 10.169 15.026 ( -6.037 0.662 -4.695) 7.676 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -0.000 -2.935 0.544) 2.985 2.508 ( -0.000 -8.450 3.803) 9.266 3.280 ( -0.000 -6.441 0.135) 6.442 3.533 ( 0.000 9.773 9.749) 13.804 4.050 ( -0.000 -6.337 -7.300) 9.667 5.772 ( -0.000 -14.140 -1.931) 14.271 8.818 ( -0.000 -6.500 2.145) 6.845 9.096 ( -0.000 -12.380 0.642) 12.396 10.148 ( 0.000 22.825 8.068) 24.209 10.363 ( -0.000 -2.927 -2.080) 3.591 11.130 ( 0.000 14.014 -1.942) 14.147 15.064 ( -0.000 0.136 -5.271) 5.273 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.000 -0.000 19.375) 19.375 0.787 ( 0.000 -0.000 19.375) 19.375 1.694 ( 0.000 -0.000 43.566) 43.566 2.019 ( -0.000 0.000 -5.156) 5.156 2.019 ( -0.000 0.000 -5.156) 5.156 4.895 ( -0.000 0.000 -16.824) 16.824 7.067 ( 0.000 -0.000 2.893) 2.893 7.067 ( 0.000 -0.000 2.893) 2.893 10.879 ( -0.000 0.000 -1.611) 1.611 10.879 ( -0.000 0.000 -1.611) 1.611 14.297 ( 0.000 -0.000 1.422) 1.422 14.440 ( -0.000 0.000 -0.842) 0.842 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 11.740 6.778 16.057) 21.014 1.220 ( 20.772 11.993 17.258) 29.549 1.937 ( 12.524 7.231 34.700) 37.593 2.034 ( 2.727 1.575 -5.320) 6.182 2.155 ( 12.536 7.238 -4.743) 15.233 4.502 ( -16.124 -9.309 -8.033) 20.277 7.130 ( 4.747 2.740 2.801) 6.155 8.152 ( 64.669 37.337 -22.375) 77.954 10.586 ( -21.489 -12.407 -3.648) 25.080 10.845 ( -2.665 -1.538 -1.612) 3.474 14.204 ( -9.096 -5.252 4.413) 11.392 14.525 ( 6.959 4.018 -5.780) 9.898 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 16.384 9.459 11.467) 22.122 1.606 ( 8.636 4.986 22.326) 24.452 2.113 ( 5.749 3.319 -5.385) 8.548 2.462 ( 18.773 10.839 15.326) 26.548 2.571 ( 29.631 17.107 -2.067) 34.277 4.231 ( -6.451 -3.724 -9.340) 11.946 7.297 ( 9.075 5.239 2.454) 10.762 9.125 ( 14.741 8.511 -3.630) 17.404 10.180 ( -0.061 -0.035 -23.680) 23.680 10.754 ( -4.693 -2.709 -1.569) 5.641 13.953 ( -14.328 -8.272 10.182) 19.427 14.626 ( 3.431 1.981 -11.401) 12.070 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 13.994 8.079 7.929) 18.000 1.838 ( 7.434 4.292 18.988) 20.838 2.271 ( 9.767 5.639 -4.711) 12.222 2.874 ( 15.674 9.049 5.476) 18.909 3.304 ( 30.359 17.528 -2.597) 35.152 4.144 ( 2.202 1.271 -6.952) 7.402 7.552 ( 12.660 7.309 1.911) 14.743 8.898 ( -21.326 -12.313 6.174) 25.387 10.443 ( 18.455 10.655 -27.692) 34.942 10.633 ( -5.325 -3.075 -1.411) 6.309 13.616 ( -18.798 -10.853 13.321) 25.468 14.622 ( 0.242 0.140 -12.189) 12.192 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 8.918 5.149 4.009) 11.051 2.082 ( 9.731 5.618 13.823) 17.814 2.528 ( 13.279 7.667 -2.525) 15.540 3.172 ( 8.729 5.040 0.084) 10.080 3.763 ( 11.543 6.664 -9.536) 16.389 4.417 ( 22.285 12.866 2.610) 25.864 7.872 ( 14.681 8.476 1.179) 16.993 8.480 ( -14.809 -8.550 2.749) 17.320 10.516 ( -4.375 -2.526 -1.014) 5.153 10.651 ( 6.148 3.550 -20.623) 21.810 13.160 ( -24.811 -14.324 10.998) 30.688 14.606 ( 1.630 0.941 -7.447) 7.681 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 5.959 3.440 1.321) 7.007 2.357 ( 11.049 6.379 9.582) 15.956 2.826 ( 12.750 7.361 -0.942) 14.752 3.258 ( 0.653 0.377 -8.712) 8.744 3.941 ( 7.274 4.200 -1.908) 8.613 4.978 ( 23.606 13.629 2.945) 27.417 8.209 ( 14.335 8.276 0.180) 16.554 8.277 ( -3.275 -1.891 0.798) 3.865 10.437 ( -2.220 -1.282 -0.235) 2.574 10.631 ( -1.957 -1.130 -15.791) 15.952 12.558 ( -29.959 -17.297 6.064) 35.121 14.661 ( 4.175 2.411 -1.107) 4.947 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 4.229 2.442 0.054) 4.884 2.630 ( 10.720 6.189 6.186) 13.839 3.083 ( 9.846 5.685 -0.380) 11.376 3.188 ( -3.191 -1.842 -13.147) 13.653 4.081 ( 4.553 2.628 3.105) 6.105 5.460 ( 17.748 10.247 2.273) 20.619 8.329 ( 7.397 4.270 -0.958) 8.594 8.507 ( 11.694 6.752 -1.077) 13.546 10.415 ( 0.002 0.001 0.926) 0.926 10.508 ( -4.675 -2.699 -10.991) 12.245 11.869 ( -30.861 -17.818 2.525) 35.724 14.773 ( 5.033 2.906 3.078) 6.577 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 2.655 1.533 -0.540) 3.113 2.876 ( 9.396 5.425 3.576) 11.424 3.052 ( -4.616 -2.665 -14.237) 15.202 3.265 ( 6.146 3.549 -0.203) 7.100 4.163 ( 1.666 0.962 4.599) 4.985 5.793 ( 10.878 6.280 1.832) 12.694 8.580 ( 14.712 8.494 -4.112) 17.478 8.725 ( 7.924 4.575 -2.295) 9.433 10.359 ( -6.912 -3.991 -4.468) 9.147 10.432 ( 0.731 0.422 2.137) 2.298 11.229 ( -23.947 -13.826 0.477) 27.655 14.893 ( 4.167 2.406 5.057) 6.980 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 1.000 0.577 -0.787) 1.397 2.868 ( -6.432 -3.714 -9.578) 12.120 3.117 ( 9.985 5.765 -2.720) 11.847 3.360 ( 2.204 1.272 -0.142) 2.548 4.184 ( -1.102 -0.636 4.888) 5.051 5.962 ( 3.441 1.987 1.582) 4.277 8.853 ( 4.050 2.338 -3.029) 5.572 8.938 ( 17.620 10.173 -9.668) 22.526 10.119 ( -14.248 -8.226 5.153) 17.240 10.444 ( -0.577 -0.333 2.908) 2.984 10.879 ( -5.601 -3.234 -2.038) 6.781 14.985 ( 2.420 1.397 5.796) 6.434 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -0.740 -0.427 -0.786) 1.161 2.687 ( -6.997 -4.039 -7.434) 10.979 3.337 ( 10.226 5.904 -5.602) 13.069 3.364 ( -1.761 -1.017 -0.121) 2.037 4.142 ( -3.890 -2.246 5.552) 7.141 5.956 ( -4.406 -2.544 1.626) 5.342 8.890 ( -0.175 -0.101 -3.004) 3.011 9.222 ( 5.999 3.464 -12.822) 14.574 9.891 ( -1.815 -1.048 7.996) 8.266 10.418 ( -2.465 -1.423 2.919) 4.077 10.907 ( 6.758 3.902 -1.250) 7.903 15.039 ( 0.814 0.470 5.878) 5.953 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.000 16.228 14.696) 21.893 1.206 ( 0.000 26.365 15.613) 30.641 2.017 ( -0.000 3.128 -6.099) 6.855 2.034 ( 0.000 10.548 34.769) 36.333 2.132 ( 0.000 13.425 -3.668) 13.917 4.475 ( -0.000 -17.989 -9.884) 20.526 7.139 ( 0.000 5.630 2.775) 6.277 8.074 ( 0.000 69.898 -17.900) 72.154 10.629 ( -0.000 -19.152 -4.943) 19.779 10.830 ( -0.000 -3.622 -1.562) 3.945 14.202 ( -0.000 -12.117 4.558) 12.946 14.502 ( 0.000 6.815 -5.041) 8.477 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 4.539 19.467 12.202) 23.419 1.610 ( 8.391 14.183 18.748) 24.961 2.066 ( 3.299 5.366 -6.131) 8.791 2.369 ( 10.434 13.351 9.017) 19.194 2.392 ( 14.825 24.408 9.730) 30.169 4.248 ( -4.923 -8.278 -10.362) 14.147 7.257 ( 4.636 8.532 2.555) 10.040 8.891 ( 24.215 35.045 -10.602) 43.897 10.263 ( -14.699 -10.242 -14.743) 23.201 10.775 ( -1.630 -4.173 -1.907) 4.870 14.027 ( -5.690 -16.095 8.710) 19.165 14.578 ( 2.474 5.523 -9.506) 11.269 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 8.306 16.499 9.547) 20.792 1.859 ( 3.977 7.440 19.178) 20.951 2.201 ( 6.285 9.386 -5.504) 12.566 2.734 ( 13.968 12.237 4.708) 19.158 3.032 ( 24.604 25.700 2.084) 35.640 4.116 ( -0.888 -0.739 -9.459) 9.529 7.476 ( 8.368 11.554 2.264) 14.445 9.091 ( -12.230 -13.337 8.087) 19.821 10.197 ( 11.932 15.315 -27.754) 33.870 10.686 ( -3.684 -2.680 -2.896) 5.398 13.755 ( -10.169 -18.393 12.136) 24.269 14.605 ( -0.437 3.319 -12.043) 12.500 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 6.141 11.148 5.804) 13.988 2.061 ( 5.578 7.553 15.250) 17.909 2.440 ( 9.408 14.205 -3.246) 17.344 3.063 ( 10.754 7.012 1.790) 12.962 3.594 ( 15.577 13.423 -7.839) 22.006 4.237 ( 13.740 12.352 -0.730) 18.491 7.775 ( 10.754 14.148 1.903) 17.873 8.669 ( -17.528 -13.101 4.675) 22.377 10.449 ( 9.216 2.970 -14.711) 17.612 10.598 ( -2.776 1.181 -8.044) 8.591 13.376 ( -16.411 -20.485 11.145) 28.516 14.585 ( -0.454 2.487 -9.239) 9.579 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 3.716 8.556 2.302) 9.608 2.294 ( 7.996 7.763 11.483) 16.002 2.751 ( 9.567 15.730 -1.090) 18.443 3.210 ( 2.935 0.708 -6.369) 7.048 3.845 ( 8.674 6.489 -4.319) 11.662 4.742 ( 22.407 17.377 2.623) 28.477 8.115 ( 10.854 15.226 1.417) 18.752 8.357 ( -8.820 -4.870 2.626) 10.412 10.465 ( -1.803 -1.196 -1.079) 2.418 10.570 ( 1.180 -1.257 -16.111) 16.203 12.852 ( -23.786 -21.384 6.420) 32.623 14.606 ( 3.037 1.497 -3.017) 4.535 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 2.022 7.683 0.594) 7.967 2.546 ( 9.086 7.058 8.089) 14.064 3.042 ( 6.813 13.932 -0.634) 15.522 3.180 ( -1.618 -0.802 -11.407) 11.549 4.024 ( 6.393 3.904 1.423) 7.625 5.264 ( 19.233 13.262 2.144) 23.460 8.278 ( 2.040 1.701 1.725) 3.167 8.452 ( 8.231 15.906 0.401) 17.914 10.419 ( -1.678 -1.549 -2.027) 3.053 10.500 ( -1.226 -2.267 -10.315) 10.632 12.207 ( -28.537 -19.863 2.221) 34.840 14.693 ( 6.152 -0.261 1.969) 6.465 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 0.445 7.022 -0.199) 7.039 2.784 ( 8.976 5.845 4.879) 11.771 3.056 ( -3.694 -2.891 -12.828) 13.658 3.282 ( 2.773 14.060 -0.426) 14.337 4.140 ( 3.443 1.062 3.596) 5.091 5.657 ( 13.712 8.124 1.804) 16.040 8.431 ( 10.239 6.549 -0.403) 12.161 8.715 ( 4.490 14.760 -0.724) 15.445 10.351 ( -0.127 -5.384 -6.140) 8.168 10.453 ( -2.645 0.893 -0.207) 2.799 11.548 ( -27.574 -14.411 0.099) 31.113 14.808 ( 7.235 -2.157 4.490) 8.784 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -1.211 6.168 -0.570) 6.312 2.904 ( -5.202 -3.365 -9.273) 11.152 3.004 ( 8.779 5.365 -1.382) 10.381 3.425 ( -1.349 12.496 -0.153) 12.570 4.187 ( 0.990 -1.384 4.205) 4.537 5.898 ( 7.373 3.119 1.591) 8.162 8.722 ( 15.023 8.375 -4.926) 17.891 8.887 ( 0.305 12.730 -1.654) 12.841 10.266 ( -6.910 -3.076 -0.418) 7.575 10.390 ( -0.073 -7.018 2.295) 7.384 11.065 ( -16.919 -1.788 -1.428) 17.073 14.913 ( 6.538 -3.726 5.372) 9.246 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -2.879 4.973 -0.652) 5.783 2.742 ( -6.410 -3.026 -8.152) 10.802 3.205 ( 9.512 4.911 -3.824) 11.367 3.479 ( -5.675 10.591 -0.121) 12.016 4.174 ( -1.293 -3.377 4.723) 5.949 5.976 ( 0.253 -1.547 1.545) 2.201 8.945 ( -0.811 6.242 -4.114) 7.520 9.053 ( 11.260 9.092 -8.895) 16.987 10.027 ( -12.583 -4.556 8.191) 15.691 10.387 ( 4.148 -4.446 1.128) 6.184 10.928 ( -3.566 7.020 -1.977) 8.118 14.986 ( 4.982 -4.704 5.375) 8.709 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.000 18.017 10.665) 20.937 1.757 ( 0.000 17.152 17.137) 24.246 2.071 ( -0.000 6.650 -7.172) 9.781 2.455 ( 0.000 18.050 3.411) 18.369 2.576 ( 0.000 29.603 13.457) 32.518 4.174 ( -0.000 -6.874 -11.109) 13.064 7.320 ( 0.000 11.180 2.192) 11.393 9.013 ( 0.000 26.101 -1.410) 26.140 10.255 ( -0.000 -4.890 -23.044) 23.557 10.724 ( -0.000 -6.115 -1.229) 6.237 13.915 ( -0.000 -20.787 10.613) 23.339 14.594 ( -0.000 6.974 -10.065) 12.246 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 4.098 16.103 9.132) 18.961 1.960 ( 1.005 10.605 16.307) 19.478 2.180 ( 5.637 10.715 -6.316) 13.656 2.705 ( 6.801 16.237 4.016) 18.056 3.019 ( 11.215 31.591 4.239) 33.789 4.092 ( -0.357 -0.121 -9.868) 9.875 7.494 ( 5.081 13.945 1.901) 14.962 9.124 ( -3.598 -10.007 9.004) 13.934 10.178 ( -0.231 14.216 -28.300) 31.671 10.667 ( 0.360 -5.216 -2.681) 5.876 13.699 ( -3.900 -23.427 12.786) 26.973 14.626 ( -0.635 6.045 -11.698) 13.183 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 4.675 11.079 6.150) 13.506 2.125 ( 2.145 9.564 13.491) 16.676 2.431 ( 9.198 16.702 -3.493) 19.384 2.982 ( 8.154 9.589 1.927) 12.734 3.496 ( 11.716 19.638 -5.268) 23.466 4.177 ( 7.744 13.561 -2.688) 15.846 7.773 ( 8.747 16.990 1.901) 19.204 8.816 ( -14.228 -15.968 4.566) 21.869 10.311 ( 6.688 8.396 -16.317) 19.531 10.610 ( -1.115 -2.762 -5.863) 6.577 13.393 ( -8.560 -25.461 12.304) 29.546 14.616 ( -2.374 4.693 -10.713) 11.934 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 3.841 9.839 3.055) 10.995 2.306 ( 4.213 8.814 11.063) 14.759 2.770 ( 9.362 19.546 -1.179) 21.705 3.140 ( 4.110 1.456 -4.732) 6.434 3.766 ( 7.690 9.854 -4.977) 13.454 4.595 ( 17.299 21.256 1.888) 27.471 8.121 ( 9.751 19.061 2.049) 21.508 8.477 ( -10.976 -7.540 2.119) 13.484 10.417 ( 4.820 1.063 -8.260) 9.623 10.529 ( -2.697 -3.221 -7.801) 8.861 12.971 ( -14.940 -25.966 8.361) 31.102 14.591 ( -1.050 2.437 -6.177) 6.723 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 1.798 10.360 1.042) 10.566 2.511 ( 6.529 7.536 9.131) 13.520 3.081 ( 4.121 11.088 -2.783) 12.152 3.166 ( 2.849 6.724 -7.488) 10.460 3.963 ( 6.501 6.392 0.148) 9.118 5.096 ( 17.584 16.596 1.650) 24.235 8.300 ( -2.235 0.601 2.471) 3.386 8.509 ( 7.552 20.307 1.621) 21.726 10.401 ( -2.154 -6.740 -10.623) 12.764 10.474 ( 1.252 2.650 -1.759) 3.418 12.431 ( -21.225 -23.591 3.370) 31.912 14.602 ( 2.859 -1.168 -0.898) 3.216 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -0.243 10.479 0.223) 10.484 2.721 ( 7.270 6.041 6.533) 11.490 3.044 ( -2.333 -2.665 -11.144) 11.693 3.406 ( 3.257 19.583 -0.451) 19.858 4.101 ( 3.844 2.733 2.379) 5.282 5.507 ( 14.419 9.840 1.387) 17.511 8.364 ( 5.177 5.814 2.128) 8.071 8.825 ( 4.320 20.403 1.261) 20.893 10.269 ( -0.740 -7.853 -7.786) 11.084 10.512 ( -1.193 4.339 -0.538) 4.532 11.837 ( -23.836 -17.583 -0.191) 29.620 14.657 ( 6.591 -4.915 2.608) 8.625 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -2.265 9.982 -0.195) 10.237 2.908 ( 4.571 1.677 4.018) 6.312 2.935 ( -1.251 0.795 -11.647) 11.741 3.615 ( -1.192 19.009 0.131) 19.047 4.163 ( 1.305 -0.560 2.988) 3.309 5.786 ( 10.016 3.545 1.358) 10.711 8.578 ( 10.369 8.405 -0.288) 13.351 9.050 ( -0.528 17.823 0.678) 17.843 10.198 ( 3.590 -6.629 -4.806) 8.940 10.473 ( -8.431 1.101 2.252) 8.795 11.335 ( -18.630 -6.144 -2.293) 19.750 14.736 ( 8.535 -7.691 4.126) 12.207 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -4.228 8.242 -0.408) 9.272 2.800 ( -5.521 -0.844 -7.771) 9.570 3.091 ( 7.952 4.026 -1.593) 9.054 3.736 ( -6.331 18.184 0.357) 19.258 4.159 ( -0.292 -3.578 3.355) 4.914 5.924 ( 4.593 -1.652 1.398) 5.078 8.833 ( 10.304 5.617 -4.983) 12.750 9.171 ( -3.279 14.963 0.641) 15.331 10.209 ( -0.014 -10.795 0.182) 10.797 10.281 ( -7.953 5.234 2.978) 9.975 11.099 ( -8.789 4.652 -2.908) 10.361 14.814 ( 8.585 -9.143 4.284) 13.253 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.000 11.875 7.109) 13.840 2.111 ( 0.000 10.240 14.640) 17.866 2.217 ( 0.000 13.494 -6.642) 15.040 2.828 ( 0.000 16.002 3.548) 16.391 3.255 ( 0.000 30.749 0.531) 30.754 4.089 ( -0.000 6.490 -7.371) 9.821 7.597 ( 0.000 15.580 1.028) 15.614 9.068 ( -0.000 -15.135 7.701) 16.981 10.243 ( -0.000 14.049 -27.278) 30.683 10.587 ( -0.000 -6.810 -0.512) 6.829 13.525 ( -0.000 -26.362 13.925) 29.813 14.665 ( -0.000 7.252 -11.705) 13.770 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 3.625 8.011 3.999) 9.660 2.243 ( 0.144 9.581 11.545) 15.004 2.430 ( 8.243 16.934 -3.275) 19.116 2.995 ( 2.637 9.953 0.652) 10.317 3.547 ( 4.148 19.812 -5.129) 20.881 4.233 ( 4.126 20.291 -1.154) 20.738 7.816 ( 6.255 17.428 0.662) 18.529 8.855 ( -7.529 -15.935 1.635) 17.700 10.289 ( 0.682 8.081 -15.462) 17.460 10.544 ( 1.823 -5.302 -2.960) 6.340 13.265 ( -3.662 -28.624 13.338) 31.791 14.682 ( -2.286 6.758 -11.041) 13.146 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 5.627 7.574 2.454) 9.750 2.380 ( 1.592 8.911 9.362) 13.023 2.777 ( 11.704 18.709 -1.494) 22.119 3.088 ( 1.915 1.886 -4.440) 5.191 3.759 ( 4.570 12.646 -4.018) 14.034 4.598 ( 9.943 25.765 1.575) 27.662 8.146 ( 10.274 19.189 0.944) 21.786 8.574 ( -9.123 -8.748 -1.483) 12.726 10.336 ( 2.865 1.823 -7.716) 8.430 10.500 ( -0.228 -4.679 -3.971) 6.141 12.916 ( -7.921 -29.680 10.411) 32.435 14.652 ( -4.180 4.694 -8.499) 10.570 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 5.514 8.972 1.379) 10.621 2.529 ( 3.185 7.645 8.252) 11.691 3.076 ( 0.082 -0.640 -6.966) 6.996 3.165 ( 10.954 18.052 -1.839) 21.196 3.941 ( 4.803 8.998 -0.375) 10.206 5.027 ( 11.906 20.651 1.218) 23.869 8.364 ( -3.588 0.581 -0.022) 3.635 8.569 ( 9.666 19.629 0.738) 21.892 10.323 ( -0.690 -6.335 -8.374) 10.523 10.475 ( 1.798 2.037 -0.430) 2.751 12.479 ( -12.640 -27.967 5.983) 31.268 14.593 ( -3.243 0.908 -4.481) 5.606 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 2.384 10.834 0.409) 11.100 2.690 ( 5.358 5.465 7.203) 10.510 3.017 ( -1.299 -2.611 -9.083) 9.539 3.511 ( 7.472 19.195 -0.577) 20.606 4.087 ( 3.467 5.705 1.416) 6.825 5.393 ( 11.174 12.347 0.809) 16.672 8.372 ( 1.656 5.753 1.402) 6.148 8.937 ( 7.709 20.629 1.484) 22.072 10.186 ( -2.269 -9.016 -6.675) 11.445 10.562 ( 2.142 6.741 -0.263) 7.078 11.988 ( -16.299 -22.355 1.598) 27.712 14.545 ( 0.569 -3.969 -0.566) 4.050 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -1.082 11.070 0.102) 11.124 2.853 ( 5.899 3.337 5.538) 8.752 2.938 ( -2.093 -0.885 -9.751) 10.012 3.781 ( 3.492 16.223 0.540) 16.604 4.177 ( 0.280 5.412 1.404) 5.598 5.652 ( 9.499 3.911 0.803) 10.304 8.529 ( 6.442 9.498 1.745) 11.608 9.217 ( 2.356 16.875 1.720) 17.125 10.062 ( 0.912 -8.822 -5.039) 10.200 10.639 ( -3.555 8.564 1.222) 9.353 11.534 ( -15.330 -12.072 -2.042) 19.619 14.536 ( 5.257 -8.451 1.999) 10.151 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -4.211 6.597 -1.649) 7.998 2.869 ( -3.064 3.255 -3.794) 5.863 3.006 ( 5.990 3.727 -0.748) 7.094 3.948 ( 1.371 8.404 2.571) 8.895 4.214 ( -5.137 9.888 0.082) 11.143 5.801 ( 7.171 -2.945 1.000) 7.817 8.749 ( 7.061 8.728 -0.343) 11.231 9.356 ( -2.073 10.959 2.280) 11.384 10.023 ( 5.461 -8.741 -3.593) 10.915 10.588 ( -12.890 10.271 3.778) 16.909 11.264 ( -8.450 0.023 -4.388) 9.521 14.567 ( 8.671 -11.221 2.859) 14.466 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 0.000 6.144 1.667) 6.366 2.364 ( 0.000 8.160 9.983) 12.894 2.510 ( 0.000 17.383 -2.503) 17.562 3.055 ( 0.000 5.615 -2.609) 6.192 3.678 ( 0.000 16.018 -4.668) 16.685 4.438 ( 0.000 27.918 1.161) 27.942 7.928 ( 0.000 17.329 -0.543) 17.337 8.768 ( -0.000 -13.612 -3.726) 14.113 10.310 ( -0.000 4.026 -11.520) 12.203 10.466 ( -0.000 -5.149 0.525) 5.176 13.042 ( -0.000 -30.974 12.843) 33.531 14.744 ( -0.000 7.608 -10.452) 12.928 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 4.483 5.742 0.786) 7.327 2.471 ( 0.572 7.628 8.059) 11.112 2.757 ( 9.198 16.670 -1.361) 19.088 3.074 ( 0.092 0.630 -5.634) 5.670 3.828 ( 1.595 13.415 -2.243) 13.695 4.761 ( 3.699 28.686 1.474) 28.961 8.165 ( 7.815 17.446 -0.839) 19.135 8.595 ( -4.461 -8.032 -7.039) 11.574 10.304 ( 0.249 0.019 -4.362) 4.369 10.437 ( 1.098 -3.772 -0.200) 3.933 12.736 ( -3.381 -32.360 10.635) 34.230 14.755 ( -3.751 6.705 -9.012) 11.843 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 7.632 6.301 0.789) 9.928 2.586 ( 1.751 6.870 7.220) 10.119 3.039 ( 0.321 -1.569 -6.930) 7.112 3.123 ( 12.919 16.186 -0.878) 20.729 3.974 ( 2.212 9.950 -0.356) 10.199 5.107 ( 5.375 23.836 0.893) 24.450 8.416 ( -1.396 2.123 -4.326) 5.017 8.560 ( 10.825 15.077 -2.269) 18.698 10.267 ( -1.523 -5.161 -2.573) 5.965 10.448 ( 2.796 1.051 0.587) 3.044 12.364 ( -6.289 -31.468 7.484) 32.951 14.693 ( -6.803 4.114 -6.692) 10.392 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 8.330 7.376 0.627) 11.144 2.705 ( 2.306 5.584 6.951) 9.209 2.987 ( -0.961 -2.219 -7.174) 7.570 3.513 ( 12.692 16.460 -0.744) 20.799 4.094 ( 2.835 6.162 0.616) 6.811 5.397 ( 4.918 16.032 0.382) 16.774 8.411 ( 0.578 5.567 -2.556) 6.153 8.954 ( 12.814 17.735 -0.393) 21.883 10.143 ( -4.117 -7.591 -2.133) 8.895 10.556 ( 5.525 5.435 0.316) 7.757 11.963 ( -8.490 -26.899 4.207) 28.519 14.576 ( -7.001 0.102 -3.770) 7.952 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 5.665 8.893 0.121) 10.544 2.812 ( 2.762 3.504 6.135) 7.586 2.928 ( -1.084 -1.089 -6.833) 7.003 3.826 ( 6.320 11.582 -0.242) 13.197 4.221 ( 4.712 8.134 0.670) 9.424 5.584 ( 3.751 6.697 0.200) 7.678 8.535 ( 4.932 9.934 0.034) 11.090 9.291 ( 7.414 13.846 0.273) 15.709 9.988 ( -3.718 -8.003 -1.873) 9.021 10.725 ( 4.909 9.062 0.093) 10.307 11.595 ( -9.010 -17.674 1.027) 19.865 14.451 ( -3.651 -4.692 -0.879) 6.010 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -3.488 2.053 -4.204) 5.835 2.906 ( 3.043 1.380 5.493) 6.429 2.979 ( 3.564 9.202 -3.471) 10.461 3.940 ( 1.630 -0.221 1.303) 2.099 4.421 ( 1.805 18.030 -0.276) 18.123 5.665 ( 3.874 -2.863 0.374) 4.831 8.742 ( 5.925 10.707 0.688) 12.256 9.464 ( 0.710 7.132 1.435) 7.310 9.869 ( 0.479 -8.353 -2.260) 8.667 10.862 ( -2.563 11.962 2.409) 12.468 11.348 ( -5.711 -5.113 -2.994) 8.229 14.368 ( 1.992 -8.880 1.059) 9.162 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.000 4.911 0.015) 4.911 2.558 ( 0.000 6.392 6.868) 9.382 2.825 ( 0.000 15.101 -0.935) 15.130 3.051 ( -0.000 -1.303 -6.370) 6.502 3.941 ( 0.000 12.332 -0.723) 12.354 5.017 ( 0.000 27.754 0.939) 27.770 8.250 ( 0.000 15.617 -1.706) 15.710 8.536 ( -0.000 -4.967 -10.820) 11.906 10.288 ( -0.000 -1.845 0.473) 1.905 10.403 ( -0.000 -1.574 1.304) 2.044 12.465 ( -0.000 -34.046 8.959) 35.205 14.835 ( -0.000 7.267 -8.373) 11.086 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 5.406 4.733 0.076) 7.186 2.644 ( 1.007 5.503 6.690) 8.720 3.002 ( 0.607 0.212 -5.153) 5.193 3.062 ( 8.934 11.420 -1.513) 14.578 4.051 ( 0.205 9.419 -0.216) 9.424 5.290 ( 1.568 23.693 0.288) 23.746 8.434 ( 0.875 5.186 -6.432) 8.308 8.506 ( 7.613 9.564 -5.403) 13.365 10.258 ( -1.945 -3.273 2.980) 4.835 10.418 ( 1.954 0.947 1.365) 2.564 12.133 ( -2.143 -33.662 6.554) 34.361 14.834 ( -5.283 6.178 -7.159) 10.832 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 9.197 4.850 0.266) 10.401 2.740 ( 1.941 4.204 7.786) 9.059 2.964 ( -0.709 -1.273 -5.927) 6.104 3.408 ( 15.453 12.895 -0.606) 20.136 4.126 ( 0.143 5.455 -0.263) 5.463 5.521 ( 1.020 17.687 -0.143) 17.717 8.443 ( 0.522 5.875 -6.147) 8.519 8.854 ( 15.835 13.652 -1.914) 20.995 10.168 ( -5.209 -4.025 2.853) 7.175 10.500 ( 5.167 2.451 0.904) 5.790 11.790 ( -2.786 -29.580 4.590) 30.064 14.734 ( -9.684 3.836 -5.473) 11.767 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 9.954 4.334 0.517) 10.869 2.836 ( 2.638 2.445 8.913) 9.611 2.926 ( -1.303 1.176 -6.695) 6.922 3.788 ( 12.548 11.687 -0.992) 17.177 4.184 ( 4.000 2.820 -0.046) 4.894 5.657 ( -1.520 10.340 -0.363) 10.457 8.549 ( 4.197 9.773 -2.568) 10.942 9.232 ( 13.238 10.734 -1.725) 17.131 10.028 ( -7.366 -3.693 2.463) 8.600 10.648 ( 9.561 2.352 -0.816) 9.880 11.508 ( -2.330 -20.256 3.651) 20.714 14.560 ( -11.184 0.672 -3.321) 11.686 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.000 3.960 0.007) 3.960 2.703 ( 0.000 4.155 7.294) 8.395 2.981 ( -0.000 -1.540 -5.129) 5.355 3.083 ( 0.000 11.354 -0.354) 11.360 4.135 ( 0.000 7.465 -0.550) 7.485 5.499 ( 0.000 20.657 -0.391) 20.661 8.456 ( -0.000 3.484 -9.941) 10.534 8.511 ( 0.000 11.680 -1.334) 11.756 10.270 ( 0.000 -1.728 5.914) 6.162 10.415 ( 0.000 1.714 0.887) 1.930 11.830 ( -0.000 -33.938 4.383) 34.220 14.924 ( 0.000 6.391 -6.782) 9.318 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 5.951 3.516 0.205) 6.915 2.771 ( 1.133 2.037 9.775) 10.049 2.952 ( -0.484 0.510 -5.376) 5.422 3.281 ( 10.833 9.524 -0.273) 14.427 4.184 ( -0.972 4.553 -1.232) 4.816 5.682 ( -0.000 16.048 -0.780) 16.067 8.483 ( 0.183 7.834 -6.007) 9.873 8.718 ( 11.597 10.002 -1.084) 15.352 10.241 ( -3.873 -0.949 5.366) 6.686 10.454 ( 2.030 1.076 0.283) 2.314 11.520 ( 0.614 -30.270 2.775) 30.403 14.908 ( -6.466 5.264 -5.985) 10.264 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 9.857 2.948 0.224) 10.290 2.828 ( 1.644 -2.360 11.174) 11.538 2.954 ( -0.402 5.184 -5.298) 7.423 3.617 ( 17.356 8.542 -0.422) 19.348 4.184 ( -1.550 1.193 -1.710) 2.598 5.796 ( -2.057 10.549 -0.941) 10.789 8.585 ( 2.214 11.003 -1.859) 11.376 9.059 ( 16.440 8.182 -1.345) 18.413 10.158 ( -7.426 0.823 4.084) 8.515 10.491 ( 5.387 -5.178 -1.582) 7.638 11.311 ( 3.326 -19.470 3.071) 19.989 14.777 ( -11.739 3.551 -4.690) 13.131 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 0.000 2.706 0.426) 2.740 2.798 ( 0.000 -1.587 12.205) 12.307 2.962 ( -0.000 4.195 -5.034) 6.553 3.264 ( 0.000 7.065 -0.052) 7.065 4.226 ( 0.000 2.817 -2.233) 3.595 5.821 ( 0.000 12.472 -1.163) 12.526 8.561 ( 0.000 11.095 -2.335) 11.338 8.698 ( 0.000 7.776 0.583) 7.797 10.279 ( 0.000 -1.716 4.450) 4.769 10.459 ( 0.000 2.112 -0.794) 2.256 11.222 ( -0.000 -27.759 0.987) 27.776 14.998 ( -0.000 4.856 -5.968) 7.694 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 6.068 1.940 0.506) 6.391 2.806 ( 0.566 -4.944 11.075) 12.142 3.011 ( -0.082 7.918 -2.003) 8.168 3.425 ( 11.536 5.060 0.012) 12.597 4.220 ( -1.822 0.555 -3.069) 3.612 5.912 ( -1.010 7.943 -1.308) 8.113 8.688 ( 0.197 13.875 2.418) 14.086 8.875 ( 11.681 6.167 0.922) 13.241 10.256 ( -0.311 -2.342 1.604) 2.855 10.412 ( -5.270 -4.580 -2.431) 7.393 11.051 ( 6.356 -16.018 1.568) 17.304 14.963 ( -6.919 3.743 -5.457) 9.574 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 0.000 1.095 0.764) 1.335 2.778 ( 0.000 -6.364 9.979) 11.836 3.099 ( 0.000 9.758 1.396) 9.857 3.359 ( 0.000 2.539 0.098) 2.541 4.225 ( -0.000 -0.933 -4.035) 4.142 5.976 ( 0.000 3.961 -1.437) 4.213 8.828 ( 0.000 4.325 2.581) 5.036 8.858 ( 0.000 16.714 7.887) 18.482 10.163 ( -0.000 -12.034 -4.567) 12.871 10.469 ( -0.000 -0.339 -2.534) 2.556 10.860 ( -0.000 -7.185 2.095) 7.484 15.038 ( -0.000 2.783 -5.754) 6.392 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.000 -0.000 17.381) 17.381 0.954 ( 0.000 -0.000 17.381) 17.381 1.968 ( -0.000 0.000 -6.073) 6.073 1.968 ( -0.000 0.000 -6.073) 6.073 2.077 ( 0.000 -0.000 40.386) 40.386 4.729 ( -0.000 0.000 -19.477) 19.477 7.093 ( 0.000 -0.000 2.819) 2.819 7.093 ( 0.000 -0.000 2.819) 2.819 10.864 ( -0.000 0.000 -1.578) 1.578 10.864 ( -0.000 0.000 -1.578) 1.578 14.311 ( 0.000 -0.000 1.577) 1.577 14.432 ( -0.000 0.000 -1.018) 1.018 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 10.111 5.837 15.501) 19.406 1.367 ( 22.246 12.844 15.134) 29.814 1.982 ( 2.788 1.610 -6.098) 6.896 2.080 ( 11.732 6.773 -5.597) 14.657 2.275 ( 7.938 4.583 33.009) 34.258 4.405 ( -14.416 -8.323 -13.069) 21.164 7.155 ( 4.664 2.693 2.600) 5.980 7.993 ( 59.533 34.371 -13.210) 70.000 10.558 ( -23.681 -13.672 -2.535) 27.462 10.830 ( -2.666 -1.539 -1.576) 3.458 14.242 ( -6.989 -4.035 4.120) 9.061 14.477 ( 4.093 2.363 -4.854) 6.774 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 14.903 8.604 12.195) 21.091 1.796 ( 9.512 5.492 19.414) 22.306 2.060 ( 5.893 3.402 -6.188) 9.197 2.481 ( 22.280 12.863 -6.299) 26.486 2.670 ( 21.208 12.244 18.891) 30.929 4.135 ( -6.068 -3.504 -11.739) 13.671 7.318 ( 8.934 5.158 2.240) 10.557 9.095 ( 28.515 16.463 -3.041) 33.066 9.999 ( -13.228 -7.637 -16.146) 22.226 10.740 ( -4.670 -2.696 -1.559) 5.613 14.040 ( -12.362 -7.137 8.894) 16.819 14.528 ( 1.901 1.098 -10.217) 10.450 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 12.256 7.076 8.729) 16.628 2.007 ( 5.864 3.385 17.799) 19.044 2.226 ( 10.614 6.128 -5.211) 13.318 2.910 ( 15.509 8.954 2.114) 18.033 3.285 ( 25.568 14.762 -1.361) 29.555 4.081 ( 5.749 3.319 -6.744) 9.463 7.570 ( 12.462 7.195 1.855) 14.509 8.965 ( -23.266 -13.433 8.479) 28.171 10.208 ( 21.284 12.288 -23.550) 34.038 10.620 ( -5.238 -3.024 -1.487) 6.228 13.721 ( -18.683 -10.787 9.577) 23.604 14.522 ( 1.191 0.688 -9.534) 9.632 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 7.387 4.265 3.945) 9.398 2.209 ( 7.946 4.587 13.960) 16.705 2.507 ( 14.207 8.202 -2.109) 16.540 3.158 ( 5.627 3.248 -3.191) 7.238 3.688 ( 12.874 7.433 -6.613) 16.270 4.436 ( 23.736 13.704 1.652) 27.457 7.884 ( 14.373 8.298 1.425) 16.658 8.517 ( -16.014 -9.246 5.450) 19.278 10.478 ( 7.708 4.450 -17.102) 19.279 10.506 ( -4.152 -2.397 -1.248) 4.954 13.235 ( -26.000 -15.011 5.220) 30.473 14.557 ( 3.784 2.185 -3.183) 5.406 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 5.256 3.035 1.220) 6.191 2.447 ( 9.450 5.456 10.084) 14.858 2.819 ( 13.042 7.530 -0.541) 15.070 3.171 ( -1.414 -0.816 -10.034) 10.166 3.931 ( 9.527 5.500 -0.490) 11.012 5.001 ( 23.503 13.569 2.090) 27.219 8.213 ( 13.855 7.999 0.766) 16.017 8.301 ( -4.268 -2.464 4.407) 6.612 10.433 ( -1.800 -1.039 -0.670) 2.184 10.498 ( -0.676 -0.390 -13.348) 13.370 12.590 ( -30.815 -17.791 1.111) 35.600 14.667 ( 5.655 3.265 2.411) 6.961 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 3.900 2.252 0.043) 4.504 2.687 ( 9.284 5.360 6.043) 12.307 3.073 ( -3.858 -2.227 -11.950) 12.753 3.081 ( 9.907 5.720 -0.147) 11.441 4.106 ( 5.531 3.194 2.484) 6.853 5.479 ( 17.657 10.194 1.803) 20.468 8.337 ( 5.934 3.426 2.795) 7.400 8.501 ( 11.079 6.396 -0.271) 12.796 10.414 ( -2.950 -1.703 -9.656) 10.239 10.420 ( 0.574 0.332 0.338) 0.744 11.877 ( -31.033 -17.917 -0.458) 35.837 14.811 ( 5.658 3.267 5.129) 8.306 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 2.496 1.441 -0.518) 2.928 2.897 ( 7.055 4.073 -3.603) 8.907 2.940 ( -3.467 -2.002 -5.807) 7.053 3.264 ( 6.151 3.551 -0.082) 7.103 4.200 ( 2.043 1.179 3.527) 4.243 5.808 ( 10.797 6.234 1.582) 12.567 8.556 ( 12.372 7.143 -1.124) 14.330 8.708 ( 7.363 4.251 -1.525) 8.638 10.319 ( -3.883 -2.242 -4.429) 6.303 10.449 ( 1.260 0.728 1.554) 2.129 11.229 ( -24.328 -14.046 -0.455) 28.095 14.944 ( 4.334 2.502 5.907) 7.742 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 14.534 12.984) 19.489 1.346 ( 0.000 25.967 14.958) 29.967 1.957 ( -0.000 2.914 -6.845) 7.440 2.067 ( 0.000 13.740 -6.627) 15.255 2.366 ( 0.000 6.186 33.896) 34.456 4.363 ( -0.000 -15.827 -14.179) 21.250 7.163 ( 0.000 5.519 2.453) 6.039 7.948 ( 0.000 65.234 -10.333) 66.047 10.590 ( -0.000 -23.076 -3.791) 23.385 10.817 ( -0.000 -3.568 -1.314) 3.803 14.242 ( -0.000 -9.461 4.339) 10.409 14.459 ( -0.000 3.943 -4.337) 5.862 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 4.444 17.879 11.789) 21.872 1.769 ( 10.256 15.261 16.262) 24.546 2.006 ( 3.656 5.107 -6.966) 9.380 2.313 ( 12.141 20.711 -8.033) 25.316 2.613 ( 8.710 12.390 24.817) 29.073 4.142 ( -4.635 -7.781 -12.816) 15.694 7.279 ( 4.621 8.421 2.133) 9.839 8.809 ( 27.854 43.646 -7.476) 52.313 10.152 ( -18.071 -20.077 -9.843) 28.749 10.760 ( -1.821 -4.380 -1.475) 4.968 14.103 ( -4.771 -13.684 7.942) 16.525 14.497 ( 1.087 3.606 -8.424) 9.228 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 7.442 15.073 9.937) 19.527 2.020 ( 4.190 5.916 15.356) 16.981 2.149 ( 6.816 10.054 -5.483) 13.326 2.749 ( 15.714 14.910 -0.993) 21.685 3.072 ( 18.959 19.805 6.376) 28.148 4.028 ( 0.885 1.110 -9.566) 9.671 7.495 ( 8.309 11.534 1.877) 14.339 9.178 ( -12.774 -14.226 10.963) 22.039 9.957 ( 13.710 17.441 -24.678) 33.184 10.665 ( -3.778 -3.677 -1.863) 5.592 13.854 ( -10.132 -17.305 9.515) 22.196 14.504 ( -0.273 3.073 -9.913) 10.382 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 4.694 9.615 5.206) 11.898 2.194 ( 5.062 5.940 13.497) 15.591 2.412 ( 10.304 15.321 -2.635) 18.650 3.067 ( 8.761 5.469 -1.026) 10.379 3.531 ( 13.833 12.197 -5.726) 19.311 4.231 ( 16.694 14.804 -0.659) 22.322 7.792 ( 10.590 14.230 1.723) 17.821 8.719 ( -18.317 -14.730 6.221) 24.314 10.304 ( 12.332 8.028 -15.276) 21.210 10.558 ( -4.328 -2.200 -2.539) 5.479 13.455 ( -17.965 -20.292 5.885) 27.734 14.518 ( 1.780 2.961 -5.111) 6.169 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 2.937 7.909 1.811) 8.629 2.397 ( 7.055 6.572 10.801) 14.479 2.744 ( 9.886 16.152 -0.513) 18.945 3.143 ( 0.585 -0.814 -7.887) 7.950 3.817 ( 10.708 8.040 -1.897) 13.524 4.761 ( 22.572 17.364 1.558) 28.520 8.129 ( 10.523 15.459 1.552) 18.765 8.394 ( -9.096 -5.995 5.423) 12.170 10.429 ( 3.639 0.426 -10.698) 11.308 10.464 ( -3.371 -1.761 -3.045) 4.872 12.886 ( -25.315 -21.293 1.068) 33.096 14.597 ( 5.269 1.634 0.993) 5.605 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 1.639 7.459 0.406) 7.648 2.618 ( 7.786 6.221 7.368) 12.393 3.032 ( 4.784 9.545 -2.367) 10.936 3.086 ( -0.497 3.261 -7.935) 8.594 4.036 ( 7.471 4.587 1.288) 8.861 5.280 ( 19.284 13.141 1.424) 23.379 8.309 ( 1.376 0.926 4.999) 5.267 8.460 ( 7.522 15.926 1.162) 17.651 10.371 ( -1.199 -4.699 -7.989) 9.345 10.445 ( -0.336 2.070 -2.471) 3.241 12.210 ( -29.070 -19.790 -1.439) 35.196 14.723 ( 7.393 -0.486 4.495) 8.666 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 0.217 6.974 -0.227) 6.981 2.818 ( 6.939 5.223 0.999) 8.742 2.955 ( -3.507 -2.827 -7.543) 8.786 3.280 ( 2.893 14.120 -0.021) 14.413 4.167 ( 3.997 1.286 2.495) 4.884 5.672 ( 13.754 8.043 1.363) 15.991 8.442 ( 8.413 5.514 2.845) 10.454 8.712 ( 3.635 14.933 0.146) 15.370 10.294 ( 0.628 -4.706 -6.248) 7.847 10.454 ( -1.059 1.817 0.199) 2.113 11.541 ( -27.377 -14.667 -1.613) 31.100 14.855 ( 7.740 -2.520 5.617) 9.890 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 17.188 9.627) 19.700 1.904 ( 0.000 17.529 15.092) 23.130 2.001 ( -0.000 6.320 -8.006) 10.200 2.423 ( 0.000 25.274 -6.380) 26.067 2.754 ( 0.000 17.251 20.856) 27.066 4.065 ( -0.000 -5.965 -12.445) 13.801 7.338 ( 0.000 10.900 1.639) 11.023 9.008 ( 0.000 37.945 0.271) 37.946 10.070 ( -0.000 -17.464 -17.667) 24.842 10.714 ( -0.000 -5.973 -0.786) 6.025 14.008 ( -0.000 -18.258 9.744) 20.695 14.508 ( -0.000 5.059 -8.956) 10.286 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 3.928 14.507 8.887) 17.460 2.073 ( 2.253 9.581 3.834) 10.563 2.137 ( 5.372 11.364 1.352) 12.642 2.717 ( 7.377 19.913 -0.793) 21.251 3.077 ( 8.289 23.368 7.784) 25.987 4.003 ( 0.541 2.409 -9.316) 9.638 7.509 ( 5.273 13.659 1.263) 14.695 9.216 ( -4.085 -11.382 11.308) 16.557 9.932 ( 2.045 16.347 -25.330) 30.216 10.650 ( -0.516 -5.710 -1.234) 5.865 13.808 ( -4.162 -21.953 10.924) 24.871 14.526 ( -0.745 5.343 -10.080) 11.433 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 4.024 9.183 4.489) 10.985 2.233 ( 2.686 8.488 9.595) 13.090 2.404 ( 9.827 17.637 -2.347) 20.326 2.991 ( 6.956 8.271 0.298) 10.812 3.454 ( 9.669 16.876 -3.669) 19.793 4.157 ( 9.887 17.036 -1.832) 19.783 7.787 ( 9.015 16.834 1.247) 19.137 8.856 ( -14.651 -18.907 3.929) 24.240 10.174 ( 8.863 12.726 -12.735) 20.067 10.575 ( -1.905 -4.128 -2.272) 5.083 13.488 ( -9.996 -24.891 8.452) 28.124 14.531 ( -0.976 4.792 -7.687) 9.111 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 3.212 9.206 1.756) 9.907 2.398 ( 4.484 7.622 8.620) 12.350 2.762 ( 9.830 19.918 -0.549) 22.219 3.093 ( 1.914 -0.372 -5.108) 5.468 3.733 ( 8.950 11.364 -2.325) 14.652 4.607 ( 17.556 21.506 0.945) 27.778 8.137 ( 9.970 19.134 1.485) 21.627 8.501 ( -10.166 -9.322 3.033) 14.122 10.334 ( 4.846 2.373 -8.387) 9.972 10.491 ( -2.809 -2.900 -2.076) 4.540 13.025 ( -17.094 -25.479 3.397) 30.870 14.552 ( 1.383 2.208 -2.346) 3.506 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 1.493 10.110 0.454) 10.230 2.586 ( 6.122 6.816 6.842) 11.434 3.039 ( -0.434 0.371 -5.611) 5.640 3.124 ( 6.336 16.976 -1.921) 18.222 3.966 ( 7.396 7.145 0.444) 10.293 5.108 ( 17.656 16.464 0.816) 24.155 8.331 ( -1.567 -0.347 4.152) 4.451 8.525 ( 7.513 20.152 1.802) 21.583 10.316 ( -1.361 -5.722 -7.524) 9.550 10.463 ( 0.457 2.928 -1.008) 3.131 12.443 ( -22.799 -23.105 -0.794) 32.470 14.608 ( 4.854 -1.843 2.175) 5.629 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -0.405 10.451 -0.060) 10.459 2.768 ( 5.909 5.602 2.353) 8.475 2.960 ( -2.690 -2.761 -5.783) 6.950 3.405 ( 3.418 19.740 0.153) 20.034 4.118 ( 4.352 2.901 1.382) 5.409 5.517 ( 14.583 9.734 0.802) 17.552 8.394 ( 4.753 4.813 4.445) 8.094 8.838 ( 3.939 20.568 1.648) 21.006 10.207 ( -0.284 -7.245 -5.684) 9.213 10.507 ( -0.743 5.138 -0.647) 5.232 11.824 ( -24.376 -17.522 -2.683) 30.140 14.689 ( 7.668 -5.674 4.362) 10.489 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 8.881 5.804) 10.610 2.155 ( 0.000 16.052 -6.568) 17.344 2.224 ( 0.000 9.180 9.696) 13.352 2.850 ( 0.000 16.661 1.675) 16.745 3.266 ( 0.000 23.991 1.665) 24.048 4.029 ( 0.000 10.756 -5.653) 12.151 7.603 ( 0.000 15.113 0.363) 15.118 9.133 ( -0.000 -20.906 5.939) 21.733 10.026 ( 0.000 20.059 -19.666) 28.091 10.585 ( -0.000 -6.546 0.034) 6.546 13.643 ( -0.000 -25.505 11.883) 28.138 14.564 ( -0.000 6.886 -10.189) 12.297 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 3.711 6.287 1.923) 7.550 2.322 ( 0.681 10.131 5.262) 11.436 2.408 ( 8.231 16.965 -1.374) 18.907 3.001 ( 2.018 7.531 0.959) 7.855 3.508 ( 3.623 18.153 -3.390) 18.819 4.225 ( 4.753 23.312 -0.519) 23.797 7.818 ( 6.616 16.971 -0.041) 18.215 8.857 ( -7.383 -19.873 -1.386) 21.245 10.177 ( 2.509 12.581 -8.506) 15.392 10.531 ( 0.479 -5.521 -0.492) 5.564 13.374 ( -4.449 -28.490 10.421) 30.660 14.590 ( -1.741 6.917 -9.065) 11.535 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 5.814 7.026 1.054) 9.180 2.446 ( 1.949 8.516 4.412) 9.787 2.766 ( 12.044 18.923 -0.934) 22.450 3.056 ( 0.628 -0.158 -2.122) 2.219 3.732 ( 5.142 13.989 -1.965) 15.033 4.609 ( 9.983 26.047 0.775) 27.905 8.151 ( 10.854 18.844 0.102) 21.746 8.556 ( -7.544 -11.017 -2.481) 13.581 10.282 ( 2.289 3.494 -3.358) 5.359 10.480 ( -0.545 -3.948 -0.824) 4.070 12.993 ( -9.565 -29.591 6.577) 31.786 14.586 ( -2.616 4.690 -5.798) 7.903 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 5.215 8.846 0.464) 10.279 2.586 ( 3.760 7.489 3.655) 9.142 3.025 ( -1.086 -2.668 -3.395) 4.452 3.156 ( 11.187 19.312 -0.462) 22.323 3.939 ( 5.426 9.653 -0.094) 11.074 5.035 ( 11.859 20.544 0.412) 23.725 8.364 ( -2.024 -1.045 -0.002) 2.278 8.574 ( 10.680 19.479 0.278) 22.217 10.271 ( -1.917 -5.130 -2.905) 6.199 10.472 ( 1.662 2.456 -0.133) 2.969 12.515 ( -14.616 -27.471 2.054) 31.185 14.565 ( -1.168 0.298 -1.589) 1.994 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 2.270 10.836 -0.127) 11.072 2.735 ( 4.918 5.498 1.290) 7.488 2.960 ( -1.964 -2.816 -2.183) 4.069 3.509 ( 7.724 19.202 0.122) 20.697 4.095 ( 3.800 5.805 0.426) 6.951 5.398 ( 11.280 12.254 0.221) 16.656 8.389 ( 2.944 4.648 2.186) 5.920 8.948 ( 8.213 20.352 1.007) 21.969 10.144 ( -3.039 -8.075 -2.460) 8.972 10.559 ( 2.110 7.151 -0.324) 7.463 11.989 ( -17.924 -21.750 -1.448) 28.221 14.551 ( 2.287 -4.906 1.747) 5.688 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 0.000 5.406 0.042) 5.406 2.425 ( 0.000 7.937 2.878) 8.443 2.492 ( 0.000 18.159 -1.443) 18.217 3.042 ( 0.000 2.597 0.355) 2.621 3.645 ( 0.000 16.970 -2.541) 17.159 4.446 ( 0.000 28.858 0.688) 28.866 7.921 ( 0.000 16.838 -1.011) 16.869 8.720 ( -0.000 -16.907 -6.791) 18.220 10.246 ( 0.000 7.567 -2.523) 7.977 10.472 ( -0.000 -4.852 0.932) 4.941 13.147 ( -0.000 -31.500 10.076) 33.072 14.655 ( -0.000 7.993 -8.948) 11.998 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 4.786 5.529 -0.133) 7.314 2.513 ( 0.834 8.204 0.632) 8.271 2.747 ( 9.230 16.901 -0.814) 19.274 3.046 ( -0.234 -1.367 0.095) 1.390 3.813 ( 1.696 14.501 -1.109) 14.642 4.770 ( 3.686 28.593 0.537) 28.834 8.155 ( 8.145 17.055 -1.253) 18.941 8.525 ( -3.152 -10.003 -8.107) 13.256 10.294 ( -0.107 1.950 2.012) 2.804 10.441 ( 0.530 -3.199 0.791) 3.338 12.820 ( -4.012 -33.072 7.700) 34.193 14.679 ( -3.150 7.059 -7.451) 10.737 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 7.859 6.190 0.181) 10.006 2.621 ( 2.191 8.051 -0.095) 8.345 3.007 ( -0.366 -2.536 0.286) 2.578 3.118 ( 13.020 16.016 -0.140) 20.641 3.970 ( 2.442 10.333 -0.458) 10.627 5.111 ( 5.363 23.635 0.051) 24.236 8.373 ( -0.822 -0.424 -4.934) 5.020 8.542 ( 12.896 16.189 -1.941) 20.788 10.268 ( -3.005 -4.129 2.794) 5.821 10.455 ( 2.561 1.539 0.885) 3.116 12.418 ( -7.365 -31.738 4.471) 32.887 14.640 ( -5.559 4.044 -4.830) 8.402 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.000 4.997 -0.488) 5.020 2.583 ( 0.000 7.960 -1.736) 8.147 2.818 ( 0.000 15.281 -0.480) 15.288 3.030 ( -0.000 -2.920 2.160) 3.633 3.935 ( 0.000 12.796 -0.597) 12.810 5.021 ( 0.000 27.449 -0.070) 27.449 8.235 ( 0.000 15.493 -1.584) 15.573 8.439 ( -0.000 -5.808 -10.170) 11.712 10.318 ( 0.000 -0.296 5.867) 5.875 10.415 ( -0.000 -1.544 1.243) 1.982 12.536 ( -0.000 -35.230 6.476) 35.821 14.762 ( 0.000 7.736 -7.406) 10.709 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 5.552 4.848 -0.169) 7.372 2.666 ( 1.293 8.086 -2.163) 8.469 2.993 ( 0.040 -1.573 3.420) 3.764 3.056 ( 9.185 11.647 0.290) 14.836 4.046 ( 0.235 9.376 -0.842) 9.417 5.289 ( 1.634 23.419 -0.589) 23.483 8.367 ( -0.452 1.515 -7.441) 7.607 8.474 ( 10.063 13.525 -2.197) 17.000 10.302 ( -2.921 -2.789 6.524) 7.673 10.430 ( 2.022 0.947 1.330) 2.599 12.183 ( -2.325 -34.714 4.356) 35.063 14.772 ( -4.805 6.476 -6.271) 10.215 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.000 4.180 -0.021) 4.180 2.729 ( 0.000 8.318 -1.987) 8.553 2.984 ( 0.000 -4.138 6.230) 7.479 3.081 ( 0.000 11.435 -0.110) 11.436 4.125 ( 0.000 7.103 -1.604) 7.282 5.492 ( 0.000 20.449 -1.155) 20.482 8.380 ( -0.000 5.066 -6.617) 8.334 8.502 ( 0.000 12.160 -0.566) 12.173 10.333 ( 0.000 -2.102 7.978) 8.250 10.421 ( 0.000 1.257 0.290) 1.290 11.862 ( -0.000 -35.229 2.737) 35.336 14.864 ( 0.000 6.716 -6.380) 9.264 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.000 -0.000 14.641) 14.641 1.101 ( 0.000 -0.000 14.641) 14.641 1.911 ( -0.000 0.000 -6.435) 6.435 1.911 ( -0.000 0.000 -6.435) 6.435 2.423 ( 0.000 -0.000 35.296) 35.296 4.547 ( -0.000 0.000 -20.308) 20.308 7.117 ( 0.000 -0.000 2.357) 2.357 7.117 ( 0.000 -0.000 2.357) 2.357 10.851 ( -0.000 0.000 -1.325) 1.325 10.851 ( -0.000 0.000 -1.325) 1.325 14.325 ( 0.000 -0.000 1.583) 1.583 14.422 ( -0.000 0.000 -1.120) 1.120 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 9.320 5.381 13.743) 17.455 1.494 ( 23.291 13.447 12.724) 29.752 1.924 ( 2.779 1.605 -6.345) 7.110 2.015 ( 11.097 6.407 -7.721) 14.960 2.567 ( 4.468 2.580 29.882) 30.324 4.273 ( -12.534 -7.236 -15.296) 21.057 7.177 ( 4.603 2.657 2.039) 5.693 7.902 ( 55.190 31.864 -7.298) 64.145 10.539 ( -24.748 -14.289 -1.564) 28.620 10.817 ( -2.698 -1.558 -1.319) 3.383 14.279 ( -5.152 -2.974 3.976) 7.155 14.435 ( 1.626 0.939 -4.418) 4.801 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 13.970 8.065 11.971) 20.088 1.956 ( 10.318 5.957 15.594) 19.625 2.001 ( 5.902 3.408 -6.735) 9.582 2.412 ( 25.410 14.670 -8.329) 30.500 2.842 ( 13.961 8.060 17.810) 24.022 4.024 ( -4.989 -2.881 -12.052) 13.358 7.336 ( 8.874 5.123 1.717) 10.389 9.070 ( 40.374 23.310 -2.392) 46.681 9.886 ( -25.149 -14.520 -8.812) 30.347 10.727 ( -4.699 -2.713 -1.332) 5.587 14.114 ( -11.237 -6.488 7.163) 14.821 14.442 ( 0.842 0.486 -8.472) 8.528 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 10.197 5.887 8.795) 14.696 2.153 ( 5.312 3.067 14.003) 15.287 2.177 ( 11.956 6.903 -5.436) 14.837 2.912 ( 16.661 9.619 -1.552) 19.301 3.280 ( 19.331 11.161 0.205) 22.322 4.025 ( 9.618 5.553 -5.189) 12.258 7.585 ( 12.406 7.163 1.546) 14.409 9.049 ( -25.601 -14.781 9.585) 31.077 10.021 ( 24.163 13.951 -17.367) 32.865 10.606 ( -5.231 -3.020 -1.359) 6.192 13.784 ( -19.576 -11.302 4.041) 22.963 14.456 ( 2.827 1.632 -4.670) 5.697 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 5.920 3.418 3.189) 7.543 2.328 ( 6.917 3.994 11.685) 14.154 2.491 ( 15.134 8.738 -1.250) 17.520 3.116 ( 2.912 1.681 -5.661) 6.584 3.645 ( 14.329 8.273 -2.948) 16.807 4.447 ( 24.697 14.259 0.742) 28.527 7.897 ( 14.245 8.224 1.482) 16.515 8.577 ( -16.627 -9.600 7.549) 20.630 10.344 ( 8.528 4.924 -12.195) 15.675 10.494 ( -4.040 -2.332 -1.317) 4.847 13.254 ( -27.005 -15.591 -0.822) 31.193 14.550 ( 5.610 3.239 1.704) 6.698 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 4.680 2.702 0.927) 5.483 2.533 ( 8.106 4.680 8.299) 12.509 2.816 ( 13.218 7.631 -0.042) 15.263 3.084 ( -2.528 -1.460 -8.614) 9.095 3.930 ( 10.736 6.198 0.290) 12.400 5.016 ( 23.577 13.612 1.104) 27.246 8.222 ( 13.534 7.814 1.255) 15.678 8.356 ( -4.933 -2.848 7.777) 9.640 10.391 ( -0.030 -0.017 -10.090) 10.090 10.426 ( -1.492 -0.861 -1.021) 2.002 12.580 ( -30.996 -17.896 -3.138) 35.929 14.703 ( 6.514 3.761 5.378) 9.247 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 13.368 9.900) 16.635 1.475 ( 0.000 26.269 13.338) 29.461 1.895 ( -0.000 2.565 -6.503) 6.991 2.003 ( 0.000 12.980 -7.201) 14.844 2.650 ( 0.000 3.627 27.816) 28.051 4.227 ( -0.000 -13.759 -15.088) 20.419 7.182 ( 0.000 5.415 1.790) 5.703 7.878 ( 0.000 61.547 -5.465) 61.789 10.560 ( -0.000 -25.752 -2.758) 25.899 10.807 ( -0.000 -3.485 -0.880) 3.594 14.281 ( -0.000 -7.045 4.235) 8.220 14.422 ( -0.000 1.508 -4.019) 4.293 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 5.183 16.740 9.988) 20.171 1.906 ( 10.786 15.455 14.002) 23.479 1.942 ( 3.973 4.846 -6.780) 9.232 2.234 ( 12.185 21.914 -9.364) 26.765 2.820 ( 5.498 8.227 19.828) 22.160 4.025 ( -4.043 -6.824 -12.171) 14.527 7.295 ( 4.642 8.315 1.413) 9.627 8.756 ( 29.704 48.905 -4.310) 57.381 10.082 ( -19.595 -27.142 -5.691) 33.957 10.749 ( -2.049 -4.384 -0.952) 4.932 14.171 ( -4.288 -11.762 6.969) 14.328 14.426 ( -0.000 2.070 -7.221) 7.512 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 6.692 13.438 9.862) 17.962 2.073 ( 7.799 8.706 -5.367) 12.862 2.160 ( 4.604 7.005 9.045) 12.332 2.727 ( 17.890 18.230 -3.239) 25.747 3.133 ( 12.956 13.711 6.080) 19.820 3.950 ( 3.014 3.323 -7.079) 8.381 7.509 ( 8.379 11.500 1.233) 14.282 9.287 ( -15.681 -18.059 12.627) 27.046 9.754 ( 17.726 21.258 -19.350) 33.772 10.651 ( -3.915 -3.955 -1.177) 5.688 13.922 ( -11.364 -16.587 5.041) 20.729 14.431 ( 0.861 2.990 -5.668) 6.466 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 3.416 7.799 3.647) 9.263 2.296 ( 6.064 5.466 8.297) 11.640 2.396 ( 10.697 16.002 -0.714) 19.261 3.046 ( 6.660 4.472 -3.188) 8.633 3.494 ( 13.231 11.708 -2.325) 17.820 4.226 ( 18.447 16.279 -0.464) 24.607 7.806 ( 10.651 14.266 1.316) 17.852 8.778 ( -18.154 -16.216 6.419) 25.174 10.189 ( 12.872 9.849 -9.346) 18.709 10.541 ( -4.390 -2.778 -1.380) 5.375 13.480 ( -19.923 -19.801 -0.301) 28.091 14.496 ( 4.189 3.003 0.283) 5.162 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 2.470 7.317 1.049) 7.793 2.481 ( 6.752 5.612 7.064) 11.269 2.742 ( 10.051 16.411 0.172) 19.246 3.076 ( -0.899 -1.361 -6.104) 6.318 3.808 ( 11.702 8.738 -0.135) 14.605 4.770 ( 22.765 17.416 0.486) 28.667 8.143 ( 10.466 15.576 1.497) 18.825 8.453 ( -8.571 -7.018 7.468) 13.360 10.339 ( 2.971 0.781 -7.832) 8.413 10.450 ( -2.855 -1.323 -1.144) 3.348 12.873 ( -26.321 -20.792 -3.782) 33.756 14.623 ( 6.895 1.362 4.694) 8.452 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.000 17.599 6.543) 18.776 1.931 ( -0.000 5.111 -6.894) 8.582 2.029 ( 0.000 15.905 12.170) 20.027 2.359 ( 0.000 28.823 -7.154) 29.697 2.923 ( 0.000 11.508 15.327) 19.167 3.959 ( -0.000 -4.593 -10.114) 11.108 7.349 ( 0.000 10.633 0.855) 10.667 9.016 ( 0.000 48.248 1.436) 48.270 9.935 ( -0.000 -29.029 -11.860) 31.358 10.710 ( -0.000 -5.811 -0.228) 5.815 14.091 ( -0.000 -16.258 8.391) 18.295 14.433 ( -0.000 3.491 -7.403) 8.185 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 3.644 12.289 8.302) 15.272 2.028 ( 6.604 12.301 -8.113) 16.148 2.199 ( 2.284 8.723 6.091) 10.882 2.704 ( 8.089 23.964 -1.365) 25.330 3.143 ( 5.595 16.189 5.689) 18.049 3.932 ( 1.491 5.121 -5.633) 7.758 7.517 ( 5.467 13.381 0.453) 14.462 9.323 ( -6.457 -18.778 11.370) 22.882 9.727 ( 5.865 23.488 -18.873) 30.696 10.643 ( -1.027 -5.704 -0.317) 5.804 13.893 ( -5.089 -20.830 7.631) 22.760 14.447 ( -0.305 4.680 -6.876) 8.323 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 3.730 7.300 1.758) 8.384 2.291 ( 4.841 9.542 2.932) 11.094 2.392 ( 9.438 16.787 -0.275) 19.260 2.991 ( 5.508 8.004 -0.218) 9.719 3.431 ( 8.657 15.171 -1.290) 17.515 4.145 ( 11.040 19.053 -0.651) 22.030 7.795 ( 9.357 16.633 0.434) 19.089 8.882 ( -13.893 -21.622 1.605) 25.751 10.093 ( 9.483 15.350 -4.737) 18.655 10.563 ( -2.315 -4.332 -0.645) 4.953 13.542 ( -12.230 -23.995 3.085) 27.108 14.482 ( 1.073 4.306 -2.861) 5.280 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 2.996 8.728 0.378) 9.236 2.453 ( 5.411 6.684 2.891) 9.073 2.760 ( 10.188 20.047 0.205) 22.488 3.057 ( 0.121 -0.716 -2.346) 2.456 3.723 ( 9.624 11.869 -0.050) 15.281 4.612 ( 17.647 21.662 0.058) 27.940 8.148 ( 10.367 19.048 0.740) 21.699 8.530 ( -8.345 -10.958 3.139) 14.127 10.280 ( 3.594 3.288 -2.979) 5.710 10.480 ( -2.747 -2.550 -0.539) 3.787 13.032 ( -19.227 -24.449 -1.823) 31.157 14.550 ( 3.701 1.351 1.960) 4.400 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.000 5.151 -0.158) 5.154 2.111 ( 0.000 19.666 -1.732) 19.742 2.278 ( 0.000 7.824 1.738) 8.014 2.865 ( 0.000 18.679 1.979) 18.784 3.280 ( 0.000 18.232 1.082) 18.264 3.992 ( 0.000 14.033 -2.165) 14.199 7.603 ( 0.000 14.714 -0.354) 14.718 9.163 ( -0.000 -28.432 0.003) 28.432 9.901 ( 0.000 27.474 -7.021) 28.357 10.588 ( -0.000 -6.308 0.578) 6.334 13.737 ( -0.000 -24.849 8.454) 26.248 14.484 ( -0.000 6.304 -7.099) 9.494 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 4.156 5.716 -0.971) 7.134 2.338 ( 2.200 11.402 -1.207) 11.674 2.400 ( 7.423 15.381 -0.967) 17.106 3.018 ( 1.229 6.808 2.725) 7.436 3.488 ( 3.455 17.386 -0.903) 17.749 4.223 ( 4.990 24.632 0.067) 25.132 7.815 ( 6.885 16.596 -0.730) 17.982 8.829 ( -6.409 -22.816 -4.629) 24.147 10.142 ( 2.766 15.423 0.853) 15.692 10.532 ( -0.082 -5.363 0.579) 5.394 13.451 ( -5.667 -28.109 6.090) 29.315 14.523 ( -0.770 6.465 -5.427) 8.476 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 0.000 5.647 -1.751) 5.912 2.411 ( 0.000 7.757 -5.862) 9.723 2.485 ( 0.000 18.189 -0.035) 18.189 3.066 ( 0.000 1.827 4.649) 4.995 3.633 ( 0.000 17.279 -0.145) 17.280 4.450 ( 0.000 29.029 0.054) 29.029 7.910 ( 0.000 16.532 -1.338) 16.586 8.650 ( -0.000 -18.806 -8.195) 20.514 10.262 ( 0.000 9.537 5.662) 11.091 10.482 ( -0.000 -4.683 1.208) 4.837 13.222 ( -0.000 -31.663 6.108) 32.247 14.586 ( 0.000 7.692 -6.002) 9.756 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 -0.000 10.525) 10.525 1.216 ( 0.000 -0.000 10.525) 10.525 1.855 ( -0.000 0.000 -5.550) 5.550 1.855 ( -0.000 0.000 -5.550) 5.550 2.707 ( 0.000 -0.000 26.367) 26.367 4.371 ( -0.000 0.000 -17.355) 17.355 7.135 ( 0.000 -0.000 1.564) 1.564 7.135 ( 0.000 -0.000 1.564) 1.564 10.841 ( -0.000 0.000 -0.883) 0.883 10.841 ( -0.000 0.000 -0.883) 0.883 14.339 ( 0.000 -0.000 1.332) 1.332 14.412 ( -0.000 0.000 -1.027) 1.027 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 9.330 5.387 10.268) 14.883 1.593 ( 24.831 14.336 8.505) 29.908 1.870 ( 2.563 1.480 -5.297) 6.068 1.948 ( 9.415 5.436 -6.595) 12.715 2.800 ( 2.436 1.407 20.363) 20.556 4.142 ( -11.059 -6.385 -12.507) 17.875 7.191 ( 4.573 2.640 1.190) 5.413 7.854 ( 52.363 30.232 -3.400) 60.559 10.530 ( -25.064 -14.471 -0.534) 28.946 10.807 ( -2.759 -1.593 -0.872) 3.303 14.315 ( -3.409 -1.968 3.896) 5.538 14.396 ( -0.617 -0.356 -4.227) 4.287 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 14.019 8.094 10.285) 19.178 1.940 ( 5.370 3.101 -6.352) 8.877 2.075 ( 9.325 5.384 9.848) 14.592 2.338 ( 28.550 16.484 -7.244) 33.754 2.975 ( 9.499 5.484 10.431) 15.136 3.929 ( -3.708 -2.141 -7.818) 8.914 7.349 ( 8.904 5.140 0.951) 10.325 9.050 ( 47.293 27.305 -2.086) 54.649 9.839 ( -32.046 -18.502 -1.582) 37.037 10.716 ( -4.777 -2.758 -0.915) 5.591 14.163 ( -11.736 -6.776 2.869) 13.852 14.381 ( 1.208 0.697 -4.112) 4.342 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 7.267 4.196 7.348) 11.154 2.130 ( 14.414 8.322 -4.559) 17.257 2.252 ( 5.698 3.290 7.225) 9.772 2.889 ( 17.238 9.952 -2.978) 20.126 3.284 ( 15.109 8.723 0.229) 17.448 3.991 ( 12.303 7.103 -2.001) 14.346 7.597 ( 12.504 7.219 1.022) 14.474 9.128 ( -27.284 -15.752 7.113) 32.298 9.904 ( 26.204 15.129 -7.378) 31.144 10.595 ( -5.310 -3.066 -1.042) 6.219 13.790 ( -20.781 -11.998 -2.822) 24.161 14.442 ( 4.503 2.600 1.776) 5.494 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 12.561 4.251) 13.260 1.582 ( 0.000 27.951 9.575) 29.546 1.847 ( -0.000 2.230 -3.704) 4.324 1.941 ( 0.000 11.180 -5.874) 12.629 2.854 ( 0.000 2.118 15.704) 15.846 4.108 ( -0.000 -12.354 -9.932) 15.852 7.195 ( 0.000 5.334 0.872) 5.405 7.844 ( 0.000 59.438 -2.152) 59.477 10.540 ( -0.000 -27.539 -1.685) 27.590 10.802 ( -0.000 -3.384 -0.315) 3.398 14.319 ( -0.000 -4.662 4.172) 6.256 14.386 ( -0.000 -0.725 -3.884) 3.951 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 7.336 16.079 4.750) 18.301 1.890 ( 2.951 3.721 -3.678) 6.007 2.024 ( 9.433 13.665 11.178) 20.016 2.145 ( 13.550 25.198 -9.628) 30.187 2.953 ( 3.666 5.975 8.167) 10.763 3.939 ( -3.501 -5.997 -5.548) 8.888 7.304 ( 4.697 8.232 0.495) 9.491 8.730 ( 30.215 51.529 -1.394) 59.751 10.048 ( -19.350 -31.245 -1.870) 36.800 10.743 ( -2.306 -4.289 -0.330) 4.881 14.224 ( -4.967 -10.791 3.905) 12.505 14.371 ( 0.024 1.467 -3.983) 4.244 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 5.405 10.886 9.087) 15.175 2.010 ( 9.891 11.186 -7.427) 16.677 2.217 ( 5.111 5.724 2.446) 8.054 2.703 ( 18.379 19.819 -1.448) 27.068 3.167 ( 9.905 10.928 0.704) 14.765 3.910 ( 4.349 4.678 -1.126) 6.486 7.517 ( 8.570 11.461 0.420) 14.317 9.377 ( -22.713 -26.252 3.331) 34.873 9.636 ( 25.920 28.907 -2.853) 38.930 10.643 ( -4.143 -3.944 -0.469) 5.739 13.938 ( -13.604 -15.766 -1.740) 20.897 14.409 ( 2.791 2.660 1.026) 3.989 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 0.000 18.049 -3.504) 18.386 1.899 ( 0.000 4.273 1.250) 4.452 2.109 ( 0.000 10.685 3.648) 11.290 2.309 ( 0.000 34.202 -2.211) 34.274 3.012 ( 0.000 9.251 3.127) 9.765 3.900 ( -0.000 -3.694 -1.902) 4.155 7.353 ( 0.000 10.416 -0.051) 10.416 9.032 ( 0.000 54.778 1.946) 54.812 9.856 ( -0.000 -36.632 -5.419) 37.031 10.710 ( -0.000 -5.650 0.368) 5.662 14.154 ( -0.000 -15.043 4.719) 15.765 14.380 ( -0.000 2.616 -3.582) 4.435 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.000 -0.000 4.049) 4.049 1.285 ( 0.000 -0.000 4.049) 4.049 1.817 ( -0.000 0.000 -2.382) 2.382 1.817 ( -0.000 0.000 -2.382) 2.382 2.880 ( 0.000 -0.000 10.461) 10.461 4.253 ( -0.000 0.000 -7.454) 7.454 7.144 ( 0.000 -0.000 0.548) 0.548 7.144 ( 0.000 -0.000 0.548) 0.548 10.835 ( -0.000 0.000 -0.310) 0.310 10.835 ( -0.000 0.000 -0.310) 0.310 14.348 ( 0.000 -0.000 0.585) 0.585 14.405 ( -0.000 0.000 -0.479) 0.479 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 10.055 5.805 3.873) 12.239 1.633 ( 26.048 15.039 -0.666) 30.086 1.836 ( 2.103 1.214 -1.592) 2.903 1.912 ( 7.967 4.600 -0.328) 9.206 2.913 ( 1.567 0.905 3.282) 3.748 4.069 ( -10.386 -5.996 -2.214) 12.196 7.198 ( 4.578 2.643 0.171) 5.289 7.837 ( 51.142 29.527 -0.530) 59.056 10.530 ( -24.756 -14.293 0.568) 28.591 10.802 ( -2.840 -1.640 -0.299) 3.293 14.349 ( -0.384 -0.222 2.759) 2.794 14.359 ( -4.022 -2.322 -3.063) 5.563 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/58956 10.0 1664.995 1664.995 3754.998 -0.000 -0.000 0.000 3/58956 20.0 338.390 338.390 282.919 0.000 -0.000 0.000 3/58956 30.0 146.305 146.305 94.853 0.000 -0.000 0.000 3/58956 40.0 102.979 102.979 55.982 0.000 -0.000 0.000 3/58956 50.0 81.956 81.956 40.562 0.000 -0.000 0.000 3/58956 60.0 67.382 67.382 31.970 0.000 -0.000 0.000 3/58956 70.0 56.240 56.240 26.293 0.000 -0.000 0.000 3/58956 80.0 47.560 47.560 22.215 0.000 -0.000 0.000 3/58956 90.0 40.762 40.762 19.149 0.000 -0.000 0.000 3/58956 100.0 35.405 35.405 16.777 0.000 -0.000 0.000 3/58956 110.0 31.144 31.144 14.899 0.000 -0.000 0.000 3/58956 120.0 27.713 27.713 13.386 0.000 -0.000 0.000 3/58956 130.0 24.916 24.916 12.145 0.000 -0.000 0.000 3/58956 140.0 22.607 22.607 11.112 0.000 -0.000 0.000 3/58956 150.0 20.677 20.677 10.241 0.000 -0.000 0.000 3/58956 160.0 19.044 19.044 9.497 0.000 -0.000 0.000 3/58956 170.0 17.648 17.648 8.856 0.000 -0.000 0.000 3/58956 180.0 16.444 16.444 8.297 0.000 -0.000 0.000 3/58956 190.0 15.394 15.394 7.806 0.000 -0.000 0.000 3/58956 200.0 14.472 14.472 7.372 0.000 -0.000 0.000 3/58956 210.0 13.657 13.657 6.984 0.000 -0.000 0.000 3/58956 220.0 12.930 12.930 6.636 0.000 -0.000 0.000 3/58956 230.0 12.278 12.278 6.322 0.000 -0.000 0.000 3/58956 240.0 11.691 11.691 6.037 0.000 -0.000 0.000 3/58956 250.0 11.159 11.159 5.778 0.000 -0.000 0.000 3/58956 260.0 10.674 10.674 5.540 0.000 -0.000 0.000 3/58956 270.0 10.231 10.231 5.322 0.000 -0.000 0.000 3/58956 280.0 9.825 9.825 5.120 0.000 -0.000 0.000 3/58956 290.0 9.450 9.450 4.934 0.000 -0.000 0.000 3/58956 300.0 9.104 9.104 4.761 0.000 -0.000 0.000 3/58956 310.0 8.783 8.783 4.600 0.000 -0.000 0.000 3/58956 320.0 8.484 8.484 4.450 0.000 -0.000 0.000 3/58956 330.0 8.206 8.206 4.309 0.000 -0.000 0.000 3/58956 340.0 7.946 7.946 4.177 0.000 -0.000 0.000 3/58956 350.0 7.702 7.702 4.053 0.000 -0.000 0.000 3/58956 360.0 7.473 7.473 3.937 0.000 -0.000 0.000 3/58956 370.0 7.258 7.258 3.827 0.000 -0.000 0.000 3/58956 380.0 7.055 7.055 3.723 0.000 -0.000 0.000 3/58956 390.0 6.863 6.863 3.625 0.000 -0.000 0.000 3/58956 400.0 6.682 6.682 3.532 0.000 -0.000 0.000 3/58956 410.0 6.510 6.510 3.443 0.000 -0.000 0.000 3/58956 420.0 6.347 6.347 3.359 0.000 -0.000 0.000 3/58956 430.0 6.193 6.193 3.279 0.000 -0.000 0.000 3/58956 440.0 6.045 6.045 3.203 0.000 -0.000 0.000 3/58956 450.0 5.905 5.905 3.131 0.000 -0.000 0.000 3/58956 460.0 5.771 5.771 3.061 0.000 -0.000 0.000 3/58956 470.0 5.644 5.644 2.995 0.000 -0.000 0.000 3/58956 480.0 5.521 5.521 2.931 0.000 -0.000 0.000 3/58956 490.0 5.405 5.405 2.870 0.000 -0.000 0.000 3/58956 500.0 5.293 5.293 2.812 0.000 -0.000 0.000 3/58956 510.0 5.185 5.185 2.756 0.000 -0.000 0.000 3/58956 520.0 5.082 5.082 2.702 0.000 -0.000 0.000 3/58956 530.0 4.984 4.984 2.651 0.000 -0.000 0.000 3/58956 540.0 4.889 4.889 2.601 0.000 -0.000 0.000 3/58956 550.0 4.797 4.797 2.553 0.000 -0.000 0.000 3/58956 560.0 4.709 4.709 2.507 0.000 -0.000 0.000 3/58956 570.0 4.624 4.624 2.462 0.000 -0.000 0.000 3/58956 580.0 4.542 4.542 2.419 0.000 -0.000 0.000 3/58956 590.0 4.464 4.464 2.378 0.000 -0.000 0.000 3/58956 600.0 4.387 4.387 2.338 0.000 -0.000 0.000 3/58956 610.0 4.314 4.314 2.299 0.000 -0.000 0.000 3/58956 620.0 4.243 4.243 2.262 0.000 -0.000 0.000 3/58956 630.0 4.174 4.174 2.225 0.000 -0.000 0.000 3/58956 640.0 4.107 4.107 2.190 0.000 -0.000 0.000 3/58956 650.0 4.043 4.043 2.156 0.000 -0.000 0.000 3/58956 660.0 3.981 3.981 2.123 0.000 -0.000 0.000 3/58956 670.0 3.920 3.920 2.091 0.000 -0.000 0.000 3/58956 680.0 3.861 3.861 2.060 0.000 -0.000 0.000 3/58956 690.0 3.804 3.804 2.030 0.000 -0.000 0.000 3/58956 700.0 3.749 3.749 2.001 0.000 -0.000 0.000 3/58956 710.0 3.695 3.695 1.973 0.000 -0.000 0.000 3/58956 720.0 3.643 3.643 1.945 0.000 -0.000 0.000 3/58956 730.0 3.593 3.593 1.918 0.000 -0.000 0.000 3/58956 740.0 3.543 3.543 1.892 0.000 -0.000 0.000 3/58956 750.0 3.496 3.496 1.867 0.000 -0.000 0.000 3/58956 760.0 3.449 3.449 1.842 0.000 -0.000 0.000 3/58956 770.0 3.403 3.403 1.818 0.000 -0.000 0.000 3/58956 780.0 3.359 3.359 1.795 0.000 -0.000 0.000 3/58956 790.0 3.316 3.316 1.772 0.000 -0.000 0.000 3/58956 800.0 3.274 3.274 1.750 0.000 -0.000 0.000 3/58956 810.0 3.233 3.233 1.728 0.000 -0.000 0.000 3/58956 820.0 3.193 3.193 1.707 0.000 -0.000 0.000 3/58956 830.0 3.155 3.155 1.686 0.000 -0.000 0.000 3/58956 840.0 3.117 3.117 1.666 0.000 -0.000 0.000 3/58956 850.0 3.080 3.080 1.646 0.000 -0.000 0.000 3/58956 860.0 3.043 3.043 1.627 0.000 -0.000 0.000 3/58956 870.0 3.008 3.008 1.608 0.000 -0.000 0.000 3/58956 880.0 2.974 2.974 1.590 0.000 -0.000 0.000 3/58956 890.0 2.940 2.940 1.572 0.000 -0.000 0.000 3/58956 900.0 2.907 2.907 1.554 0.000 -0.000 0.000 3/58956 910.0 2.875 2.875 1.537 0.000 -0.000 0.000 3/58956 920.0 2.843 2.843 1.521 0.000 -0.000 0.000 3/58956 930.0 2.812 2.812 1.504 0.000 -0.000 0.000 3/58956 940.0 2.782 2.782 1.488 0.000 -0.000 0.000 3/58956 950.0 2.753 2.753 1.472 0.000 -0.000 0.000 3/58956 960.0 2.724 2.724 1.457 0.000 -0.000 0.000 3/58956 970.0 2.695 2.695 1.442 0.000 -0.000 0.000 3/58956 980.0 2.668 2.668 1.427 0.000 -0.000 0.000 3/58956 990.0 2.641 2.641 1.413 0.000 -0.000 0.000 3/58956 1000.0 2.614 2.614 1.399 0.000 -0.000 0.000 3/58956 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:11:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|