----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:41:33]------------------------- 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 1.998488060381105 1.153827619633282 7.287197613333325 b -1.998488060381101 1.153827619633282 7.287197613333325 c 0.000000000000002 -2.307655239266567 7.287197613333325 Atomic positions (fractional): *1 S 0.73387472897152 0.73387472897152 0.73387472897152 32.065 2 S 0.26612527102848 0.26612527102848 0.26612527102848 32.065 *3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *4 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.996976120762207 0.000000000000000 0.000000000000000 b -1.998488060381103 3.461482858899849 0.000000000000000 c 0.000000000000000 0.000000000000000 21.861592840000000 Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.06720806230486 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.26612527102848 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.40054139563819 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.59945860436181 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.73387472897152 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.93279193769514 32.065 > 2 *7 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 3 8 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 9 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 3 *10 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 4 11 Dy 0.66666666666667 0.33333333333333 0.33333333333333 162.500 > 4 12 Dy 0.33333333333333 0.66666666666667 0.66666666666667 162.500 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.990928362286621 0.000000000000000 0.000000000000000 b -5.995464181143309 10.384448576699548 0.000000000000000 c 0.000000000000000 0.000000000000000 21.861592840000000 Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.06720806230486 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06720806230486 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06720806230486 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06720806230486 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06720806230486 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06720806230486 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06720806230486 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06720806230486 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06720806230486 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26612527102848 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.26612527102848 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.26612527102848 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.26612527102848 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.26612527102848 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.26612527102848 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.26612527102848 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.26612527102848 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.26612527102848 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.40054139563819 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.40054139563819 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.40054139563819 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.40054139563819 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.40054139563819 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.40054139563819 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.40054139563819 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.40054139563819 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.40054139563819 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.59945860436181 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.59945860436181 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.59945860436181 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.59945860436181 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.59945860436181 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.59945860436181 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.59945860436181 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.59945860436181 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.59945860436181 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.73387472897152 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73387472897152 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73387472897152 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73387472897152 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73387472897152 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73387472897152 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73387472897152 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73387472897152 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73387472897152 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93279193769514 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.93279193769514 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.93279193769514 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.93279193769514 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.93279193769514 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.93279193769514 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.93279193769514 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.93279193769514 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.93279193769514 32.065 > 2 *55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 3 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 3 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 3 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 3 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 3 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 3 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 3 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 3 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 3 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 3 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 3 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 3 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 3 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 3 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 3 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 3 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 3 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 3 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 3 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 3 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 3 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 3 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 3 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 3 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 3 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 3 *82 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 4 83 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 4 84 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 4 85 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 4 86 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 4 87 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 4 88 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 4 89 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 4 90 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 4 91 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 4 92 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 4 93 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 4 94 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 4 95 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 4 96 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 4 97 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 4 98 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 4 99 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 4 100 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 4 101 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 4 102 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 4 103 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 4 104 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 4 105 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 4 106 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 4 107 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 4 108 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6717485 0.0000000 0.0000000 -0.0000000 5.6717485 0.0000000 0.0000000 0.0000000 4.1460411 -------------------------- Born effective charges -------------------------- 1 S -2.7400242 -0.0000000 0.0000000 0.0000000 -2.7400242 0.0000000 0.0000000 0.0000000 -1.7992990 2 S -2.7400242 -0.0000000 0.0000000 0.0000000 -2.7400242 0.0000000 0.0000000 0.0000000 -1.7992990 3 K 1.0332291 -0.0000000 0.0000000 0.0000000 1.0332291 0.0000000 0.0000000 0.0000000 1.7719796 4 Dy 4.4468192 0.0000000 0.0000000 0.0000000 4.4468192 0.0000000 0.0000000 0.0000000 1.8266183 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.121 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.127 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:41:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:41:38]------------------------- 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 1.998488060381105 1.153827619633282 7.287197613333325 b -1.998488060381101 1.153827619633282 7.287197613333325 c 0.000000000000002 -2.307655239266567 7.287197613333325 Atomic positions (fractional): 1 S 0.73387472897152 0.73387472897152 0.73387472897152 32.065 2 S 0.26612527102848 0.26612527102848 0.26612527102848 32.065 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.990928362286621 0.000000000000000 0.000000000000000 b -5.995464181143309 10.384448576699548 0.000000000000000 c 0.000000000000000 0.000000000000000 21.861592840000000 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.06720806230486 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06720806230486 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06720806230486 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06720806230486 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06720806230486 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06720806230486 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06720806230486 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06720806230486 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06720806230486 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26612527102848 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.26612527102848 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.26612527102848 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.26612527102848 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.26612527102848 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.26612527102848 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.26612527102848 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.26612527102848 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.26612527102848 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.40054139563819 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.40054139563819 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.40054139563819 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.40054139563819 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.40054139563819 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.40054139563819 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.40054139563819 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.40054139563819 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.40054139563819 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.59945860436181 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.59945860436181 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.59945860436181 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.59945860436181 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.59945860436181 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.59945860436181 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.59945860436181 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.59945860436181 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.59945860436181 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.73387472897152 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73387472897152 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73387472897152 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73387472897152 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73387472897152 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73387472897152 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73387472897152 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73387472897152 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73387472897152 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93279193769514 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.93279193769514 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.93279193769514 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.93279193769514 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.93279193769514 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.93279193769514 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.93279193769514 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.93279193769514 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.93279193769514 32.065 > 10 55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 82 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 82 83 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 82 84 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 82 85 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 82 86 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 82 87 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 82 88 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 82 89 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 82 90 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 82 91 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 82 92 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 82 93 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 82 94 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 82 95 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 82 96 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 82 97 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 82 98 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 82 99 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 82 100 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 82 101 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 82 102 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 82 103 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 82 104 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 82 105 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 82 106 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 82 107 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 82 108 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6717485 0.0000000 0.0000000 -0.0000000 5.6717485 0.0000000 0.0000000 0.0000000 4.1460411 -------------------------- Born effective charges -------------------------- 1 S -2.7400242 -0.0000000 0.0000000 0.0000000 -2.7400242 0.0000000 0.0000000 0.0000000 -1.7992990 2 S -2.7400242 -0.0000000 0.0000000 0.0000000 -2.7400242 0.0000000 0.0000000 0.0000000 -1.7992990 3 K 1.0332291 -0.0000000 0.0000000 0.0000000 1.0332291 0.0000000 0.0000000 0.0000000 1.7719796 4 Dy 4.4468192 0.0000000 0.0000000 0.0000000 4.4468192 0.0000000 0.0000000 0.0000000 1.8266183 ---------------------------------------------------------------------------- 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 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:41:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:41:42]------------------------- 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 1.998488060381105 1.153827619633282 7.287197613333325 b -1.998488060381101 1.153827619633282 7.287197613333325 c 0.000000000000002 -2.307655239266567 7.287197613333325 Atomic positions (fractional): 1 S 0.73387472897152 0.73387472897152 0.73387472897152 32.065 2 S 0.26612527102848 0.26612527102848 0.26612527102848 32.065 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.990928362286621 0.000000000000000 0.000000000000000 b -5.995464181143309 10.384448576699548 0.000000000000000 c 0.000000000000000 0.000000000000000 21.861592840000000 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.06720806230486 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06720806230486 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06720806230486 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06720806230486 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06720806230486 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06720806230486 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06720806230486 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06720806230486 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06720806230486 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26612527102848 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.26612527102848 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.26612527102848 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.26612527102848 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.26612527102848 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.26612527102848 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.26612527102848 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.26612527102848 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.26612527102848 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.40054139563819 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.40054139563819 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.40054139563819 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.40054139563819 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.40054139563819 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.40054139563819 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.40054139563819 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.40054139563819 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.40054139563819 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.59945860436181 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.59945860436181 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.59945860436181 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.59945860436181 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.59945860436181 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.59945860436181 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.59945860436181 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.59945860436181 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.59945860436181 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.73387472897152 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73387472897152 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73387472897152 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73387472897152 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73387472897152 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73387472897152 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73387472897152 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73387472897152 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73387472897152 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93279193769514 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.93279193769514 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.93279193769514 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.93279193769514 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.93279193769514 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.93279193769514 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.93279193769514 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.93279193769514 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.93279193769514 32.065 > 10 55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 82 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 82 83 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 82 84 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 82 85 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 82 86 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 82 87 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 82 88 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 82 89 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 82 90 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 82 91 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 82 92 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 82 93 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 82 94 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 82 95 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 82 96 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 82 97 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 82 98 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 82 99 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 82 100 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 82 101 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 82 102 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 82 103 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 82 104 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 82 105 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 82 106 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 82 107 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 82 108 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6717485 0.0000000 0.0000000 -0.0000000 5.6717485 0.0000000 0.0000000 0.0000000 4.1460411 -------------------------- Born effective charges -------------------------- 1 S -2.7400242 -0.0000000 0.0000000 0.0000000 -2.7400242 0.0000000 0.0000000 0.0000000 -1.7992990 2 S -2.7400242 -0.0000000 0.0000000 0.0000000 -2.7400242 0.0000000 0.0000000 0.0000000 -1.7992990 3 K 1.0332291 -0.0000000 0.0000000 0.0000000 1.0332291 0.0000000 0.0000000 0.0000000 1.7719796 4 Dy 4.4468192 0.0000000 0.0000000 0.0000000 4.4468192 0.0000000 0.0000000 0.0000000 1.8266183 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.89, Number of G-points: 313, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 6.475 ( 0.000 0.000 0.000) 0.000 6.475 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 8.153 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 20.654 11.924 -3.862) 24.159 0.475 ( 21.758 12.562 -2.926) 25.294 0.929 ( 39.356 22.722 12.030) 47.010 2.971 ( 0.536 0.310 0.252) 0.669 3.036 ( 5.180 2.991 -1.508) 6.169 4.840 ( -3.181 -1.836 0.629) 3.726 5.372 ( 2.257 1.303 1.073) 2.819 6.458 ( -1.365 -0.788 -0.503) 1.654 6.462 ( -1.455 -0.840 0.549) 1.767 7.088 ( 2.755 1.591 -15.161) 15.491 8.095 ( -5.178 -2.990 1.308) 6.121 8.719 ( -1.302 -0.752 -0.804) 1.705 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 20.645 11.919 -3.840) 24.146 0.947 ( 21.479 12.401 -4.396) 25.188 1.803 ( 35.888 20.720 8.118) 42.227 2.989 ( 0.969 0.560 0.509) 1.230 3.190 ( 8.968 5.177 -1.599) 10.478 4.741 ( -5.653 -3.264 0.490) 6.546 5.450 ( 4.278 2.470 2.000) 5.329 6.406 ( -3.814 -2.202 0.896) 4.494 6.417 ( -1.927 -1.112 -1.029) 2.451 7.121 ( 3.225 1.862 -6.529) 7.517 7.947 ( -8.279 -4.780 2.363) 9.848 8.658 ( -3.675 -2.122 -4.004) 5.834 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 19.803 11.433 -3.843) 23.188 1.394 ( 19.950 11.518 -6.195) 23.854 2.541 ( 28.420 16.408 0.629) 32.823 3.016 ( 1.219 0.704 0.792) 1.615 3.424 ( 12.202 7.045 1.470) 14.166 4.601 ( -7.158 -4.133 2.748) 8.710 5.569 ( 5.590 3.227 2.692) 6.994 6.308 ( -4.758 -2.747 0.901) 5.567 6.376 ( -1.192 -0.688 -1.572) 2.089 7.181 ( 2.771 1.600 -1.655) 3.602 7.752 ( -9.804 -5.660 2.648) 11.626 8.534 ( -5.526 -3.190 -7.401) 9.772 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 17.577 10.148 -3.812) 20.651 1.782 ( 16.507 9.531 -7.594) 20.518 3.046 ( 1.218 0.703 1.103) 1.787 3.046 ( 18.210 10.513 -6.801) 22.099 3.740 ( 14.622 8.442 5.120) 17.644 4.451 ( -7.468 -4.312 6.779) 10.969 5.705 ( 5.546 3.202 3.032) 7.085 6.224 ( -2.534 -1.463 0.799) 3.033 6.364 ( 0.769 0.444 -1.992) 2.181 7.208 ( -0.740 -0.427 0.738) 1.129 7.529 ( -10.815 -6.244 1.565) 12.586 8.393 ( -4.185 -2.416 -8.661) 9.918 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 11.295 6.521 -7.537) 15.064 2.082 ( 13.884 8.016 -3.541) 16.418 3.074 ( 0.936 0.540 1.340) 1.721 3.361 ( 13.192 7.616 -7.132) 16.819 4.045 ( 10.438 6.026 2.410) 12.291 4.318 ( -6.779 -3.914 10.854) 13.382 5.822 ( 4.073 2.351 2.738) 5.442 6.216 ( 1.757 1.015 0.413) 2.071 6.400 ( 2.889 1.668 -1.929) 3.853 7.140 ( -5.912 -3.413 2.245) 7.186 7.283 ( -10.634 -6.140 -2.678) 12.568 8.320 ( -0.287 -0.166 -5.841) 5.851 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 5.802 3.350 -5.319) 8.555 2.329 ( 8.969 5.178 -2.701) 10.703 3.094 ( 0.479 0.276 1.242) 1.359 3.622 ( 12.296 7.099 -5.919) 15.383 4.170 ( -2.966 -1.712 10.431) 10.979 4.241 ( 0.261 0.151 0.915) 0.963 5.899 ( 2.243 1.295 1.782) 3.144 6.297 ( 5.180 2.991 -0.591) 6.011 6.468 ( 3.268 1.887 -1.279) 3.984 6.943 ( -11.592 -6.693 3.153) 13.751 7.097 ( -4.818 -2.782 -5.261) 7.657 8.330 ( 1.672 0.965 -2.243) 2.959 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 1.639 0.946 -1.838) 2.638 2.459 ( 3.127 1.805 -1.051) 3.760 3.103 ( 0.112 0.065 0.537) 0.553 3.866 ( 11.322 6.537 -8.327) 15.500 4.061 ( -8.831 -5.099 13.922) 17.257 4.259 ( 0.703 0.406 -3.413) 3.508 5.935 ( 0.708 0.409 0.597) 1.012 6.419 ( 5.105 2.947 -1.253) 6.026 6.521 ( 1.395 0.805 -0.427) 1.666 6.720 ( -7.637 -4.409 1.678) 8.976 7.014 ( -1.638 -0.946 -1.984) 2.741 8.358 ( 0.889 0.513 -0.447) 1.120 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.000 22.965 13.719) 26.751 0.550 ( 0.000 25.242 10.192) 27.222 0.892 ( 0.000 44.030 5.690) 44.396 2.963 ( -0.000 0.328 -1.445) 1.481 3.041 ( -0.000 6.375 -0.433) 6.390 4.836 ( -0.000 -4.480 -0.108) 4.482 5.357 ( -0.000 1.982 -2.112) 2.896 6.458 ( -0.000 -1.913 -0.144) 1.918 6.466 ( 0.000 -1.236 1.218) 1.735 7.017 ( -0.000 9.020 -28.395) 29.793 8.100 ( 0.000 -6.058 2.251) 6.463 8.730 ( 0.000 -1.113 1.301) 1.712 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 5.000 20.644 10.084) 23.513 0.949 ( 8.737 26.079 0.152) 27.504 1.569 ( 24.735 34.087 8.271) 42.920 2.980 ( 1.655 0.965 -1.049) 2.185 3.138 ( 3.609 8.106 -1.243) 8.960 4.763 ( -2.408 -5.835 -1.246) 6.434 5.411 ( 3.798 2.825 -0.939) 4.826 6.421 ( -1.360 -3.175 -0.516) 3.492 6.441 ( -1.880 -1.568 1.373) 2.807 7.054 ( 3.598 4.473 -15.011) 16.071 8.001 ( -4.328 -7.853 3.100) 9.487 8.690 ( -3.273 -1.750 -1.196) 3.900 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 14.119 16.682 3.598) 22.149 1.338 ( 9.998 22.670 -3.031) 24.962 2.300 ( 24.489 25.775 2.667) 35.653 3.023 ( 1.208 2.949 0.056) 3.187 3.316 ( 8.896 8.228 0.126) 12.118 4.644 ( -3.934 -6.864 0.206) 7.914 5.522 ( 5.314 4.128 0.700) 6.765 6.345 ( -3.128 -4.262 -0.174) 5.289 6.397 ( -2.112 -0.444 0.378) 2.191 7.124 ( 4.432 2.475 -7.069) 8.702 7.836 ( -7.018 -8.453 3.563) 11.550 8.579 ( -5.935 -3.086 -4.886) 8.284 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 16.179 14.187 -0.715) 21.530 1.692 ( 10.256 17.585 -4.445) 20.837 2.855 ( 17.643 16.850 -5.846) 25.088 3.071 ( -0.138 4.586 0.471) 4.612 3.602 ( 13.870 9.490 4.847) 17.491 4.511 ( -4.431 -7.170 3.736) 9.219 5.664 ( 5.536 5.168 1.980) 7.828 6.253 ( -2.939 -3.157 0.064) 4.314 6.372 ( -1.113 1.328 -0.746) 1.887 7.187 ( 2.708 0.068 -2.749) 3.859 7.632 ( -8.828 -8.488 3.414) 12.714 8.420 ( -6.040 -3.555 -7.735) 10.438 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 13.730 10.856 -4.583) 18.093 1.991 ( 9.613 13.543 -3.585) 16.991 3.106 ( -1.099 4.556 0.536) 4.717 3.210 ( 12.829 11.234 -7.738) 18.726 3.936 ( 12.045 8.365 4.238) 15.265 4.389 ( -4.185 -6.711 8.064) 11.295 5.807 ( 4.107 5.616 2.767) 7.488 6.207 ( -0.031 -0.561 -0.132) 0.577 6.386 ( 0.692 3.039 -1.474) 3.447 7.179 ( -1.622 -2.269 -1.684) 3.258 7.395 ( -10.932 -8.415 1.728) 13.903 8.297 ( -1.669 -2.542 -6.860) 7.504 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 8.140 5.547 -5.884) 11.474 2.263 ( 8.208 12.439 -2.300) 15.080 3.125 ( -1.525 3.464 0.866) 3.883 3.488 ( 11.259 9.721 -6.097) 16.076 4.148 ( 5.450 3.176 1.366) 6.454 4.293 ( -3.918 -5.163 10.037) 11.948 5.918 ( 1.431 5.930 2.641) 6.648 6.242 ( 3.621 1.591 -0.868) 4.049 6.440 ( 2.242 3.473 -1.448) 4.380 7.086 ( -8.284 -3.582 2.838) 9.461 7.132 ( -8.050 -6.626 -5.109) 11.611 8.276 ( 2.780 -1.754 -3.296) 4.655 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 4.092 2.452 -3.551) 5.947 2.463 ( 3.057 10.225 -1.868) 10.835 3.129 ( -1.584 2.318 0.931) 2.958 3.735 ( 9.937 8.537 -7.350) 15.022 4.180 ( -5.523 -5.385 14.064) 16.040 4.232 ( 1.237 0.146 -3.336) 3.561 5.983 ( -1.420 6.205 1.671) 6.581 6.337 ( 5.774 1.659 -1.713) 6.247 6.506 ( 2.252 2.709 -0.647) 3.582 6.842 ( -11.375 -5.068 0.926) 12.487 7.030 ( -2.136 -1.183 -2.469) 3.473 8.309 ( 3.534 -2.215 -1.028) 4.296 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.779 0.295 -0.655) 1.060 2.541 ( -3.399 6.980 -0.132) 7.765 3.125 ( -1.426 1.890 0.169) 2.373 3.926 ( 7.976 5.490 -10.921) 14.596 4.015 ( -10.166 -5.284 3.510) 11.983 4.265 ( 1.431 -0.713 6.962) 7.144 6.000 ( -3.685 5.621 0.381) 6.732 6.416 ( 2.234 -2.222 0.009) 3.151 6.553 ( -0.799 1.463 -0.183) 1.677 6.686 ( -1.383 1.370 -0.850) 2.124 7.010 ( 0.304 0.803 0.918) 1.257 8.329 ( 2.121 -3.291 -0.186) 3.919 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -2.509 -2.012 2.381) 4.002 2.481 ( -9.760 2.688 1.957) 10.311 3.121 ( -1.490 2.466 -0.838) 3.000 3.781 ( -11.883 -5.670 1.899) 13.303 4.052 ( 7.093 2.761 -12.629) 14.745 4.281 ( -2.190 -0.718 6.714) 7.098 5.971 ( -5.204 3.850 -0.930) 6.540 6.351 ( -4.622 -4.022 1.218) 6.247 6.510 ( -2.868 -0.508 0.287) 2.927 6.827 ( 9.415 7.524 -2.326) 12.274 7.060 ( 3.414 1.497 3.838) 5.350 8.318 ( 0.888 -3.911 0.917) 4.114 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -7.373 -4.592 5.323) 10.188 2.286 ( -14.702 -1.466 2.800) 15.038 3.115 ( -2.306 3.387 -1.215) 4.274 3.534 ( -12.292 -5.344 3.666) 13.896 4.131 ( -0.636 -1.039 -3.226) 3.449 4.213 ( -0.587 -0.371 -5.920) 5.961 5.896 ( -6.212 1.421 -2.044) 6.692 6.247 ( -3.742 -2.070 0.213) 4.282 6.453 ( -3.747 -0.238 1.282) 3.968 7.053 ( 8.657 6.401 -4.018) 11.492 7.180 ( 7.870 2.301 5.078) 9.645 8.308 ( 1.663 -2.842 3.552) 4.843 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -17.319 -7.958 5.544) 19.849 2.027 ( -14.688 -2.506 3.927) 15.409 3.097 ( -3.454 3.558 -1.366) 5.143 3.277 ( -15.168 -5.554 6.486) 17.406 3.903 ( -15.370 -6.500 -2.870) 16.933 4.313 ( 9.249 1.857 -8.153) 12.468 5.782 ( -7.009 -0.537 -2.589) 7.491 6.205 ( 0.144 0.167 -0.344) 0.409 6.400 ( -2.873 0.497 1.648) 3.349 7.176 ( 3.295 1.560 -2.415) 4.373 7.391 ( 11.258 3.852 0.791) 11.925 8.359 ( 4.524 -0.006 6.448) 7.877 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -20.831 -9.586 4.016) 23.280 1.734 ( -19.809 -1.507 4.675) 20.409 2.897 ( -26.105 -7.541 3.198) 27.360 3.063 ( -3.890 2.536 -0.975) 4.745 3.569 ( -14.051 -6.376 -2.605) 15.648 4.474 ( 9.832 1.741 -4.129) 10.805 5.644 ( -7.176 -1.400 -2.363) 7.683 6.250 ( 4.001 1.457 -0.480) 4.285 6.382 ( -0.657 0.830 1.373) 1.734 7.194 ( -0.354 -0.855 -1.196) 1.513 7.612 ( 11.122 3.132 -1.062) 11.603 8.485 ( 6.302 1.913 6.226) 9.063 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -22.080 -8.243 2.467) 23.697 1.371 ( -24.465 0.440 3.785) 24.760 2.276 ( -37.950 -8.051 -2.210) 38.857 3.020 ( -2.891 0.918 -0.689) 3.111 3.318 ( -10.537 -3.219 0.421) 11.025 4.638 ( 8.735 1.112 -1.192) 8.886 5.512 ( -6.158 -1.143 -1.472) 6.434 6.344 ( 5.196 1.234 -0.403) 5.356 6.399 ( 1.291 0.509 0.754) 1.580 7.160 ( -1.991 -0.941 0.687) 2.307 7.814 ( 10.509 1.955 -1.029) 10.739 8.616 ( 5.179 1.475 3.226) 6.277 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -22.019 -0.000 0.000) 22.019 0.951 ( -27.229 -0.000 0.000) 27.229 1.529 ( -44.043 -0.000 0.000) 44.043 2.985 ( -1.544 -0.000 0.000) 1.544 3.144 ( -8.690 -0.000 0.000) 8.690 4.768 ( 6.234 0.000 -0.000) 6.234 5.416 ( -4.280 -0.000 0.000) 4.280 6.426 ( 3.590 0.000 -0.000) 3.590 6.432 ( 2.037 0.000 -0.000) 2.037 7.127 ( -1.549 -0.000 0.000) 1.549 7.986 ( 8.842 0.000 -0.000) 8.842 8.695 ( 2.781 0.000 -0.000) 2.781 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 22.250 11.331) 24.969 1.092 ( 0.000 24.849 8.624) 26.303 1.754 ( 0.000 41.871 4.543) 42.117 2.960 ( -0.000 0.685 -2.532) 2.623 3.202 ( -0.000 10.193 -0.707) 10.218 4.710 ( -0.000 -7.618 -2.612) 8.053 5.399 ( -0.000 4.210 -3.178) 5.275 6.393 ( -0.000 -4.667 -0.485) 4.692 6.446 ( 0.000 -1.733 1.892) 2.566 7.026 ( -0.000 5.593 -15.096) 16.099 7.960 ( 0.000 -9.886 3.374) 10.446 8.701 ( 0.000 -2.456 0.139) 2.460 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.788 23.202 11.085) 25.726 1.426 ( 5.989 22.266 2.158) 23.158 2.277 ( 13.068 34.776 2.170) 37.214 2.999 ( 4.029 1.912 -1.504) 4.706 3.316 ( 2.212 10.778 -0.558) 11.017 4.609 ( -1.472 -8.899 -1.835) 9.204 5.477 ( 4.515 5.157 -2.082) 7.163 6.332 ( -1.215 -5.250 -0.621) 5.424 6.425 ( -1.253 -1.027 1.709) 2.355 7.059 ( 2.989 3.580 -10.443) 11.437 7.841 ( -3.380 -10.549 3.500) 11.617 8.633 ( -4.639 -3.265 -1.639) 5.905 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 5.294 21.736 7.347) 23.547 1.721 ( 6.201 18.031 -1.717) 19.145 2.771 ( 12.257 22.423 -5.689) 26.180 3.104 ( 3.304 5.423 0.074) 6.351 3.516 ( 9.223 12.002 3.190) 15.469 4.489 ( -1.912 -9.399 1.039) 9.647 5.623 ( 6.304 6.243 -0.028) 8.873 6.255 ( -1.868 -4.310 -0.766) 4.759 6.407 ( -1.072 1.071 0.888) 1.756 7.115 ( 3.887 0.471 -6.287) 7.406 7.674 ( -5.709 -10.282 3.581) 12.293 8.483 ( -7.553 -3.812 -4.431) 9.551 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 7.010 16.470 1.204) 17.940 1.987 ( 7.473 15.917 -1.306) 17.633 3.104 ( 10.966 13.377 -7.594) 18.891 3.181 ( -0.591 6.342 -0.913) 6.435 3.841 ( 11.853 11.945 4.185) 17.340 4.379 ( -1.549 -8.915 4.920) 10.299 5.794 ( 5.785 7.069 1.975) 9.345 6.198 ( -0.578 -1.852 -1.230) 2.297 6.419 ( -0.377 3.656 -0.235) 3.683 7.141 ( 1.937 -2.668 -4.609) 5.667 7.478 ( -7.873 -9.402 3.581) 12.775 8.310 ( -5.984 -3.570 -5.621) 8.953 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 6.064 8.763 -3.319) 11.161 2.275 ( 7.265 17.174 0.221) 18.649 3.203 ( -2.267 5.204 -0.970) 5.758 3.388 ( 10.981 10.859 -4.337) 16.041 4.092 ( 6.188 5.538 0.504) 8.319 4.303 ( -0.909 -6.461 7.661) 10.063 5.952 ( 3.667 7.268 3.214) 8.752 6.202 ( 2.172 0.881 -2.018) 3.093 6.460 ( 0.199 5.108 -1.049) 5.218 7.099 ( -0.917 -4.010 -5.126) 6.572 7.249 ( -10.849 -7.538 2.943) 13.535 8.210 ( -0.071 -3.271 -3.582) 4.851 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 4.450 4.799 -3.092) 7.239 2.531 ( 3.768 15.980 -0.522) 16.426 3.202 ( -2.964 3.958 0.294) 4.954 3.650 ( 9.385 9.742 -3.809) 14.053 4.174 ( 2.888 -2.647 5.410) 6.680 4.250 ( -3.247 -2.811 1.505) 4.551 6.072 ( 0.872 7.619 2.789) 8.160 6.265 ( 4.074 2.090 -2.328) 5.136 6.508 ( 0.592 3.847 -1.010) 4.021 6.976 ( -9.140 -5.659 -3.161) 11.205 7.056 ( -4.013 -1.082 0.712) 4.217 8.207 ( 3.913 -4.015 -1.188) 5.731 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 1.963 2.187 -1.719) 3.405 2.690 ( -2.073 13.540 -0.302) 13.701 3.186 ( -2.879 3.017 0.751) 4.237 3.843 ( 5.824 6.747 -7.002) 11.335 4.116 ( -7.748 -4.990 -1.940) 9.418 4.233 ( 4.263 -1.764 9.425) 10.493 6.136 ( -3.081 7.725 1.142) 8.395 6.346 ( 3.992 0.635 -1.220) 4.223 6.549 ( 1.741 0.911 -0.270) 1.983 6.779 ( -8.181 0.032 -1.110) 8.256 7.026 ( -0.755 1.141 0.291) 1.399 8.231 ( 4.143 -5.326 -0.378) 6.758 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -0.827 -0.152 -0.031) 0.842 2.706 ( -9.435 8.862 1.374) 13.017 3.179 ( -1.889 3.799 -0.015) 4.243 3.900 ( -9.607 -5.733 -5.992) 12.691 3.946 ( 4.507 2.464 -6.765) 8.494 4.317 ( 1.486 0.379 10.159) 10.274 6.119 ( -6.487 5.421 -0.505) 8.469 6.368 ( -0.853 -2.628 0.972) 2.929 6.553 ( -1.540 0.040 0.206) 1.554 6.773 ( 3.779 7.346 -1.618) 8.418 7.045 ( 1.048 1.460 2.117) 2.777 8.235 ( 3.153 -6.173 -0.007) 6.932 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -3.969 -2.234 1.806) 4.900 2.558 ( -15.489 3.223 2.402) 16.002 3.194 ( -1.973 5.660 -0.425) 6.009 3.665 ( -9.616 -6.181 -2.835) 11.777 4.028 ( 6.044 1.168 -6.789) 9.164 4.310 ( -6.077 -0.134 5.334) 8.087 6.031 ( -7.774 2.188 -1.415) 8.199 6.296 ( -4.096 -2.162 0.853) 4.710 6.527 ( -3.465 2.147 0.936) 4.182 6.959 ( 8.883 7.465 -3.230) 12.044 7.105 ( 4.141 0.383 4.069) 5.818 8.231 ( 3.458 -5.259 1.327) 6.432 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -9.393 -3.669 3.376) 10.634 2.289 ( -18.221 -0.018 1.652) 18.295 3.206 ( -3.790 6.249 -0.621) 7.335 3.447 ( -9.632 -5.562 1.365) 11.206 4.103 ( -7.702 -1.224 1.709) 7.984 4.165 ( 1.023 -0.450 -6.499) 6.594 5.905 ( -8.099 0.474 -1.608) 8.270 6.224 ( -2.604 -0.650 0.230) 2.694 6.480 ( -4.650 1.956 1.063) 5.155 7.123 ( 4.547 3.112 -3.309) 6.427 7.240 ( 10.165 1.267 2.791) 10.617 8.276 ( 5.731 -2.293 3.165) 6.937 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -20.509 -3.487 2.404) 20.941 2.017 ( -14.964 -0.451 1.260) 15.024 3.170 ( -6.882 4.278 -2.283) 8.419 3.222 ( -14.021 -3.775 4.551) 15.217 3.787 ( -19.261 -3.278 -1.367) 19.586 4.299 ( 10.468 0.468 -3.070) 10.919 5.763 ( -8.394 -0.176 -1.123) 8.471 6.211 ( 1.316 0.267 -0.052) 1.344 6.427 ( -3.355 0.942 0.679) 3.550 7.176 ( 1.470 0.044 -1.226) 1.915 7.442 ( 11.406 1.242 0.094) 11.474 8.391 ( 7.627 0.128 2.879) 8.154 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -23.373 -0.000 0.000) 23.373 1.740 ( -18.965 -0.000 0.000) 18.965 2.827 ( -30.392 -0.000 0.000) 30.392 3.094 ( -5.292 -0.000 0.000) 5.292 3.492 ( -13.067 -0.000 0.000) 13.067 4.476 ( 10.598 0.000 -0.000) 10.598 5.623 ( -7.828 -0.000 0.000) 7.828 6.264 ( 4.516 0.000 -0.000) 4.516 6.397 ( -0.819 -0.000 0.000) 0.819 7.179 ( -0.642 -0.000 0.000) 0.642 7.638 ( 11.307 0.000 -0.000) 11.307 8.525 ( 7.132 0.000 -0.000) 7.132 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 20.323 7.637) 21.711 1.597 ( 0.000 22.363 6.162) 23.197 2.534 ( 0.000 36.065 1.301) 36.089 2.960 ( -0.000 1.131 -2.838) 3.055 3.412 ( 0.000 12.174 -0.317) 12.178 4.521 ( -0.000 -10.228 -1.926) 10.408 5.485 ( -0.000 6.547 -2.611) 7.049 6.288 ( -0.000 -5.328 -0.321) 5.338 6.427 ( 0.000 -1.225 1.662) 2.064 7.036 ( -0.000 2.942 -9.851) 10.281 7.772 ( 0.000 -11.359 3.080) 11.769 8.637 ( -0.000 -3.939 -0.885) 4.037 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 1.438 21.044 7.755) 22.473 1.821 ( 1.209 17.402 1.383) 17.499 2.852 ( 2.141 21.868 -5.295) 22.602 3.056 ( 7.962 6.681 -1.030) 10.445 3.560 ( 2.795 15.206 2.340) 15.637 4.411 ( -0.468 -10.641 0.296) 10.655 5.589 ( 4.789 7.448 -1.147) 8.929 6.233 ( -0.815 -4.113 -0.310) 4.204 6.423 ( 0.068 -0.014 1.118) 1.120 7.046 ( 2.111 0.369 -7.642) 7.937 7.649 ( -2.620 -11.062 2.751) 11.696 8.547 ( -5.241 -4.248 -2.108) 7.068 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -0.205 14.637 1.339) 14.700 2.034 ( 6.479 18.324 3.321) 19.717 3.053 ( 7.233 10.932 -5.544) 14.232 3.221 ( 2.738 7.042 -4.281) 8.684 3.826 ( 7.443 17.098 3.729) 19.016 4.312 ( -0.076 -9.684 3.673) 10.358 5.765 ( 6.753 8.087 1.111) 10.595 6.187 ( -0.790 -1.793 -1.038) 2.218 6.445 ( 1.015 2.278 0.229) 2.505 7.055 ( 2.568 -2.975 -5.985) 7.160 7.496 ( -4.484 -9.952 2.803) 11.270 8.383 ( -7.965 -3.897 -3.411) 9.500 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 2.050 8.983 -1.786) 9.386 2.343 ( 6.695 19.231 3.670) 20.691 3.268 ( 2.297 6.657 -4.553) 8.386 3.297 ( 8.048 7.109 -1.581) 10.854 4.063 ( 4.136 6.509 -0.561) 7.733 4.266 ( 1.181 -3.257 6.197) 7.100 5.955 ( 5.566 7.680 3.315) 10.047 6.177 ( 0.924 1.035 -2.442) 2.808 6.498 ( 1.237 4.544 -0.859) 4.787 7.031 ( 1.467 -5.143 -5.589) 7.736 7.327 ( -6.393 -8.019 2.862) 10.647 8.217 ( -5.747 -3.295 -2.952) 7.253 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 2.975 6.102 -1.714) 7.001 2.631 ( 4.709 18.171 2.257) 18.907 3.288 ( -2.222 4.487 -1.797) 5.320 3.560 ( 11.650 7.802 0.287) 14.024 4.102 ( 2.522 -5.299 2.925) 6.557 4.286 ( -2.234 2.232 -0.574) 3.210 6.105 ( 3.349 5.844 3.383) 7.537 6.227 ( 3.117 3.535 -2.543) 5.355 6.548 ( -0.497 4.063 -1.590) 4.391 6.982 ( -0.017 -3.602 -5.216) 6.339 7.153 ( -7.601 -4.367 2.423) 9.095 8.127 ( -0.287 -3.876 -1.034) 4.022 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 1.989 3.752 -1.156) 4.401 2.851 ( 0.670 16.391 1.158) 16.446 3.276 ( -3.500 3.422 0.237) 4.900 3.796 ( 7.057 6.694 -1.391) 9.826 4.132 ( 6.348 -5.463 8.795) 12.144 4.193 ( -7.359 -1.600 -6.930) 10.234 6.208 ( 2.224 4.807 0.245) 5.303 6.312 ( 2.529 3.640 0.199) 4.437 6.540 ( -1.376 -0.672 -1.305) 2.013 6.915 ( -5.883 2.175 -2.634) 6.803 7.054 ( -1.741 0.140 0.900) 1.965 8.109 ( 3.145 -5.629 -0.029) 6.448 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -0.140 1.528 -0.564) 1.635 2.953 ( -6.655 12.423 1.285) 14.151 3.253 ( -2.509 3.481 0.883) 4.381 3.901 ( 2.335 2.579 -3.172) 4.707 3.979 ( -9.876 -5.566 -8.036) 13.896 4.273 ( 7.935 -0.345 9.222) 12.171 6.251 ( -3.030 3.701 -1.291) 4.954 6.355 ( 0.016 0.222 0.779) 0.810 6.529 ( 2.910 -1.736 0.743) 3.469 6.861 ( -4.631 8.107 -1.372) 9.437 7.059 ( -0.051 1.471 0.793) 1.671 8.108 ( 3.857 -6.854 -0.089) 7.865 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -2.547 -0.254 0.145) 2.564 2.861 ( -14.469 5.286 1.803) 15.510 3.280 ( -0.926 6.450 0.799) 6.565 3.733 ( -8.991 -7.123 -6.426) 13.148 3.948 ( 3.027 1.034 -3.165) 4.500 4.384 ( 0.893 0.941 6.101) 6.238 6.170 ( -7.469 0.640 -1.098) 7.576 6.335 ( -2.048 -1.195 0.521) 2.428 6.583 ( 1.338 1.893 1.448) 2.733 6.919 ( 2.400 8.374 -2.060) 8.951 7.075 ( 0.924 -0.134 1.994) 2.202 8.111 ( 4.318 -5.878 0.122) 7.295 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -5.212 -0.981 0.682) 5.347 2.614 ( -18.642 1.176 1.081) 18.711 3.327 ( -2.217 7.314 1.167) 7.731 3.513 ( -7.330 -7.132 -3.084) 10.682 4.016 ( 5.556 0.406 -2.110) 5.957 4.334 ( -9.176 0.098 2.090) 9.412 6.038 ( -7.934 -0.048 -0.716) 7.966 6.275 ( -3.785 -0.561 0.280) 3.837 6.584 ( -4.071 2.082 0.761) 4.636 7.062 ( 6.269 5.395 -4.126) 9.243 7.113 ( 4.907 -2.284 4.001) 6.731 8.156 ( 6.048 -2.626 0.754) 6.636 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -10.430 -0.000 0.000) 10.430 2.295 ( -19.227 -0.000 0.000) 19.227 3.323 ( -7.784 -0.000 0.000) 7.784 3.341 ( -4.473 -0.000 0.000) 4.473 4.102 ( -18.183 -0.000 0.000) 18.183 4.134 ( 8.647 0.000 -0.000) 8.647 5.902 ( -8.294 -0.000 0.000) 8.294 6.219 ( -2.187 -0.000 0.000) 2.187 6.509 ( -5.395 -0.000 0.000) 5.395 7.140 ( 2.715 0.000 -0.000) 2.715 7.261 ( 10.849 0.000 -0.000) 10.849 8.263 ( 7.734 0.000 -0.000) 7.734 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 0.000 16.621 3.117) 16.911 2.002 ( 0.000 16.267 2.312) 16.430 2.973 ( -0.000 1.845 -1.937) 2.675 3.077 ( -0.000 20.039 -7.222) 21.300 3.713 ( 0.000 19.232 4.344) 19.717 4.314 ( 0.000 -10.472 2.068) 10.674 5.619 ( -0.000 8.250 -0.673) 8.278 6.207 ( 0.000 -2.604 0.277) 2.619 6.422 ( 0.000 -0.069 0.544) 0.548 7.004 ( -0.000 -1.178 -7.042) 7.140 7.572 ( 0.000 -10.755 1.897) 10.921 8.545 ( -0.000 -4.570 -1.783) 4.906 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.517 11.066 -1.855) 11.232 2.155 ( 2.587 15.599 3.446) 16.184 3.021 ( 4.012 4.167 -1.745) 6.042 3.226 ( 2.657 9.216 -9.244) 13.321 3.941 ( 2.009 18.853 4.152) 19.409 4.237 ( 0.334 -6.926 5.588) 8.905 5.745 ( 5.077 8.555 0.893) 9.988 6.187 ( -0.673 -0.307 -0.084) 0.744 6.437 ( 1.417 1.013 -0.138) 1.747 6.972 ( 1.202 -3.707 -5.900) 7.071 7.460 ( -1.984 -9.640 1.456) 9.949 8.450 ( -5.133 -4.214 -2.299) 7.028 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 0.146 6.648 -3.029) 7.307 2.417 ( 7.534 16.208 3.724) 18.258 3.172 ( 9.346 4.116 -0.281) 10.216 3.298 ( 1.513 4.937 -7.571) 9.164 4.058 ( 0.303 -1.336 0.773) 1.573 4.289 ( 1.133 10.011 6.669) 12.082 5.937 ( 6.776 8.139 2.821) 10.960 6.181 ( -0.509 2.099 -1.606) 2.692 6.491 ( 3.128 2.545 -0.769) 4.105 6.932 ( 1.597 -5.902 -5.059) 7.936 7.334 ( -3.323 -7.990 1.378) 8.762 8.297 ( -7.487 -3.148 -2.210) 8.417 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 2.060 5.120 -1.778) 5.799 2.713 ( 7.398 15.964 3.248) 17.893 3.337 ( 0.300 3.915 -4.288) 5.814 3.403 ( 13.505 3.244 1.799) 14.005 4.022 ( 0.644 -6.153 1.874) 6.465 4.384 ( -3.509 8.417 0.469) 9.131 6.112 ( 3.936 5.848 3.770) 7.994 6.212 ( 1.854 4.209 -2.701) 5.333 6.567 ( 2.084 2.934 -1.601) 3.939 6.896 ( 3.065 -5.082 -4.144) 7.238 7.208 ( -4.285 -5.564 1.158) 7.118 8.149 ( -5.925 -2.433 -0.981) 6.479 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 2.168 3.729 -0.718) 4.373 2.972 ( 4.363 14.940 2.433) 15.753 3.353 ( -1.662 3.083 -1.422) 3.780 3.683 ( 14.098 3.886 3.161) 14.961 3.995 ( 3.355 -6.614 2.658) 7.879 4.319 ( -9.451 2.292 -4.609) 10.762 6.205 ( 2.053 4.254 -0.822) 4.794 6.300 ( 3.407 3.269 1.635) 4.997 6.567 ( -2.672 -0.989 -1.910) 3.430 6.938 ( 4.605 1.541 -2.914) 5.663 7.102 ( -3.991 -1.954 0.845) 4.523 8.052 ( -2.277 -3.427 0.230) 4.121 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 0.644 2.006 -0.289) 2.127 3.147 ( -0.770 12.548 1.508) 12.661 3.328 ( -3.207 1.429 0.709) 3.581 3.876 ( 2.987 1.685 0.194) 3.435 4.086 ( 6.556 -2.912 2.987) 7.771 4.116 ( -5.660 -2.000 -4.452) 7.474 6.271 ( 1.849 3.039 -2.605) 4.409 6.381 ( 1.794 1.808 3.081) 3.997 6.483 ( -2.407 -3.338 -0.850) 4.202 7.001 ( -2.209 6.209 -1.634) 6.789 7.065 ( 0.671 0.443 0.465) 0.929 8.003 ( 0.947 -4.929 0.335) 5.030 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -1.405 0.525 -0.095) 1.503 3.132 ( -11.311 4.329 0.878) 12.143 3.338 ( 0.899 3.981 1.243) 4.266 3.823 ( -10.523 -4.799 -3.397) 12.054 3.924 ( -0.607 1.014 -2.095) 2.406 4.314 ( 10.017 0.192 3.381) 10.573 6.276 ( -4.119 0.473 -1.207) 4.318 6.356 ( -2.408 -0.273 0.385) 2.453 6.519 ( 6.239 -0.225 1.049) 6.330 7.010 ( -2.595 6.545 -0.975) 7.108 7.075 ( -0.756 -0.766 0.675) 1.270 7.995 ( 3.340 -3.794 0.013) 5.055 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -3.270 -0.000 0.000) 3.270 2.917 ( -16.188 -0.000 0.000) 16.188 3.382 ( 0.663 0.000 -0.000) 0.663 3.608 ( -10.010 -0.000 0.000) 10.010 3.948 ( 2.637 0.000 -0.000) 2.637 4.414 ( 0.641 0.000 -0.000) 0.641 6.166 ( -7.572 -0.000 0.000) 7.572 6.326 ( -2.270 -0.000 0.000) 2.270 6.610 ( 2.972 0.000 -0.000) 2.972 7.028 ( 0.117 0.000 -0.000) 0.117 7.055 ( 1.271 0.000 -0.000) 1.271 8.047 ( 5.089 0.000 -0.000) 5.089 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -0.000 11.236 -1.068) 11.287 2.223 ( -0.000 6.563 -3.174) 7.290 3.012 ( 0.000 2.869 -0.068) 2.870 3.254 ( -0.000 6.745 -10.007) 12.068 4.060 ( 0.000 1.676 2.456) 2.974 4.265 ( 0.000 12.134 9.760) 15.573 5.784 ( 0.000 8.268 1.542) 8.410 6.202 ( 0.000 1.976 0.332) 2.004 6.430 ( -0.000 0.999 -0.957) 1.383 6.904 ( -0.000 -5.197 -4.929) 7.163 7.391 ( 0.000 -8.580 0.529) 8.596 8.447 ( -0.000 -4.153 -2.171) 4.686 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -2.031 3.830 -4.491) 6.242 2.395 ( 9.601 8.421 -1.268) 12.833 3.082 ( 4.783 2.896 0.620) 5.626 3.291 ( 1.419 4.039 -7.648) 8.764 4.032 ( -0.574 -5.103 3.010) 5.952 4.447 ( -0.794 16.719 7.485) 18.336 5.914 ( 5.364 7.498 2.522) 9.558 6.222 ( -1.067 4.048 -0.597) 4.229 6.457 ( 2.348 1.484 -1.219) 3.034 6.839 ( 0.687 -6.692 -3.897) 7.774 7.303 ( -1.508 -7.072 0.142) 7.232 8.364 ( -4.483 -3.259 -1.985) 5.887 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 1.628 2.722 -2.892) 4.292 2.670 ( 13.178 8.615 -0.004) 15.744 3.226 ( 9.448 1.711 1.179) 9.674 3.333 ( 1.976 2.663 -4.431) 5.534 3.981 ( -0.871 -4.586 2.446) 5.270 4.559 ( -4.732 11.279 3.204) 12.644 6.095 ( 6.367 5.885 3.329) 9.287 6.242 ( -1.068 5.093 -2.253) 5.671 6.528 ( 4.257 1.836 -1.025) 4.748 6.781 ( 2.018 -6.889 -2.977) 7.772 7.210 ( -2.368 -5.172 0.025) 5.688 8.238 ( -6.610 -1.875 -1.143) 6.965 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 3.010 2.347 -0.990) 3.943 2.973 ( 11.490 9.193 1.055) 14.753 3.374 ( 1.286 2.131 -2.879) 3.806 3.445 ( 15.180 -0.072 3.089) 15.491 3.933 ( -0.645 -3.644 1.376) 3.948 4.515 ( -10.245 4.905 -0.858) 11.392 6.222 ( 1.783 4.494 0.431) 4.854 6.282 ( 1.755 2.775 0.263) 3.294 6.581 ( -0.113 -0.247 -1.541) 1.565 6.806 ( 8.534 -2.334 -1.539) 8.980 7.132 ( -2.302 -2.549 -0.077) 3.435 8.111 ( -6.418 -1.210 -0.099) 6.532 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 2.034 1.243 -0.188) 2.391 3.203 ( 6.154 6.940 0.915) 9.321 3.382 ( -1.648 0.480 -0.351) 1.752 3.750 ( 18.628 1.259 2.342) 18.817 3.902 ( 0.922 -3.295 0.344) 3.439 4.322 ( -14.567 0.597 -2.447) 14.783 6.272 ( 0.568 3.390 -2.474) 4.235 6.339 ( 3.411 -0.727 2.927) 4.553 6.527 ( -4.045 -1.116 -0.894) 4.290 6.962 ( 9.005 1.168 -0.726) 9.110 7.088 ( -1.633 0.012 -0.115) 1.637 8.005 ( -4.553 -1.450 0.273) 4.786 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.219 0.000 -0.000) 0.219 3.311 ( -6.866 -0.000 0.000) 6.866 3.321 ( 3.380 0.000 -0.000) 3.380 3.881 ( -0.445 -0.000 0.000) 0.445 4.065 ( -14.594 -0.000 0.000) 14.594 4.084 ( 17.529 0.000 -0.000) 17.529 6.294 ( 0.674 0.000 -0.000) 0.674 6.415 ( 5.545 0.000 -0.000) 5.545 6.435 ( -5.769 -0.000 0.000) 5.769 7.068 ( -1.236 -0.000 0.000) 1.236 7.071 ( 2.569 0.000 -0.000) 2.569 7.950 ( -0.563 -0.000 0.000) 0.563 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -0.000 -1.378 -6.417) 6.563 2.332 ( -0.000 5.743 -2.756) 6.370 3.076 ( 0.000 3.062 1.071) 3.244 3.290 ( -0.000 2.650 -5.449) 6.059 4.001 ( 0.000 -4.336 3.197) 5.387 4.638 ( 0.000 15.010 6.870) 16.507 5.939 ( 0.000 6.084 2.582) 6.609 6.282 ( -0.000 6.033 -0.324) 6.041 6.445 ( -0.000 1.299 -1.843) 2.254 6.755 ( -0.000 -7.648 -2.513) 8.050 7.253 ( -0.000 -5.596 -0.417) 5.612 8.365 ( -0.000 -2.876 -1.782) 3.384 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 0.656 -0.464 -3.996) 4.076 2.484 ( 12.316 2.875 -2.493) 12.890 3.140 ( 4.106 2.269 1.116) 4.822 3.310 ( 1.513 1.483 -3.128) 3.778 3.968 ( -0.806 -2.877 2.214) 3.718 4.750 ( -3.630 9.898 4.183) 11.342 6.047 ( 5.528 4.321 2.362) 7.403 6.322 ( -2.209 6.387 -1.421) 6.906 6.478 ( 2.952 1.488 -0.857) 3.416 6.680 ( 0.933 -7.815 -1.609) 8.033 7.196 ( -1.228 -3.806 -0.449) 4.025 8.305 ( -3.688 -1.739 -1.148) 4.236 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 3.640 0.565 -1.181) 3.868 2.763 ( 18.068 2.162 -0.861) 18.217 3.261 ( 8.139 0.941 0.899) 8.243 3.347 ( 2.368 0.633 -1.222) 2.739 3.933 ( -1.392 -1.466 0.987) 2.249 4.723 ( -8.592 4.082 1.100) 9.576 6.190 ( 6.045 2.174 1.500) 6.596 6.325 ( -2.600 3.612 -1.402) 4.666 6.555 ( 3.289 1.612 -0.066) 3.663 6.647 ( 4.822 -5.094 -1.008) 7.087 7.142 ( -1.679 -1.751 -0.240) 2.437 8.210 ( -5.929 -0.589 -0.337) 5.968 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 3.514 0.000 -0.000) 3.514 3.067 ( 14.679 0.000 -0.000) 14.679 3.384 ( 1.473 0.000 -0.000) 1.473 3.452 ( 15.049 0.000 -0.000) 15.049 3.903 ( -1.395 -0.000 0.000) 1.395 4.559 ( -12.935 -0.000 0.000) 12.935 6.281 ( 3.560 0.000 -0.000) 3.560 6.300 ( -1.718 -0.000 0.000) 1.718 6.568 ( -1.393 -0.000 0.000) 1.393 6.780 ( 11.715 0.000 -0.000) 11.715 7.108 ( -1.340 -0.000 0.000) 1.340 8.100 ( -6.687 -0.000 0.000) 6.687 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -0.000 -1.778 -3.181) 3.644 2.388 ( -0.000 1.664 -1.325) 2.127 3.127 ( 0.000 1.326 0.573) 1.444 3.299 ( -0.000 0.616 -1.458) 1.583 3.960 ( 0.000 -1.388 1.202) 1.836 4.869 ( 0.000 5.426 2.550) 5.995 6.034 ( 0.000 2.220 1.333) 2.589 6.417 ( -0.000 7.885 -0.643) 7.911 6.455 ( -0.000 0.596 -1.011) 1.173 6.589 ( -0.000 -8.287 -0.331) 8.294 7.177 ( -0.000 -1.971 -0.354) 2.002 8.319 ( -0.000 -1.028 -0.687) 1.237 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 2.737 0.000 -0.000) 2.737 2.501 ( 12.352 0.000 -0.000) 12.352 3.168 ( 4.017 0.000 -0.000) 4.017 3.313 ( 1.556 0.000 -0.000) 1.556 3.948 ( -0.870 -0.000 0.000) 0.870 4.860 ( -4.662 -0.000 0.000) 4.662 6.097 ( 5.577 0.000 -0.000) 5.577 6.400 ( -3.779 -0.000 0.000) 3.779 6.527 ( 3.170 0.000 -0.000) 3.170 6.543 ( 2.095 0.000 -0.000) 2.095 7.157 ( -1.120 -0.000 0.000) 1.120 8.285 ( -3.324 -0.000 0.000) 3.324 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( 0.000 -0.000 25.310) 25.310 0.234 ( 0.000 -0.000 25.310) 25.310 0.388 ( 0.000 -0.000 42.095) 42.095 2.959 ( -0.000 0.000 -1.235) 1.235 2.959 ( -0.000 0.000 -1.235) 1.235 5.340 ( -0.000 0.000 -1.158) 1.158 5.340 ( -0.000 0.000 -1.158) 1.158 5.380 ( -0.000 0.000 -5.971) 5.971 6.479 ( 0.000 -0.000 0.785) 0.785 6.479 ( 0.000 -0.000 0.785) 0.785 8.166 ( 0.000 -0.000 2.757) 2.757 8.772 ( -0.000 0.000 -0.759) 0.759 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 16.241 9.377 8.657) 20.656 0.529 ( 15.470 8.932 14.128) 22.775 1.080 ( 34.970 20.190 19.777) 44.963 2.967 ( 0.818 0.473 -0.959) 1.347 3.016 ( 5.175 2.988 -2.670) 6.545 4.844 ( -4.745 -2.739 -0.148) 5.481 5.376 ( 2.841 1.640 -0.178) 3.285 6.458 ( -1.686 -0.974 0.330) 1.975 6.467 ( -1.061 -0.612 0.439) 1.301 6.802 ( 22.080 12.748 -40.748) 48.067 8.120 ( -5.036 -2.907 3.938) 7.023 8.715 ( -3.027 -1.747 -0.366) 3.514 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 19.051 10.999 1.985) 22.088 0.942 ( 18.476 10.667 3.855) 21.680 1.885 ( 32.356 18.681 9.047) 38.442 2.988 ( 1.257 0.726 -0.616) 1.577 3.177 ( 9.850 5.687 -1.071) 11.424 4.737 ( -4.905 -2.832 -1.558) 5.874 5.463 ( 4.808 2.776 0.735) 5.600 6.412 ( -2.277 -1.314 -0.189) 2.636 6.414 ( -3.824 -2.208 0.984) 4.523 7.014 ( 8.899 5.138 -16.129) 19.124 7.981 ( -8.373 -4.834 4.782) 10.786 8.618 ( -5.227 -3.018 -4.431) 7.488 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 18.977 10.956 -0.707) 21.924 1.355 ( 18.055 10.424 -2.094) 20.953 2.536 ( 24.721 14.273 -1.933) 28.611 3.018 ( 1.513 0.874 -0.193) 1.758 3.449 ( 14.053 8.113 4.153) 16.750 4.619 ( -5.448 -3.146 1.094) 6.386 5.589 ( 6.036 3.485 1.606) 7.152 6.316 ( -4.786 -2.763 0.809) 5.585 6.365 ( -1.554 -0.897 -0.838) 1.981 7.142 ( 5.514 3.183 -6.529) 9.120 7.787 ( -10.224 -5.903 4.960) 12.805 8.462 ( -6.609 -3.816 -8.226) 11.221 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 17.155 9.905 -2.155) 19.926 1.719 ( 15.563 8.985 -5.874) 18.906 2.978 ( 17.180 9.919 -8.001) 21.390 3.053 ( 1.498 0.865 0.308) 1.757 3.795 ( 14.295 8.253 6.648) 17.795 4.508 ( -5.406 -3.121 5.487) 8.311 5.730 ( 5.790 3.343 2.425) 7.111 6.230 ( -2.606 -1.504 0.648) 3.078 6.348 ( 0.521 0.301 -1.578) 1.688 7.196 ( 0.259 0.149 -3.242) 3.256 7.555 ( -12.071 -6.969 3.803) 14.447 8.312 ( -3.554 -2.052 -8.790) 9.700 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 11.519 6.650 -7.141) 15.096 2.053 ( 13.827 7.983 -2.834) 16.216 3.084 ( 1.123 0.649 0.792) 1.520 3.292 ( 13.799 7.967 -7.743) 17.715 4.073 ( 8.704 5.025 3.620) 10.683 4.413 ( -5.345 -3.086 9.704) 11.501 5.848 ( 3.911 2.258 2.806) 5.316 6.218 ( 1.467 0.847 0.070) 1.695 6.382 ( 2.975 1.718 -1.989) 3.970 7.141 ( -3.853 -2.224 -2.396) 5.053 7.271 ( -13.646 -7.879 0.304) 15.760 8.270 ( 1.318 0.761 -5.020) 5.246 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 7.002 4.043 -5.804) 9.953 2.304 ( 9.346 5.396 -2.710) 11.127 3.105 ( 0.433 0.250 1.032) 1.146 3.555 ( 12.043 6.953 -8.200) 16.144 4.208 ( 3.231 1.865 0.325) 3.745 4.316 ( -6.505 -3.756 12.638) 14.702 5.918 ( 1.764 1.018 2.357) 3.115 6.289 ( 4.761 2.749 -1.068) 5.600 6.455 ( 3.618 2.089 -1.667) 4.498 6.967 ( -12.677 -7.319 1.368) 14.702 7.052 ( -3.251 -1.877 -3.752) 5.307 8.310 ( 2.608 1.505 -1.905) 3.563 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 3.226 1.862 -2.947) 4.750 2.446 ( 3.952 2.282 -1.636) 4.848 3.109 ( -0.262 -0.151 0.706) 0.768 3.770 ( 9.881 5.705 -12.014) 16.569 4.135 ( -8.747 -5.050 1.258) 10.178 4.297 ( 0.441 0.255 12.090) 12.101 5.945 ( 0.129 0.074 1.422) 1.430 6.408 ( 5.596 3.231 -1.161) 6.566 6.514 ( 1.806 1.043 -0.951) 2.292 6.727 ( -8.231 -4.752 -0.324) 9.510 7.006 ( -0.334 -0.193 0.263) 0.467 8.352 ( 1.290 0.745 -0.744) 1.665 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.063 0.036 0.525) 0.530 2.465 ( -2.161 -1.247 0.261) 2.508 3.099 ( -0.594 -0.343 -0.253) 0.731 3.876 ( -4.027 -2.325 -11.383) 12.296 3.962 ( 0.924 0.534 -1.352) 1.722 4.325 ( -1.630 -0.941 10.012) 10.187 5.934 ( -1.329 -0.767 0.302) 1.564 6.430 ( -4.964 -2.866 1.011) 5.821 6.522 ( -0.963 -0.556 -0.141) 1.121 6.699 ( 7.328 4.231 -2.741) 8.894 7.039 ( 2.745 1.585 3.334) 4.601 8.360 ( -0.354 -0.205 0.078) 0.417 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -4.296 -2.481 4.160) 6.475 2.352 ( -8.286 -4.784 2.229) 9.824 3.083 ( -0.713 -0.412 -1.239) 1.488 3.654 ( -10.727 -6.193 0.569) 12.400 4.068 ( 6.832 3.945 -10.200) 12.895 4.261 ( -6.449 -3.723 4.295) 8.596 5.887 ( -2.869 -1.656 -0.974) 3.453 6.300 ( -5.561 -3.211 0.031) 6.422 6.478 ( -2.836 -1.637 0.747) 3.359 6.913 ( 10.918 6.303 -3.348) 13.044 7.143 ( 5.430 3.135 4.821) 7.909 8.350 ( -0.467 -0.270 2.183) 2.249 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -13.545 -7.820 3.689) 16.069 2.136 ( -10.587 -6.112 6.768) 13.973 3.060 ( -0.903 -0.521 -1.713) 2.005 3.417 ( -11.882 -6.860 4.743) 14.516 4.032 ( -12.733 -7.352 -0.247) 14.705 4.219 ( 7.913 4.569 -10.260) 13.739 5.799 ( -4.518 -2.608 -2.245) 5.679 6.211 ( -1.941 -1.120 -0.601) 2.320 6.416 ( -2.612 -1.508 1.585) 3.407 7.107 ( 6.803 3.928 -4.601) 9.104 7.313 ( 8.567 4.946 3.423) 10.468 8.373 ( 1.813 1.046 5.504) 5.888 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -17.450 -10.075 4.852) 20.725 1.853 ( -16.603 -9.586 7.730) 20.671 3.033 ( -1.053 -0.608 -1.783) 2.158 3.099 ( -19.675 -11.359 4.610) 23.182 3.703 ( -14.491 -8.366 -3.038) 17.006 4.388 ( 9.145 5.280 -6.582) 12.443 5.676 ( -5.630 -3.250 -3.068) 7.188 6.216 ( 2.476 1.430 -0.782) 2.964 6.383 ( -0.788 -0.455 2.014) 2.210 7.184 ( 1.618 0.934 -4.358) 4.741 7.526 ( 9.667 5.581 0.622) 11.179 8.466 ( 4.525 2.612 7.087) 8.805 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -19.769 -11.414 6.249) 23.667 1.461 ( -20.445 -11.804 7.981) 24.921 2.531 ( -31.293 -18.067 -1.143) 36.153 3.004 ( -1.009 -0.583 -1.706) 2.066 3.417 ( -10.868 -6.274 -0.197) 12.550 4.572 ( 8.452 4.880 -3.360) 10.322 5.541 ( -5.375 -3.103 -3.233) 6.998 6.300 ( 4.734 2.733 -0.863) 5.535 6.393 ( 0.982 0.567 1.950) 2.256 7.171 ( -1.173 -0.677 -3.659) 3.902 7.740 ( 9.427 5.443 -0.052) 10.885 8.593 ( 4.650 2.684 5.379) 7.600 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -20.585 -11.885 8.582) 25.272 1.010 ( -22.001 -12.702 8.682) 26.847 1.748 ( -37.503 -21.652 -3.160) 43.420 2.979 ( -0.739 -0.427 -1.593) 1.808 3.202 ( -8.717 -5.033 0.713) 10.091 4.730 ( 6.246 3.606 -1.806) 7.435 5.427 ( -3.865 -2.232 -2.862) 5.302 6.398 ( 3.893 2.248 -0.735) 4.555 6.430 ( 1.651 0.953 1.627) 2.507 7.125 ( -1.663 -0.960 -5.725) 6.038 7.940 ( 8.280 4.781 0.829) 9.597 8.689 ( 2.645 1.527 2.561) 3.986 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.000 24.703 9.993) 26.648 0.678 ( 0.000 19.598 17.607) 26.346 1.033 ( 0.000 33.422 22.918) 40.525 2.945 ( -0.000 0.097 -2.522) 2.524 3.029 ( -0.000 6.914 -1.958) 7.186 4.834 ( -0.000 -7.302 -0.674) 7.333 5.335 ( -0.000 1.529 -2.736) 3.134 6.459 ( 0.000 -2.253 0.365) 2.283 6.480 ( 0.000 -1.000 1.673) 1.949 6.673 ( -0.000 31.309 -41.178) 51.729 8.131 ( 0.000 -6.006 4.453) 7.477 8.735 ( -0.000 -1.606 -0.411) 1.658 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.434 19.671 15.855) 25.269 0.964 ( 6.015 25.181 3.837) 26.172 1.666 ( 23.251 29.007 12.117) 39.100 2.966 ( 2.582 0.843 -1.891) 3.310 3.123 ( 3.511 8.691 -1.709) 9.528 4.744 ( -2.023 -6.002 -2.914) 6.972 5.399 ( 5.203 2.235 -1.648) 5.897 6.418 ( -1.492 -3.515 -0.000) 3.819 6.455 ( -2.125 -1.328 1.597) 2.971 6.875 ( 8.153 11.973 -22.821) 27.030 8.039 ( -4.222 -8.121 5.029) 10.444 8.673 ( -4.744 -1.911 -2.451) 5.671 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 9.369 17.404 9.052) 21.740 1.321 ( 8.466 21.867 -0.463) 23.453 2.316 ( 21.381 22.072 0.517) 30.734 3.020 ( 1.590 3.218 -0.809) 3.680 3.326 ( 10.819 9.112 2.293) 14.329 4.639 ( -2.562 -6.077 -1.407) 6.744 5.525 ( 6.437 3.843 -0.170) 7.499 6.343 ( -2.775 -4.578 -0.232) 5.359 6.404 ( -2.960 -0.304 1.026) 3.147 7.038 ( 7.680 5.225 -11.299) 14.627 7.877 ( -6.978 -8.926 5.310) 12.512 8.529 ( -7.811 -2.954 -5.886) 10.217 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 12.506 14.723 2.949) 19.542 1.656 ( 9.457 17.733 -3.109) 20.336 2.793 ( 16.180 15.207 -7.544) 23.452 3.070 ( 0.116 4.574 -0.643) 4.621 3.656 ( 14.745 9.518 6.753) 18.805 4.539 ( -2.444 -6.095 2.349) 6.974 5.679 ( 6.336 5.210 1.199) 8.290 6.252 ( -2.606 -3.668 -0.192) 4.504 6.368 ( -1.931 1.515 -0.063) 2.455 7.147 ( 4.339 0.738 -5.870) 7.336 7.672 ( -9.199 -9.039 5.129) 13.880 8.347 ( -6.922 -2.773 -8.138) 11.038 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 10.967 10.745 -3.268) 15.697 1.964 ( 9.761 14.967 -2.118) 17.994 3.106 ( 0.198 4.448 -0.957) 4.554 3.140 ( 12.407 11.840 -7.101) 18.562 3.978 ( 10.896 6.685 4.828) 13.664 4.457 ( -2.190 -5.907 6.670) 9.175 5.831 ( 4.446 5.787 2.409) 7.685 6.203 ( 0.158 -1.270 -0.539) 1.388 6.374 ( 0.155 3.253 -1.049) 3.421 7.148 ( -0.858 -2.502 -4.889) 5.559 7.419 ( -12.436 -8.829 3.204) 15.584 8.238 ( -0.654 -1.240 -5.959) 6.121 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 7.898 6.607 -5.337) 11.598 2.244 ( 7.657 13.101 -1.660) 15.265 3.130 ( -1.058 3.326 0.389) 3.512 3.427 ( 10.864 10.691 -6.924) 16.741 4.162 ( 5.097 2.379 1.589) 5.845 4.385 ( -3.025 -5.939 9.697) 11.767 5.943 ( 1.159 5.940 2.828) 6.680 6.232 ( 3.608 0.858 -1.379) 3.957 6.427 ( 2.187 3.846 -1.415) 4.645 7.066 ( -3.414 -3.699 -6.145) 7.944 7.127 ( -12.967 -6.503 3.004) 14.814 8.249 ( 3.743 -0.891 -2.429) 4.550 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 4.830 3.600 -4.104) 7.289 2.447 ( 3.112 10.842 -1.629) 11.397 3.137 ( -1.590 2.248 0.861) 2.885 3.656 ( 8.053 8.867 -9.389) 15.220 4.192 ( -3.103 -2.814 -3.260) 5.308 4.325 ( -0.264 -3.784 14.925) 15.399 6.001 ( -1.969 5.947 2.189) 6.635 6.321 ( 5.973 1.443 -1.811) 6.406 6.499 ( 2.437 3.237 -0.947) 4.161 6.839 ( -10.843 -5.506 -1.785) 12.291 7.019 ( -1.647 -0.401 0.390) 1.739 8.299 ( 3.860 -1.853 -0.982) 4.393 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 2.053 1.123 -1.866) 2.993 2.539 ( -2.718 7.839 -0.402) 8.307 3.128 ( -1.899 1.677 0.486) 2.580 3.804 ( 5.157 5.815 -14.386) 16.351 4.028 ( -7.788 -5.979 -0.176) 9.820 4.365 ( 0.457 -1.287 13.319) 13.389 6.007 ( -4.226 5.138 1.107) 6.744 6.416 ( 3.564 -1.546 -0.000) 3.885 6.550 ( -0.815 1.566 -0.506) 1.836 6.671 ( -2.100 1.181 -2.235) 3.286 7.026 ( 1.332 1.129 2.415) 2.980 8.326 ( 2.404 -3.075 -0.539) 3.940 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -0.844 -1.629 0.798) 2.001 2.498 ( -9.090 3.472 1.798) 9.895 3.114 ( -1.947 2.317 -0.545) 3.075 3.753 ( -7.716 -4.032 -8.197) 11.957 3.969 ( 4.538 1.974 -4.950) 7.000 4.353 ( -4.849 -1.979 9.061) 10.466 5.966 ( -5.725 3.316 -0.045) 6.616 6.359 ( -5.047 -3.988 0.489) 6.451 6.511 ( -2.282 -0.231 -0.076) 2.295 6.803 ( 8.921 7.470 -2.758) 11.958 7.096 ( 4.268 1.613 3.993) 6.063 8.325 ( 1.759 -3.545 0.637) 4.008 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -5.457 -4.482 3.327) 7.806 2.315 ( -14.646 -1.724 3.532) 15.164 3.103 ( -2.579 3.548 -1.337) 4.585 3.549 ( -9.330 -4.928 -0.603) 10.569 4.080 ( 7.331 2.862 -6.692) 10.330 4.201 ( -11.814 -4.282 2.359) 12.785 5.881 ( -6.738 1.131 -1.141) 6.927 6.246 ( -4.100 -1.949 -0.339) 4.553 6.463 ( -3.358 -0.080 0.926) 3.484 7.013 ( 8.291 6.107 -4.508) 11.242 7.223 ( 7.431 2.052 4.192) 8.775 8.339 ( 3.187 -2.454 3.128) 5.095 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -17.953 -8.097 5.946) 20.573 2.060 ( -12.569 -4.022 3.306) 13.604 3.082 ( -3.658 3.559 -2.013) 5.487 3.324 ( -13.817 -5.446 3.428) 15.242 3.885 ( -17.441 -6.888 -0.888) 18.773 4.245 ( 10.045 3.480 -6.354) 12.385 5.761 ( -7.463 -0.326 -1.982) 7.729 6.201 ( -0.013 0.333 -0.641) 0.722 6.415 ( -2.633 0.313 1.510) 3.051 7.140 ( 3.659 2.520 -5.088) 6.754 7.406 ( 9.983 2.907 2.123) 10.612 8.412 ( 5.661 -0.465 4.940) 7.527 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -20.581 -11.016 6.480) 24.227 1.774 ( -18.659 -3.387 3.886) 19.358 2.910 ( -26.514 -8.233 -0.303) 27.764 3.057 ( -5.460 2.757 -0.214) 6.121 3.553 ( -13.146 -5.708 -0.988) 14.366 4.439 ( 10.547 3.294 -3.289) 11.528 5.622 ( -7.479 -0.615 -2.317) 7.854 6.244 ( 3.900 1.663 -0.719) 4.300 6.396 ( -0.551 0.306 1.651) 1.767 7.167 ( 0.052 0.511 -4.664) 4.692 7.612 ( 10.656 2.859 0.963) 11.075 8.531 ( 6.449 0.288 3.818) 7.500 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -21.306 -11.266 7.657) 25.288 1.403 ( -23.491 -2.742 3.065) 23.849 2.266 ( -38.830 -6.969 0.146) 39.451 3.011 ( -3.045 1.653 -1.187) 3.663 3.320 ( -10.165 -3.378 -0.131) 10.713 4.624 ( 8.922 2.315 -1.597) 9.355 5.496 ( -6.335 0.229 -1.975) 6.640 6.338 ( 5.116 1.554 -0.739) 5.397 6.410 ( 1.375 -0.238 1.524) 2.066 7.136 ( -2.150 0.342 -5.848) 6.240 7.817 ( 10.494 2.057 1.607) 10.814 8.636 ( 5.055 -0.656 0.930) 5.181 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 19.966 12.004) 23.296 1.166 ( 0.000 24.143 7.894) 25.401 1.826 ( 0.000 37.077 10.605) 38.563 2.934 ( -0.000 0.654 -3.186) 3.252 3.191 ( -0.000 10.574 -1.523) 10.683 4.682 ( -0.000 -7.533 -3.436) 8.280 5.371 ( -0.000 4.209 -2.932) 5.130 6.390 ( -0.000 -4.880 -0.112) 4.881 6.463 ( 0.000 -1.718 1.821) 2.504 6.865 ( -0.000 11.969 -19.121) 22.558 7.998 ( 0.000 -10.397 4.904) 11.495 8.691 ( -0.000 -2.337 -2.401) 3.350 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -0.808 21.140 12.445) 24.544 1.446 ( 3.163 22.005 2.378) 22.358 2.298 ( 10.569 30.724 1.800) 32.541 2.984 ( 5.179 2.232 -1.781) 5.914 3.314 ( 3.091 11.543 0.423) 11.957 4.590 ( -0.738 -8.031 -2.288) 8.383 5.459 ( 5.367 5.268 -1.792) 7.731 6.328 ( -1.336 -5.312 -0.209) 5.481 6.440 ( -1.427 -1.139 1.501) 2.363 6.953 ( 4.547 6.911 -12.460) 14.957 7.879 ( -3.234 -11.254 4.675) 12.609 8.606 ( -5.721 -2.930 -4.023) 7.583 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 2.700 20.663 9.559) 22.926 1.706 ( 5.148 18.102 -1.494) 18.879 2.711 ( 10.639 20.403 -7.307) 24.143 3.097 ( 3.181 5.137 -1.761) 6.293 3.556 ( 10.842 12.457 5.539) 17.418 4.497 ( -0.596 -8.155 0.695) 8.206 5.622 ( 7.220 6.563 -0.030) 9.757 6.249 ( -2.008 -4.481 -0.467) 4.933 6.415 ( -1.484 0.874 0.779) 1.890 7.051 ( 5.234 1.646 -7.587) 9.363 7.712 ( -5.443 -11.011 4.575) 13.107 8.435 ( -8.810 -2.996 -6.019) 11.082 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 4.078 14.337 0.795) 14.927 1.985 ( 7.226 18.483 1.405) 19.895 3.034 ( 11.199 14.558 -7.634) 19.891 3.167 ( 0.209 5.886 -2.010) 6.224 3.882 ( 11.082 9.896 4.499) 15.524 4.422 ( -0.014 -7.855 4.383) 8.995 5.811 ( 6.487 7.626 1.755) 10.164 6.187 ( -0.751 -2.389 -1.114) 2.741 6.417 ( -0.819 3.430 -0.185) 3.531 7.091 ( 2.341 -2.686 -5.944) 6.930 7.514 ( -8.015 -9.965 4.153) 13.446 8.257 ( -6.043 -2.200 -5.820) 8.673 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 5.011 9.199 -2.638) 10.802 2.283 ( 6.085 18.156 1.502) 19.207 3.190 ( -0.889 4.970 -1.816) 5.366 3.348 ( 10.496 12.863 -4.441) 17.186 4.100 ( 6.023 3.878 1.037) 7.238 4.369 ( -0.170 -7.144 6.641) 9.756 5.982 ( 3.744 7.772 3.195) 9.199 6.182 ( 2.155 0.156 -2.254) 3.123 6.451 ( 0.021 4.953 -0.909) 5.036 7.046 ( -0.990 -4.270 -6.117) 7.525 7.276 ( -11.139 -7.485 2.909) 13.732 8.181 ( 0.789 -2.131 -2.791) 3.599 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 4.192 5.866 -2.830) 7.746 2.531 ( 2.863 16.615 0.437) 16.866 3.203 ( -2.225 3.936 0.060) 4.522 3.606 ( 7.532 11.312 -5.498) 14.660 4.182 ( 1.386 -0.265 -1.732) 2.235 4.308 ( -0.235 -7.646 9.018) 11.826 6.098 ( 0.276 7.339 2.866) 7.883 6.243 ( 4.348 2.162 -2.429) 5.429 6.499 ( 0.861 3.825 -0.863) 4.014 6.935 ( -6.409 -4.418 -5.285) 9.409 7.073 ( -6.157 -1.938 2.542) 6.937 8.198 ( 4.216 -3.469 -0.809) 5.519 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 2.204 3.108 -2.141) 4.371 2.690 ( -2.124 14.268 0.289) 14.428 3.194 ( -2.915 3.007 0.947) 4.294 3.767 ( 3.160 8.109 -9.413) 12.820 4.080 ( -6.488 -5.890 -4.216) 9.725 4.344 ( 4.807 -3.208 12.821) 14.064 6.147 ( -3.535 6.868 1.229) 7.822 6.336 ( 4.608 1.454 -0.979) 4.930 6.546 ( 1.972 1.073 -0.213) 2.255 6.763 ( -7.768 0.344 -2.451) 8.153 7.035 ( -0.381 1.063 1.582) 1.944 8.227 ( 4.119 -5.093 -0.506) 6.570 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -0.108 0.432 -0.978) 1.074 2.720 ( -8.889 9.566 1.678) 13.166 3.181 ( -2.428 3.723 0.530) 4.476 3.788 ( -3.870 0.356 -13.863) 14.397 3.935 ( -0.947 -2.481 0.094) 2.657 4.412 ( 0.383 -1.315 10.470) 10.559 6.118 ( -6.716 4.654 0.149) 8.173 6.375 ( -0.459 -2.533 0.400) 2.605 6.555 ( -1.673 0.877 0.126) 1.894 6.754 ( 3.488 7.349 -2.337) 8.464 7.067 ( 1.935 1.266 2.558) 3.449 8.233 ( 3.478 -5.972 -0.233) 6.914 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -2.891 -2.107 0.464) 3.607 2.584 ( -15.233 2.951 3.084) 15.820 3.191 ( -2.415 6.083 -0.140) 6.547 3.621 ( -6.758 -5.066 -6.610) 10.725 3.980 ( 4.976 1.988 -3.716) 6.521 4.363 ( -8.092 -1.855 6.089) 10.296 6.023 ( -8.010 1.899 -0.250) 8.236 6.299 ( -4.324 -2.154 -0.148) 4.833 6.534 ( -3.417 2.519 0.690) 4.301 6.926 ( 7.948 7.049 -3.863) 11.304 7.140 ( 4.955 0.370 3.607) 6.139 8.242 ( 4.416 -5.145 1.008) 6.855 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -7.747 -4.362 2.042) 9.122 2.309 ( -18.755 -1.101 2.802) 18.995 3.198 ( -4.541 6.595 -1.067) 8.078 3.447 ( -6.994 -5.217 -1.554) 8.863 4.102 ( 8.281 2.507 -3.691) 9.406 4.138 ( -17.046 -3.289 2.498) 17.539 5.896 ( -8.432 0.698 -0.319) 8.467 6.221 ( -2.741 -0.496 -0.716) 2.876 6.489 ( -4.521 1.746 0.825) 4.917 7.083 ( 5.172 4.214 -5.091) 8.392 7.269 ( 8.925 0.323 3.259) 9.507 8.300 ( 6.692 -2.991 2.060) 7.614 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -20.046 -6.059 4.292) 21.377 2.024 ( -14.558 -1.320 0.300) 14.621 3.141 ( -8.592 3.619 -3.830) 10.079 3.251 ( -11.848 -3.745 1.521) 12.519 3.783 ( -19.902 -2.737 0.602) 20.098 4.281 ( 10.504 2.593 -0.731) 10.844 5.757 ( -8.734 0.594 -0.334) 8.761 6.207 ( 1.315 0.499 -0.788) 1.612 6.434 ( -3.209 0.337 0.784) 3.320 7.152 ( 1.638 1.922 -3.947) 4.686 7.451 ( 10.959 0.635 1.757) 11.117 8.408 ( 7.908 -1.799 0.785) 8.148 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -22.874 -3.472 3.977) 23.475 1.735 ( -18.930 -2.014 -1.113) 19.069 2.812 ( -28.749 -0.272 -3.233) 28.932 3.099 ( -5.855 0.183 0.835) 5.917 3.497 ( -13.632 0.821 1.159) 13.706 4.480 ( 10.212 1.770 0.769) 10.393 5.623 ( -8.024 1.285 -0.026) 8.127 6.261 ( 4.546 0.375 -0.592) 4.599 6.400 ( -0.695 -0.873 0.622) 1.278 7.162 ( -1.105 1.839 -3.649) 4.233 7.648 ( 11.427 -0.066 2.059) 11.611 8.514 ( 7.118 -2.499 -2.352) 7.902 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 18.336 6.467) 19.443 1.647 ( 0.000 21.135 5.055) 21.731 2.542 ( 0.000 32.207 -0.022) 32.207 2.934 ( -0.000 1.417 -2.765) 3.107 3.415 ( 0.000 13.427 1.371) 13.496 4.507 ( -0.000 -8.903 -1.120) 8.973 5.465 ( -0.000 7.025 -1.643) 7.214 6.287 ( -0.000 -5.211 0.193) 5.215 6.440 ( 0.000 -1.486 1.139) 1.872 6.943 ( -0.000 5.403 -10.235) 11.574 7.804 ( 0.000 -12.207 3.799) 12.784 8.614 ( -0.000 -3.493 -3.953) 5.275 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 3.450 17.398 3.255) 18.033 1.839 ( -1.158 18.065 3.844) 18.506 2.797 ( 0.851 20.665 -6.766) 21.762 3.038 ( 7.846 5.096 -2.989) 9.822 3.595 ( 3.615 16.599 5.234) 17.776 4.420 ( -0.000 -8.957 1.522) 9.085 5.582 ( 5.300 8.060 -0.264) 9.650 6.233 ( -1.124 -4.067 0.193) 4.223 6.431 ( -0.005 -0.375 0.526) 0.646 6.977 ( 2.640 1.614 -7.371) 7.994 7.676 ( -2.365 -11.915 3.146) 12.548 8.515 ( -5.820 -3.545 -4.773) 8.320 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.509 11.633 -2.313) 11.872 2.082 ( 5.223 19.614 6.160) 21.212 3.001 ( 6.956 13.863 -5.766) 16.547 3.176 ( 3.912 4.884 -5.275) 8.185 3.863 ( 6.337 15.248 4.269) 17.055 4.351 ( 0.561 -7.937 4.625) 9.203 5.777 ( 7.423 8.803 1.449) 11.606 6.180 ( -1.342 -2.090 -0.547) 2.544 6.444 ( 0.788 1.905 -0.263) 2.078 7.001 ( 2.799 -2.597 -5.706) 6.865 7.522 ( -4.035 -10.742 2.910) 11.838 8.345 ( -8.322 -2.764 -4.944) 10.066 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 2.229 8.790 -2.153) 9.321 2.381 ( 5.760 19.225 4.490) 20.566 3.225 ( 2.890 7.358 -4.922) 9.313 3.282 ( 9.176 8.459 -1.559) 12.577 4.060 ( 3.743 5.400 -0.107) 6.571 4.321 ( 0.617 -3.991 5.763) 7.037 5.986 ( 6.151 8.471 3.258) 10.964 6.155 ( 0.298 0.360 -2.096) 2.147 6.489 ( 1.015 4.173 -1.092) 4.432 6.980 ( 1.301 -4.816 -5.389) 7.344 7.352 ( -6.204 -8.700 2.439) 10.960 8.189 ( -5.268 -2.060 -3.130) 6.465 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 2.938 6.610 -1.499) 7.387 2.656 ( 3.743 18.286 3.047) 18.912 3.271 ( -0.834 4.555 -1.954) 5.026 3.558 ( 10.572 10.026 -0.646) 14.584 4.122 ( 3.843 -2.948 1.391) 5.039 4.288 ( -3.257 -2.733 1.079) 4.387 6.133 ( 2.362 4.217 2.472) 5.429 6.207 ( 3.881 5.173 -1.586) 6.659 6.534 ( -0.389 3.693 -1.446) 3.985 6.935 ( -0.070 -2.734 -5.041) 5.735 7.172 ( -7.389 -4.892 1.918) 9.067 8.118 ( 0.195 -3.148 -0.750) 3.242 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 1.868 4.349 -1.090) 4.857 2.866 ( 0.016 16.644 2.033) 16.768 3.278 ( -2.688 3.585 0.331) 4.493 3.775 ( 4.351 8.509 -3.361) 10.131 4.130 ( -6.711 -2.431 -6.305) 9.524 4.216 ( 7.602 -7.153 8.824) 13.668 6.204 ( 2.265 3.077 -0.914) 3.928 6.319 ( 2.112 5.417 1.244) 5.946 6.530 ( -0.703 -0.776 -0.771) 1.301 6.887 ( -4.756 3.100 -3.360) 6.597 7.065 ( -2.286 -0.385 1.447) 2.732 8.109 ( 3.052 -5.334 0.005) 6.145 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -0.104 2.017 -0.800) 2.173 2.968 ( -6.530 12.673 2.034) 14.401 3.264 ( -2.638 3.573 1.440) 4.669 3.840 ( -3.588 4.795 -9.560) 11.281 3.935 ( -4.847 -6.007 -2.071) 7.992 4.354 ( 8.191 -2.550 8.370) 11.986 6.240 ( -2.392 2.840 -0.969) 3.838 6.360 ( -0.594 0.469 0.240) 0.794 6.537 ( 3.347 -1.050 1.073) 3.668 6.845 ( -4.684 8.465 -1.923) 9.864 7.068 ( 0.410 1.188 1.116) 1.681 8.107 ( 3.725 -6.706 -0.149) 7.672 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -2.265 -0.007 -0.382) 2.297 2.881 ( -14.298 4.695 2.542) 15.262 3.290 ( -1.210 6.927 1.553) 7.201 3.666 ( -8.115 -4.564 -7.856) 12.182 3.928 ( 2.434 1.244 -1.378) 3.062 4.435 ( 0.384 -1.513 4.990) 5.228 6.165 ( -7.320 0.619 -0.001) 7.347 6.335 ( -1.980 -1.271 -0.460) 2.398 6.594 ( 1.166 1.824 0.996) 2.383 6.897 ( 1.618 8.558 -2.655) 9.105 7.093 ( 1.776 -0.322 1.949) 2.657 8.112 ( 4.589 -5.810 0.091) 7.404 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -4.860 -1.259 -0.115) 5.022 2.629 ( -18.612 -0.083 2.155) 18.737 3.338 ( -2.836 7.774 1.248) 8.369 3.481 ( -6.210 -5.433 -3.919) 9.135 4.003 ( 5.314 1.847 -0.849) 5.690 4.352 ( -9.578 -1.843 1.792) 9.917 6.039 ( -7.959 0.134 0.813) 8.002 6.272 ( -3.844 -0.475 -0.939) 3.985 6.588 ( -4.128 1.624 0.186) 4.440 7.022 ( 5.406 5.527 -4.545) 8.968 7.147 ( 5.607 -2.077 3.326) 6.843 8.160 ( 6.370 -3.115 0.304) 7.097 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -10.067 -1.510 -0.425) 10.188 2.300 ( -19.486 -1.172 1.074) 19.550 3.319 ( -8.248 2.267 -0.738) 8.586 3.332 ( -4.655 -1.592 -1.975) 5.301 4.086 ( -11.352 -0.466 -2.032) 11.542 4.161 ( 2.374 1.797 4.652) 5.523 5.909 ( -8.415 0.407 1.429) 8.545 6.213 ( -2.118 0.227 -1.188) 2.439 6.508 ( -5.280 -0.551 -0.246) 5.315 7.122 ( 3.246 2.654 -3.611) 5.533 7.274 ( 10.344 -1.709 2.485) 10.774 8.257 ( 7.494 -1.398 -1.241) 7.724 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -19.818 0.563 -0.286) 19.828 2.002 ( -15.926 -0.499 -1.847) 16.040 3.170 ( -15.856 3.204 -6.566) 17.458 3.183 ( -5.598 -4.142 0.537) 6.984 3.808 ( -18.042 3.825 3.071) 18.697 4.335 ( 9.762 1.591 4.542) 10.884 5.777 ( -8.493 0.903 1.724) 8.714 6.207 ( 1.510 0.112 -0.756) 1.693 6.422 ( -3.272 -1.616 -0.428) 3.674 7.172 ( 1.373 1.861 -2.080) 3.111 7.451 ( 11.767 -1.939 2.071) 12.104 8.357 ( 7.004 -1.960 -4.576) 8.593 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.000 14.968 1.091) 15.008 2.013 ( 0.000 14.388 0.090) 14.388 2.959 ( -0.000 2.458 -1.116) 2.700 2.995 ( -0.000 17.715 -10.389) 20.537 3.765 ( 0.000 20.067 6.840) 21.200 4.343 ( 0.000 -8.366 4.146) 9.337 5.618 ( 0.000 8.962 0.491) 8.975 6.211 ( 0.000 -2.570 0.697) 2.663 6.423 ( -0.000 -0.538 -0.171) 0.565 6.944 ( -0.000 -0.251 -6.011) 6.016 7.589 ( 0.000 -11.575 1.846) 11.721 8.515 ( -0.000 -3.854 -4.569) 5.977 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -0.740 9.874 -3.563) 10.524 2.177 ( 5.257 13.878 1.289) 14.896 3.008 ( 3.340 6.085 -1.094) 7.027 3.138 ( 3.672 8.488 -9.549) 13.293 3.982 ( 0.821 16.234 4.574) 16.887 4.298 ( 0.369 -3.882 7.360) 8.329 5.757 ( 5.398 9.214 1.693) 10.812 6.188 ( -1.157 -0.527 0.240) 1.294 6.432 ( 1.466 0.601 -0.791) 1.771 6.924 ( 1.226 -3.138 -4.676) 5.763 7.472 ( -1.683 -10.362 1.091) 10.555 8.420 ( -5.228 -3.312 -4.358) 7.569 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 0.920 6.649 -3.581) 7.607 2.445 ( 8.734 14.674 2.181) 17.215 3.173 ( 9.501 5.074 0.312) 10.775 3.231 ( 2.676 5.975 -6.784) 9.427 4.069 ( -0.329 0.090 1.545) 1.582 4.349 ( -0.530 7.701 6.306) 9.967 5.964 ( 7.367 8.703 2.886) 11.762 6.169 ( -1.324 1.538 -1.176) 2.345 6.482 ( 2.988 2.353 -1.252) 4.004 6.891 ( 1.445 -5.368 -3.912) 6.798 7.344 ( -2.904 -8.679 0.763) 9.184 8.272 ( -7.216 -2.109 -3.147) 8.150 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 2.697 5.453 -1.724) 6.323 2.739 ( 7.886 15.064 2.462) 17.180 3.296 ( 1.998 4.120 -4.348) 6.314 3.425 ( 13.403 4.771 2.820) 14.504 4.041 ( 0.633 -5.631 2.242) 6.094 4.386 ( -5.692 6.582 -0.115) 8.703 6.143 ( 2.278 4.271 2.632) 5.510 6.192 ( 3.393 5.636 -1.398) 6.725 6.551 ( 1.831 2.789 -1.798) 3.789 6.862 ( 2.910 -4.128 -3.268) 6.016 7.216 ( -3.957 -6.181 0.516) 7.357 8.140 ( -5.375 -1.676 -1.114) 5.740 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 2.342 4.031 -0.610) 4.702 2.994 ( 4.353 14.369 2.260) 15.183 3.339 ( -0.366 3.463 -1.398) 3.752 3.711 ( 12.700 4.954 2.754) 13.907 4.023 ( 4.921 -7.664 3.412) 9.725 4.275 ( -11.239 1.964 -5.071) 12.486 6.192 ( 1.447 3.337 -1.839) 4.075 6.322 ( 3.895 4.128 2.799) 6.328 6.549 ( -2.428 -0.921 -1.773) 3.145 6.912 ( 4.355 2.614 -2.544) 5.680 7.108 ( -3.596 -2.511 0.542) 4.419 8.054 ( -2.064 -3.163 0.207) 3.782 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 0.616 2.233 -0.283) 2.334 3.162 ( -0.835 11.843 1.748) 12.001 3.337 ( -2.421 1.608 1.024) 3.081 3.876 ( 2.044 2.529 -0.319) 3.268 4.045 ( -13.892 -0.582 -6.667) 15.420 4.143 ( 14.644 -5.009 5.025) 16.272 6.250 ( 2.074 2.993 -1.958) 4.134 6.405 ( 0.250 2.087 1.966) 2.878 6.478 ( -0.791 -3.444 -0.208) 3.540 6.986 ( -1.701 6.912 -1.692) 7.317 7.070 ( 0.438 0.138 0.538) 0.707 8.006 ( 0.792 -4.916 0.285) 4.987 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -1.420 0.692 -0.201) 1.592 3.142 ( -11.031 3.358 1.462) 11.623 3.351 ( 0.973 3.140 1.502) 3.614 3.790 ( -12.150 -1.227 -3.606) 12.733 3.911 ( 0.570 1.927 -1.003) 2.246 4.339 ( 9.970 -2.569 1.995) 10.487 6.270 ( -3.498 1.152 -0.039) 3.683 6.354 ( -2.669 -0.346 -0.894) 2.835 6.528 ( 5.992 -0.975 0.907) 6.138 7.000 ( -3.030 6.948 -1.124) 7.663 7.080 ( -0.232 -0.843 0.521) 1.018 7.996 ( 3.284 -3.793 0.135) 5.019 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -3.356 0.003 -0.314) 3.371 2.921 ( -16.118 -1.339 0.885) 16.197 3.380 ( 0.472 -2.032 -0.446) 2.133 3.614 ( -10.020 4.806 1.248) 11.183 3.951 ( 2.767 1.305 0.610) 3.119 4.407 ( 0.773 -2.571 -1.420) 3.037 6.172 ( -7.494 0.243 1.187) 7.591 6.321 ( -2.289 0.161 -1.036) 2.517 6.607 ( 2.903 -0.757 -0.706) 3.082 7.015 ( -0.556 3.658 -2.305) 4.360 7.066 ( 1.842 -3.297 1.639) 4.117 8.048 ( 5.009 -0.129 0.086) 5.012 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -5.719 0.508 -1.309) 5.889 2.609 ( -18.548 -2.515 0.086) 18.718 3.316 ( -2.010 -6.444 -1.274) 6.869 3.537 ( -8.981 7.822 2.160) 12.104 4.041 ( 5.685 1.412 3.123) 6.638 4.315 ( -7.719 -1.761 -2.120) 8.196 6.051 ( -7.792 0.147 2.084) 8.068 6.267 ( -3.807 0.699 -1.448) 4.133 6.575 ( -3.875 -2.411 -1.205) 4.720 7.073 ( 5.033 1.965 -4.542) 7.059 7.098 ( 6.136 -4.807 3.531) 8.557 8.147 ( 5.377 2.170 -1.053) 5.894 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -10.374 2.323 -3.668) 11.246 2.278 ( -18.167 -1.041 -0.773) 18.213 3.208 ( -3.386 -5.576 -0.102) 6.524 3.424 ( -12.481 5.117 -3.382) 13.907 4.092 ( -9.030 1.966 -0.534) 9.257 4.231 ( 4.864 1.268 7.755) 9.241 5.925 ( -7.985 -0.392 2.632) 8.416 6.217 ( -2.297 1.012 -1.241) 2.800 6.470 ( -4.653 -2.193 -1.115) 5.263 7.133 ( 3.422 -0.180 -1.686) 3.819 7.229 ( 11.915 -4.152 0.808) 12.644 8.244 ( 4.388 1.779 -3.713) 6.017 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -0.000 10.404 -2.544) 10.711 2.181 ( -0.000 4.999 -5.965) 7.783 3.016 ( 0.000 3.384 0.754) 3.467 3.169 ( -0.000 8.381 -8.330) 11.816 4.088 ( 0.000 1.441 3.521) 3.804 4.354 ( 0.000 11.802 9.549) 15.181 5.802 ( 0.000 8.765 2.301) 9.062 6.205 ( 0.000 1.683 0.398) 1.730 6.419 ( -0.000 0.590 -1.526) 1.636 6.866 ( -0.000 -4.571 -3.376) 5.682 7.392 ( -0.000 -9.092 -0.214) 9.094 8.419 ( -0.000 -3.303 -3.889) 5.102 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -1.314 3.737 -5.208) 6.544 2.375 ( 11.076 7.603 -3.119) 13.792 3.090 ( 4.629 3.223 0.995) 5.727 3.233 ( 1.814 5.825 -4.838) 7.787 4.064 ( -0.935 -4.872 3.818) 6.260 4.510 ( -1.890 15.094 6.143) 16.405 5.939 ( 5.555 7.697 2.730) 9.877 6.217 ( -1.654 3.576 -0.597) 3.985 6.444 ( 2.600 1.431 -1.548) 3.347 6.810 ( 0.532 -6.069 -2.328) 6.522 7.300 ( -1.287 -7.387 -0.823) 7.543 8.341 ( -4.301 -2.395 -2.891) 5.709 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 2.598 3.301 -2.619) 4.951 2.662 ( 14.689 7.911 -1.695) 16.770 3.226 ( 7.762 2.389 -1.160) 8.204 3.317 ( 4.284 3.400 0.953) 5.551 4.007 ( -1.248 -5.094 3.188) 6.137 4.580 ( -6.459 10.441 1.339) 12.350 6.125 ( 6.741 5.513 3.002) 9.212 6.222 ( -1.558 4.972 -2.058) 5.602 6.518 ( 4.025 2.173 -1.251) 4.742 6.760 ( 1.935 -6.231 -1.520) 6.699 7.206 ( -2.097 -5.338 -0.910) 5.807 8.227 ( -6.216 -1.201 -1.338) 6.470 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 3.427 2.742 -0.714) 4.446 2.975 ( 12.500 8.624 -0.501) 15.194 3.340 ( 3.341 2.867 -3.583) 5.676 3.492 ( 13.877 -0.571 6.246) 15.228 3.949 ( -0.946 -4.515 2.016) 5.035 4.500 ( -11.802 5.369 -2.499) 13.205 6.215 ( -0.164 3.977 -1.526) 4.263 6.296 ( 3.853 3.006 2.293) 5.398 6.566 ( -0.360 0.177 -1.694) 1.741 6.796 ( 8.397 -1.585 -0.601) 8.566 7.129 ( -2.087 -2.609 -0.657) 3.405 8.110 ( -6.101 -0.989 -0.084) 6.182 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 2.093 1.403 -0.088) 2.521 3.208 ( 6.514 6.254 0.016) 9.030 3.377 ( -0.681 0.898 -0.808) 1.387 3.778 ( 17.754 -0.328 3.736) 18.146 3.907 ( 1.083 -4.440 0.784) 4.637 4.297 ( -15.303 2.930 -3.133) 15.893 6.251 ( 0.780 3.849 -1.937) 4.379 6.365 ( 3.266 -1.650 2.768) 4.588 6.518 ( -3.975 -0.312 -1.144) 4.148 6.957 ( 8.829 1.849 -0.352) 9.027 7.086 ( -1.479 0.014 -0.250) 1.500 8.007 ( -4.494 -1.627 0.200) 4.783 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.200 0.090 0.000) 0.219 3.311 ( -5.640 2.077 0.087) 6.011 3.320 ( 2.409 -3.713 -0.089) 4.427 3.881 ( -0.400 -0.150 0.000) 0.427 4.065 ( -11.858 2.995 0.057) 12.231 4.084 ( 14.571 -1.650 -0.055) 14.665 6.295 ( 0.971 1.933 0.118) 2.167 6.411 ( 2.588 -3.157 -0.716) 4.144 6.439 ( -3.159 1.354 0.606) 3.490 7.066 ( -0.079 0.952 -0.211) 0.979 7.072 ( 1.319 -0.301 0.203) 1.369 7.950 ( -0.517 -0.244 0.000) 0.572 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -1.483 -0.399 -0.031) 1.537 3.127 ( -11.417 -5.313 -0.199) 12.594 3.329 ( 0.910 -4.312 -0.791) 4.477 3.849 ( -7.558 5.497 2.244) 9.611 3.951 ( -2.870 2.097 3.775) 5.185 4.277 ( 9.800 -2.850 -4.674) 11.225 6.292 ( -4.802 0.033 2.121) 5.250 6.347 ( -1.783 0.396 -1.538) 2.388 6.510 ( 5.989 -0.462 -1.006) 6.090 7.018 ( -2.351 -6.280 0.606) 6.733 7.068 ( -1.252 0.876 -0.707) 1.683 7.995 ( 3.439 3.722 0.121) 5.069 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -3.050 0.312 -0.646) 3.133 2.848 ( -14.567 -6.023 -0.858) 15.786 3.275 ( -0.793 -5.918 -0.259) 5.976 3.780 ( -9.493 7.546 3.630) 12.659 3.989 ( 3.191 0.889 5.891) 6.758 4.324 ( 1.784 -3.039 -6.901) 7.749 6.183 ( -7.361 -0.768 1.754) 7.606 6.327 ( -2.293 1.178 -1.176) 2.834 6.569 ( 1.426 -1.742 -1.650) 2.791 6.933 ( 2.803 -8.009 0.837) 8.526 7.059 ( 0.175 -0.165 -1.465) 1.485 8.110 ( 3.970 5.848 -0.113) 7.069 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -5.238 2.011 -2.755) 6.251 2.540 ( -15.621 -3.845 -1.483) 16.156 3.198 ( -1.823 -5.145 0.452) 5.477 3.673 ( -11.848 5.339 -1.007) 13.034 4.101 ( 5.535 1.207 8.763) 10.435 4.268 ( -2.747 -1.113 -3.825) 4.839 6.048 ( -7.454 -2.602 2.295) 8.222 6.284 ( -3.894 2.289 -1.753) 4.845 6.517 ( -3.538 -1.758 -1.036) 4.084 6.982 ( 10.175 -7.444 1.524) 12.699 7.069 ( 2.677 -0.625 -3.307) 4.300 8.219 ( 2.429 5.349 -1.382) 6.035 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -0.000 -0.541 -6.752) 6.773 2.306 ( -0.000 6.103 -2.825) 6.725 3.087 ( 0.000 2.979 1.213) 3.217 3.254 ( -0.000 4.067 -2.416) 4.730 4.035 ( 0.000 -5.164 4.055) 6.565 4.690 ( 0.000 13.623 4.326) 14.293 5.962 ( 0.000 5.869 2.424) 6.350 6.278 ( -0.000 5.725 -0.472) 5.745 6.428 ( -0.000 1.408 -1.821) 2.302 6.738 ( -0.000 -7.009 -0.967) 7.075 7.244 ( -0.000 -5.515 -1.615) 5.747 8.347 ( -0.000 -2.084 -2.168) 3.007 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 1.734 0.821 -3.138) 3.678 2.461 ( 12.364 3.789 -2.449) 13.162 3.149 ( 4.032 2.037 0.687) 4.569 3.297 ( 1.887 2.241 0.272) 2.942 3.992 ( -0.968 -4.064 3.101) 5.203 4.774 ( -4.276 8.807 1.058) 9.847 6.066 ( 5.656 3.658 1.632) 6.931 6.309 ( -2.707 6.241 -1.366) 6.939 6.471 ( 3.372 2.204 -0.596) 4.073 6.671 ( 0.696 -7.392 -0.219) 7.428 7.186 ( -1.107 -3.443 -1.643) 3.973 8.295 ( -3.523 -1.095 -1.017) 3.827 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 3.985 1.452 -0.436) 4.264 2.752 ( 18.240 3.096 -1.567) 18.568 3.255 ( 6.680 1.059 -1.615) 6.953 3.365 ( 4.248 0.058 4.507) 6.194 3.946 ( -1.581 -2.627 1.706) 3.508 4.720 ( -9.125 3.851 -1.785) 10.064 6.198 ( 5.795 1.130 0.210) 5.908 6.316 ( -2.042 4.480 -0.527) 4.951 6.554 ( 2.544 2.087 -0.260) 3.301 6.644 ( 5.135 -4.777 0.407) 7.025 7.135 ( -1.539 -1.286 -1.165) 2.320 8.208 ( -5.800 -0.284 -0.062) 5.807 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 3.426 0.373 0.312) 3.461 3.059 ( 14.700 0.371 -1.555) 14.787 3.359 ( 4.150 1.622 -3.788) 5.848 3.491 ( 12.030 -3.241 6.892) 14.238 3.905 ( -1.485 -0.785 0.356) 1.717 4.551 ( -12.609 1.171 -1.894) 12.804 6.267 ( 2.143 1.408 -2.085) 3.304 6.316 ( -0.180 -1.814 2.209) 2.864 6.567 ( -1.413 0.996 -0.227) 1.743 6.784 ( 11.577 0.268 0.720) 11.602 7.106 ( -1.221 0.371 -0.502) 1.372 8.100 ( -6.746 -0.059 0.109) 6.747 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 1.905 -1.086 0.258) 2.208 3.192 ( 6.253 -7.482 -1.601) 9.881 3.382 ( -1.654 0.280 -0.325) 1.708 3.736 ( 17.292 -3.762 -0.504) 17.704 3.900 ( 0.981 2.626 -0.050) 2.803 4.341 ( -13.266 1.661 1.607) 13.466 6.295 ( 0.265 -1.807 2.448) 3.055 6.314 ( 3.695 -1.335 -2.478) 4.645 6.534 ( -4.129 1.994 0.536) 4.616 6.970 ( 8.944 -0.467 0.954) 9.007 7.088 ( -1.591 -0.053 -0.033) 1.593 8.002 ( -4.648 1.260 -0.301) 4.825 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 0.613 -1.778 0.244) 1.896 3.135 ( -0.352 -12.902 -1.068) 12.951 3.324 ( -3.794 -1.341 -0.265) 4.033 3.872 ( 4.183 -1.554 -0.606) 4.503 4.040 ( 11.058 0.939 -5.428) 12.354 4.173 ( -10.718 3.647 6.470) 13.040 6.296 ( 1.924 -3.591 2.638) 4.854 6.352 ( 2.109 -1.261 -3.117) 3.969 6.492 ( -3.157 3.607 0.977) 4.892 7.014 ( -3.109 -5.623 1.100) 6.518 7.062 ( 1.183 -0.650 -0.165) 1.360 8.000 ( 1.137 4.917 -0.318) 5.057 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -0.381 -1.123 0.204) 1.204 2.945 ( -6.866 -12.204 -0.439) 14.010 3.247 ( -2.242 -3.548 -0.298) 4.208 3.914 ( 1.526 0.692 0.462) 1.738 4.060 ( -6.899 2.732 7.891) 10.831 4.192 ( 6.507 -0.553 -7.688) 10.087 6.261 ( -3.221 -4.819 0.667) 5.834 6.349 ( 0.437 0.457 -0.489) 0.799 6.524 ( 2.082 2.427 -0.259) 3.208 6.870 ( -4.582 -7.932 0.501) 9.174 7.054 ( -0.560 -1.482 -0.291) 1.611 8.109 ( 3.958 6.918 0.029) 7.970 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -1.817 0.528 -0.941) 2.113 2.696 ( -10.059 -8.526 -0.884) 13.216 3.181 ( -1.439 -3.915 0.447) 4.195 3.892 ( -8.124 4.256 -3.752) 9.909 4.056 ( 3.373 -1.514 12.634) 13.164 4.234 ( 2.286 -0.320 -7.241) 7.600 6.126 ( -5.960 -6.119 0.933) 8.593 6.358 ( -1.577 2.878 -1.252) 3.512 6.551 ( -1.529 0.636 -0.261) 1.676 6.782 ( 4.066 -7.260 0.417) 8.331 7.030 ( 0.071 -1.442 -1.114) 1.824 8.234 ( 2.822 6.271 -0.203) 6.880 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -0.000 0.648 -1.261) 1.418 2.379 ( -0.000 2.678 -0.575) 2.739 3.131 ( 0.000 0.871 0.313) 0.926 3.300 ( 0.000 1.163 1.488) 1.889 3.976 ( 0.000 -2.819 2.205) 3.579 4.875 ( -0.000 4.136 -1.254) 4.322 6.041 ( 0.000 1.308 0.200) 1.323 6.411 ( -0.000 8.063 -0.682) 8.092 6.449 ( -0.000 1.301 -0.198) 1.316 6.591 ( 0.000 -7.942 0.732) 7.975 7.168 ( -0.000 -1.289 -1.624) 2.073 8.315 ( -0.000 -0.438 -0.233) 0.496 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 2.519 1.747 1.448) 3.391 2.503 ( 12.158 1.254 0.498) 12.232 3.165 ( 3.793 -0.467 -0.592) 3.868 3.330 ( 1.871 0.228 3.519) 3.992 3.952 ( -0.918 -1.395 0.924) 1.908 4.843 ( -4.534 -0.917 -3.644) 5.889 6.092 ( 5.586 -0.962 -1.127) 5.779 6.401 ( -3.757 1.571 0.385) 4.091 6.527 ( 2.901 -1.819 -0.040) 3.424 6.550 ( 2.359 1.703 1.390) 3.224 7.151 ( -1.072 0.707 -1.175) 1.741 8.287 ( -3.353 0.404 0.464) 3.409 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 3.035 0.208 1.765) 3.517 2.767 ( 17.171 -1.484 -0.076) 17.235 3.243 ( 7.020 -0.768 -2.517) 7.497 3.384 ( 3.222 -1.337 6.265) 7.171 3.927 ( -1.347 0.356 -0.301) 1.426 4.700 ( -7.593 -4.077 -3.816) 9.425 6.173 ( 6.043 -3.016 -2.186) 7.099 6.340 ( -2.647 -2.895 1.784) 4.309 6.555 ( 3.706 -1.114 0.013) 3.870 6.661 ( 4.576 5.463 1.984) 7.397 7.140 ( -1.629 2.183 -0.699) 2.812 8.214 ( -6.138 0.773 0.544) 6.210 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 2.487 -2.009 1.125) 3.390 2.957 ( 10.852 -9.632 -2.249) 14.683 3.368 ( 5.338 1.432 -3.333) 6.454 3.460 ( 9.487 -3.879 5.475) 11.620 3.924 ( -0.404 2.944 -0.771) 3.070 4.515 ( -8.257 -4.170 -0.728) 9.279 6.207 ( 3.580 -4.947 -2.346) 6.542 6.292 ( -0.016 -2.641 1.890) 3.247 6.593 ( 0.212 0.722 1.087) 1.322 6.823 ( 8.309 3.198 2.239) 9.181 7.130 ( -2.293 2.440 -0.541) 3.392 8.112 ( -6.760 1.345 0.085) 6.893 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 1.977 -3.403 0.706) 3.998 2.950 ( 4.886 -15.154 -2.203) 16.074 3.365 ( -2.622 -2.527 1.215) 3.839 3.655 ( 14.036 -3.676 -2.992) 14.815 3.974 ( 1.963 5.304 -1.914) 5.971 4.358 ( -7.285 -2.099 3.800) 8.480 6.203 ( 3.259 -5.477 -1.339) 6.513 6.296 ( 2.245 -2.232 0.766) 3.257 6.584 ( -2.723 1.260 1.744) 3.470 6.965 ( 4.590 -0.442 2.973) 5.486 7.093 ( -4.216 1.309 -1.185) 4.571 8.050 ( -2.465 3.733 -0.213) 4.479 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 1.970 -3.087 1.006) 3.798 2.845 ( 1.380 -16.042 -0.165) 16.102 3.274 ( -4.189 -3.436 -0.068) 5.418 3.799 ( 9.528 -5.289 -0.809) 10.928 4.054 ( 2.632 4.463 -8.078) 9.596 4.259 ( -5.542 0.384 7.260) 9.142 6.199 ( 2.618 -6.255 -1.542) 6.954 6.316 ( 2.405 -2.061 1.022) 3.328 6.554 ( -1.902 0.523 1.602) 2.541 6.932 ( -7.381 -1.556 1.033) 7.614 7.050 ( -0.779 -0.336 0.234) 0.880 8.109 ( 3.155 5.991 0.075) 6.771 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 0.000 3.670 4.366) 5.704 2.402 ( 0.000 -0.828 1.857) 2.034 3.121 ( -0.000 -1.694 -0.749) 1.852 3.327 ( 0.000 -0.080 4.681) 4.681 3.954 ( -0.000 -0.062 -0.203) 0.212 4.829 ( -0.000 -6.426 -6.109) 8.867 6.018 ( -0.000 -2.872 -2.124) 3.572 6.423 ( 0.000 -7.776 0.691) 7.806 6.467 ( 0.000 -0.109 1.536) 1.540 6.596 ( 0.000 8.845 1.100) 8.913 7.174 ( -0.000 2.641 -0.918) 2.796 8.327 ( 0.000 1.411 1.001) 1.730 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -0.384 1.191 4.128) 4.314 2.505 ( 11.709 -2.507 1.904) 12.125 3.130 ( 3.860 -2.291 -1.206) 4.648 3.354 ( 1.548 -0.869 6.647) 6.880 3.952 ( -0.713 1.679 -1.273) 2.224 4.699 ( -2.763 -10.449 -6.875) 12.809 6.024 ( 5.415 -4.654 -2.584) 7.593 6.335 ( -1.624 -6.641 1.325) 6.964 6.487 ( 2.399 -1.013 0.998) 2.789 6.699 ( 1.205 8.533 2.470) 8.965 7.194 ( -1.267 4.187 -0.753) 4.439 8.316 ( -3.846 2.042 1.049) 4.480 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 0.729 -2.396 2.706) 3.687 2.662 ( 11.714 -9.557 -1.627) 15.205 3.212 ( 8.784 -0.918 -1.632) 8.982 3.390 ( 1.573 -2.535 7.617) 8.181 3.962 ( -0.569 4.079 -1.496) 4.382 4.522 ( -2.758 -11.482 -4.680) 12.702 6.066 ( 6.015 -6.123 -3.023) 9.100 6.263 ( -0.512 -5.164 2.144) 5.615 6.536 ( 4.364 -1.597 0.632) 4.690 6.813 ( 2.033 7.670 3.876) 8.831 7.206 ( -2.501 5.071 -1.003) 5.743 8.247 ( -6.888 2.258 0.721) 7.285 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 1.544 -4.876 1.497) 5.330 2.682 ( 7.574 -16.446 -3.388) 18.421 3.360 ( 4.482 -1.424 -0.046) 4.703 3.405 ( 6.994 -4.705 3.031) 8.958 4.008 ( 0.418 6.202 -1.250) 6.341 4.378 ( -1.134 -9.500 -0.950) 9.615 6.079 ( 4.243 -6.369 -3.332) 8.346 6.237 ( 1.610 -3.821 2.619) 4.905 6.580 ( 2.497 -2.992 1.112) 4.052 6.937 ( 2.918 5.972 4.616) 8.092 7.194 ( -4.506 4.977 -1.864) 6.968 8.157 ( -6.224 3.139 0.660) 7.002 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 3.112 -5.438 1.659) 6.481 2.615 ( 5.868 -17.819 -1.231) 18.801 3.303 ( -3.523 -4.603 1.522) 5.993 3.553 ( 11.895 -5.643 -1.226) 13.222 4.071 ( 0.343 6.139 -3.507) 7.079 4.297 ( -0.018 -5.775 1.680) 6.014 6.075 ( 3.837 -6.408 -3.057) 8.070 6.250 ( 2.732 -3.047 2.301) 4.695 6.562 ( -0.412 -4.377 1.494) 4.643 7.029 ( -0.179 4.425 5.036) 6.706 7.128 ( -7.639 3.768 -2.998) 9.030 8.137 ( -0.646 4.794 1.148) 4.971 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 0.000 1.199 4.750) 4.899 2.355 ( 0.000 -5.861 2.162) 6.247 3.068 ( -0.000 -2.893 -0.697) 2.976 3.354 ( 0.000 -1.517 8.489) 8.624 3.977 ( -0.000 3.492 -2.037) 4.043 4.566 ( -0.000 -15.605 -8.743) 17.888 5.916 ( -0.000 -5.940 -2.313) 6.374 6.285 ( 0.000 -6.350 0.358) 6.360 6.460 ( 0.000 -1.445 1.565) 2.130 6.782 ( 0.000 8.570 3.405) 9.222 7.252 ( -0.000 5.793 -0.793) 5.847 8.379 ( 0.000 3.166 1.051) 3.336 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -2.206 -4.272 3.163) 5.755 2.397 ( 7.923 -9.754 -0.893) 12.599 3.080 ( 4.792 -2.274 0.021) 5.304 3.369 ( 0.932 -3.220 9.241) 9.830 4.011 ( -0.300 5.385 -1.525) 5.605 4.376 ( 0.379 -17.479 -8.045) 19.245 5.894 ( 5.057 -7.096 -1.917) 8.922 6.228 ( -0.438 -4.400 0.686) 4.475 6.466 ( 2.094 -1.711 0.729) 2.800 6.879 ( 0.804 7.478 4.767) 8.905 7.297 ( -1.676 6.969 -1.160) 7.261 8.376 ( -4.513 3.638 0.703) 5.839 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -0.357 -6.921 1.827) 7.167 2.379 ( 7.214 -17.252 -4.360) 19.201 3.178 ( 9.016 -2.760 0.854) 9.467 3.365 ( 0.127 -5.221 6.790) 8.567 4.057 ( 0.487 3.022 0.587) 3.117 4.229 ( 2.793 -12.148 -6.298) 13.966 5.914 ( 6.055 -7.640 -2.145) 9.982 6.197 ( 0.269 -2.445 1.698) 2.989 6.495 ( 3.318 -2.748 0.176) 4.312 6.982 ( 1.548 6.341 5.618) 8.612 7.319 ( -3.695 7.584 -2.053) 8.682 8.311 ( -7.348 3.920 0.886) 8.375 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 2.527 -9.306 1.085) 9.704 2.316 ( 7.793 -18.518 -2.374) 20.231 3.306 ( 4.399 -5.502 3.447) 7.843 3.310 ( 4.137 -6.496 1.409) 7.830 4.071 ( 4.484 -7.825 1.245) 9.104 4.210 ( 1.318 2.533 -5.855) 6.514 5.928 ( 5.040 -7.234 -2.616) 9.196 6.198 ( 1.232 -1.454 2.080) 2.821 6.505 ( 1.640 -4.793 0.542) 5.095 7.081 ( 1.329 5.037 5.129) 7.310 7.300 ( -6.646 7.689 -3.045) 10.609 8.241 ( -5.627 4.601 2.282) 7.619 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -0.000 -12.422 -0.617) 12.438 2.239 ( -0.000 -8.209 0.157) 8.211 3.017 ( 0.000 -2.230 0.906) 2.407 3.345 ( 0.000 -6.577 9.315) 11.403 4.047 ( -0.000 -3.057 -0.374) 3.080 4.180 ( -0.000 -10.149 -8.526) 13.255 5.774 ( -0.000 -7.571 -0.581) 7.594 6.200 ( -0.000 -2.183 -0.041) 2.183 6.436 ( 0.000 -1.499 0.291) 1.527 6.953 ( 0.000 5.937 5.735) 8.255 7.382 ( -0.000 8.375 -1.352) 8.483 8.457 ( 0.000 4.499 0.047) 4.499 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 3.166 -13.448 -0.688) 13.833 2.118 ( -0.483 -15.764 -4.331) 16.355 3.040 ( 4.501 -2.851 2.264) 5.789 3.299 ( 1.921 -10.703 6.230) 12.532 3.908 ( 2.881 -20.453 -3.083) 20.884 4.201 ( -0.106 9.644 -2.029) 9.856 5.741 ( 4.566 -7.834 0.079) 9.068 6.189 ( -0.178 0.186 0.442) 0.512 6.435 ( 1.405 -1.442 -0.525) 2.080 7.029 ( 1.042 4.200 6.403) 7.728 7.445 ( -2.231 9.297 -1.882) 9.745 8.460 ( -4.748 4.784 -0.163) 6.743 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 2.135 -19.534 -5.023) 20.282 2.024 ( 5.958 -14.235 0.110) 15.432 3.101 ( 7.446 -8.091 4.937) 12.053 3.249 ( 2.231 -9.635 1.775) 10.048 3.798 ( 7.869 -18.265 -2.440) 20.037 4.286 ( -1.298 10.571 -1.770) 10.796 5.757 ( 5.841 -7.533 -0.471) 9.544 6.197 ( -0.361 1.559 1.149) 1.970 6.441 ( 1.386 -2.539 -0.622) 2.959 7.108 ( 1.930 2.955 5.459) 6.501 7.471 ( -4.838 9.603 -2.521) 11.045 8.406 ( -6.991 4.991 1.411) 8.704 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -0.000 -18.179 -4.521) 18.732 1.971 ( -0.000 -17.612 -4.551) 18.190 2.993 ( 0.000 -1.408 2.311) 2.707 3.123 ( 0.000 -22.718 2.686) 22.877 3.687 ( -0.000 -17.654 -1.447) 17.713 4.309 ( 0.000 11.692 1.182) 11.751 5.630 ( 0.000 -7.531 1.756) 7.733 6.206 ( 0.000 2.693 0.196) 2.700 6.414 ( -0.000 -0.367 -1.199) 1.254 7.070 ( 0.000 1.901 7.222) 7.468 7.554 ( -0.000 10.337 -1.928) 10.515 8.547 ( -0.000 5.074 -1.369) 5.256 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.425 -22.709 -7.833) 24.026 1.803 ( 3.882 -17.650 -2.523) 18.247 2.893 ( 4.182 -24.478 3.376) 25.061 3.058 ( 6.941 -6.037 -0.285) 9.203 3.549 ( 1.988 -14.157 -0.264) 14.298 4.417 ( -1.327 11.275 1.542) 11.457 5.603 ( 4.054 -6.988 1.879) 8.294 6.238 ( -0.572 4.173 0.653) 4.262 6.411 ( 0.233 -0.242 -1.533) 1.569 7.113 ( 1.354 0.378 6.805) 6.948 7.627 ( -2.788 10.605 -2.143) 11.173 8.553 ( -4.272 4.995 -0.889) 6.633 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.000 -21.904 -7.564) 23.173 1.534 ( -0.000 -23.191 -7.597) 24.404 2.526 ( -0.000 -37.409 -0.149) 37.410 2.985 ( 0.000 -1.059 2.434) 2.655 3.416 ( -0.000 -11.914 0.288) 11.918 4.543 ( 0.000 10.496 2.911) 10.892 5.512 ( 0.000 -6.250 3.185) 7.014 6.293 ( 0.000 5.418 0.679) 5.460 6.411 ( -0.000 1.092 -1.960) 2.244 7.118 ( 0.000 -1.361 7.714) 7.833 7.749 ( -0.000 10.874 -1.912) 11.040 8.630 ( -0.000 4.574 -2.420) 5.175 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 0.000 -0.000 24.144) 24.144 0.461 ( 0.000 -0.000 24.144) 24.144 0.767 ( 0.000 -0.000 40.731) 40.731 2.942 ( -0.000 0.000 -2.379) 2.379 2.942 ( -0.000 0.000 -2.379) 2.379 5.301 ( -0.000 0.000 -11.166) 11.166 5.325 ( -0.000 0.000 -2.078) 2.078 5.325 ( -0.000 0.000 -2.078) 2.078 6.489 ( 0.000 -0.000 1.399) 1.399 6.489 ( 0.000 -0.000 1.399) 1.399 8.202 ( 0.000 -0.000 5.067) 5.067 8.762 ( -0.000 0.000 -1.544) 1.544 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 10.233 5.908 15.972) 19.868 0.704 ( 9.294 5.366 22.426) 24.861 1.275 ( 28.313 16.347 22.197) 39.516 2.953 ( 1.110 0.641 -2.099) 2.459 2.990 ( 5.465 3.155 -2.810) 6.908 4.831 ( -6.731 -3.886 -2.717) 8.234 5.369 ( 3.350 1.934 -1.380) 4.107 6.402 ( 28.507 16.458 -30.670) 44.991 6.464 ( -1.960 -1.132 1.092) 2.514 6.502 ( 4.893 2.825 -6.316) 8.475 8.164 ( -4.873 -2.813 5.637) 7.964 8.707 ( -3.984 -2.300 -1.448) 4.823 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 16.183 9.344 7.282) 20.056 1.018 ( 13.549 7.822 12.501) 20.026 1.958 ( 27.500 15.877 6.400) 32.393 2.978 ( 1.581 0.913 -1.689) 2.487 3.176 ( 11.575 6.683 1.015) 13.405 4.712 ( -4.035 -2.330 -3.997) 6.139 5.463 ( 5.342 3.084 -0.673) 6.205 6.414 ( -2.617 -1.511 0.705) 3.103 6.423 ( -3.944 -2.277 0.953) 4.653 6.844 ( 15.585 8.998 -20.122) 26.995 8.031 ( -8.369 -4.832 6.223) 11.494 8.577 ( -6.899 -3.983 -4.610) 9.204 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 17.393 10.042 2.590) 20.250 1.360 ( 14.670 8.470 3.454) 17.288 2.504 ( 21.466 12.394 -5.174) 25.322 3.012 ( 1.865 1.077 -1.150) 2.442 3.500 ( 15.670 9.047 6.811) 19.333 4.619 ( -3.536 -2.041 -1.111) 4.231 5.597 ( 6.619 3.822 0.172) 7.645 6.322 ( -4.824 -2.785 0.588) 5.601 6.362 ( -1.992 -1.150 0.117) 2.304 7.067 ( 8.582 4.955 -9.625) 13.815 7.840 ( -10.521 -6.075 6.441) 13.751 8.387 ( -7.700 -4.446 -8.016) 11.971 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 13.663 7.888 -2.718) 16.009 1.703 ( 16.229 9.370 -0.137) 18.740 2.903 ( 16.908 9.762 -8.196) 21.174 3.052 ( 1.858 1.073 -0.503) 2.203 3.859 ( 13.468 7.776 7.131) 17.108 4.548 ( -3.187 -1.840 3.337) 4.968 5.747 ( 6.348 3.665 1.288) 7.442 6.235 ( -2.700 -1.559 0.390) 3.142 6.337 ( 0.055 0.032 -0.776) 0.779 7.152 ( 1.126 0.650 -6.086) 6.223 7.594 ( -13.337 -7.700 4.631) 16.081 8.238 ( -2.570 -1.484 -7.217) 7.803 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 11.080 6.397 -5.488) 13.922 2.032 ( 13.387 7.729 -1.691) 15.550 3.089 ( 1.426 0.823 0.169) 1.655 3.222 ( 14.003 8.084 -7.289) 17.736 4.108 ( 7.254 4.188 3.882) 9.232 4.492 ( -3.608 -2.083 7.509) 8.587 5.872 ( 4.116 2.376 2.357) 5.305 6.217 ( 1.110 0.641 -0.277) 1.312 6.365 ( 2.799 1.616 -1.673) 3.639 7.101 ( -3.259 -1.881 -5.732) 6.857 7.285 ( -14.696 -8.485 2.166) 17.108 8.231 ( 2.627 1.517 -3.177) 4.392 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 7.661 4.423 -5.479) 10.406 2.281 ( 9.381 5.416 -2.292) 11.072 3.113 ( 0.556 0.321 0.683) 0.937 3.478 ( 10.993 6.347 -8.479) 15.265 4.207 ( 0.791 0.457 -0.476) 1.030 4.433 ( -3.760 -2.171 12.349) 13.090 5.941 ( 1.518 0.876 2.591) 3.128 6.278 ( 4.434 2.560 -1.222) 5.264 6.438 ( 3.820 2.206 -1.835) 4.777 6.951 ( -10.750 -6.207 -4.664) 13.260 7.046 ( -4.263 -2.461 2.335) 5.448 8.296 ( 3.095 1.787 -1.268) 3.792 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 4.498 2.597 -3.760) 6.412 2.430 ( 4.497 2.596 -1.939) 5.543 3.116 ( -0.466 -0.269 0.747) 0.921 3.656 ( 7.899 4.560 -12.529) 15.497 4.123 ( -6.826 -3.941 -2.628) 8.309 4.432 ( -0.958 -0.553 15.567) 15.606 5.961 ( -0.332 -0.192 2.066) 2.101 6.399 ( 6.238 3.601 -0.785) 7.245 6.504 ( 2.152 1.242 -1.377) 2.841 6.714 ( -8.445 -4.876 -2.310) 10.021 7.019 ( 0.475 0.274 2.445) 2.506 8.345 ( 1.495 0.863 -0.941) 1.966 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 1.704 0.984 -0.938) 2.180 2.463 ( -1.238 -0.715 -0.602) 1.551 3.099 ( -1.081 -0.624 0.100) 1.252 3.736 ( 1.914 1.105 -16.174) 16.324 3.971 ( -4.119 -2.378 0.735) 4.813 4.431 ( -3.807 -2.198 12.712) 13.450 5.941 ( -1.916 -1.106 1.165) 2.500 6.437 ( -5.242 -3.027 0.502) 6.074 6.518 ( -0.555 -0.320 -0.701) 0.949 6.673 ( 7.541 4.354 -2.898) 9.177 7.073 ( 3.322 1.918 3.770) 5.378 8.359 ( 0.228 0.132 -0.325) 0.418 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -2.692 -1.554 2.430) 3.946 2.368 ( -7.388 -4.266 1.326) 8.634 3.072 ( -1.124 -0.649 -0.975) 1.623 3.626 ( -6.633 -3.829 -6.632) 10.131 3.996 ( 5.411 3.124 -5.248) 8.160 4.315 ( -9.729 -5.617 7.427) 13.467 5.882 ( -3.554 -2.052 -0.045) 4.104 6.298 ( -5.795 -3.346 -0.383) 6.703 6.482 ( -2.374 -1.371 0.135) 2.745 6.882 ( 10.208 5.894 -3.486) 12.292 7.184 ( 5.550 3.204 4.000) 7.554 8.368 ( 0.772 0.446 1.704) 1.924 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -12.845 -7.416 3.215) 15.176 2.191 ( -9.587 -5.535 5.058) 12.170 3.044 ( -1.061 -0.612 -1.803) 2.180 3.440 ( -9.679 -5.588 0.075) 11.177 4.041 ( -15.768 -9.104 2.048) 18.322 4.139 ( 8.771 5.064 -6.707) 12.147 5.782 ( -5.146 -2.971 -1.442) 6.114 6.205 ( -2.014 -1.163 -0.561) 2.392 6.429 ( -2.218 -1.280 1.048) 2.767 7.060 ( 6.510 3.758 -5.573) 9.357 7.342 ( 7.685 4.437 2.973) 9.359 8.418 ( 2.996 1.730 4.172) 5.420 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -16.808 -9.704 5.112) 20.070 1.920 ( -16.107 -9.300 6.540) 19.716 3.014 ( -1.042 -0.601 -2.228) 2.532 3.128 ( -20.543 -11.861 1.470) 23.767 3.685 ( -14.480 -8.360 -0.915) 16.745 4.336 ( 10.137 5.853 -4.539) 12.555 5.650 ( -5.985 -3.455 -2.602) 7.384 6.210 ( 2.412 1.393 -0.575) 2.844 6.400 ( -0.619 -0.357 1.718) 1.861 7.133 ( 1.920 1.108 -6.449) 6.819 7.537 ( 9.028 5.212 1.675) 10.558 8.520 ( 4.593 2.652 4.489) 6.948 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 19.975 14.441) 24.648 0.842 ( 0.000 16.308 17.809) 24.148 1.270 ( 0.000 24.088 27.549) 36.594 2.917 ( -0.000 -0.038 -3.350) 3.351 3.008 ( -0.000 7.287 -2.624) 7.745 4.818 ( -0.000 -9.563 -3.117) 10.058 5.309 ( -0.000 1.321 -2.854) 3.145 6.323 ( -0.000 40.855 -34.032) 53.173 6.465 ( 0.000 -2.780 0.877) 2.915 6.496 ( 0.000 -0.903 1.808) 2.021 8.179 ( 0.000 -6.049 5.988) 8.512 8.723 ( -0.000 -2.000 -2.107) 2.905 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.210 22.388 9.608) 24.364 1.053 ( 3.106 16.296 17.001) 23.753 1.777 ( 18.467 23.984 11.438) 32.359 2.946 ( 3.412 0.962 -2.481) 4.327 3.110 ( 4.436 9.362 -0.906) 10.399 4.708 ( -1.938 -5.669 -4.904) 7.742 5.382 ( 6.106 2.053 -2.024) 6.752 6.421 ( -1.550 -3.996 0.525) 4.318 6.469 ( -2.273 -1.114 1.544) 2.965 6.659 ( 11.807 19.052 -23.402) 32.404 8.091 ( -4.099 -8.414 6.217) 11.237 8.645 ( -5.602 -2.593 -3.688) 7.191 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 5.776 18.518 10.675) 22.141 1.338 ( 6.494 17.545 5.300) 19.445 2.305 ( 17.746 18.760 -3.151) 26.015 3.008 ( 1.798 3.423 -1.929) 4.321 3.360 ( 13.214 10.011 5.170) 17.365 4.618 ( -1.363 -4.751 -3.232) 5.906 5.519 ( 7.193 3.973 -0.990) 8.277 6.342 ( -2.737 -4.897 0.137) 5.612 6.414 ( -3.395 -0.328 1.139) 3.596 6.925 ( 10.641 8.523 -12.805) 18.704 7.931 ( -6.801 -9.434 6.406) 13.278 8.472 ( -9.191 -3.308 -6.423) 11.690 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 8.120 14.132 6.095) 17.401 1.638 ( 9.011 17.211 -0.695) 19.440 2.720 ( 15.599 14.510 -8.222) 22.836 3.059 ( 0.587 4.426 -1.663) 4.765 3.722 ( 14.868 8.971 7.380) 18.868 4.552 ( -0.643 -4.557 0.515) 4.631 5.685 ( 7.016 5.627 0.145) 8.995 6.250 ( -2.481 -4.093 -0.081) 4.787 6.370 ( -2.525 1.446 0.424) 2.941 7.084 ( 5.555 1.740 -7.604) 9.577 7.723 ( -9.634 -9.725 5.814) 14.872 8.275 ( -7.077 -2.226 -7.346) 10.440 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 8.235 10.355 -1.639) 13.332 1.955 ( 9.285 15.748 0.178) 18.282 3.065 ( 12.116 10.815 -6.733) 17.581 3.107 ( 1.500 5.886 -1.283) 6.208 4.022 ( 9.915 5.131 4.583) 12.068 4.508 ( -0.403 -4.765 4.503) 6.568 5.849 ( 4.973 6.287 1.501) 8.155 6.198 ( 0.171 -1.967 -0.600) 2.064 6.367 ( -0.433 3.262 -0.499) 3.328 7.095 ( -0.551 -2.467 -6.490) 6.965 7.449 ( -13.540 -9.183 3.084) 16.648 8.192 ( 0.657 -0.327 -3.797) 3.867 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 7.111 7.234 -3.956) 10.887 2.233 ( 6.814 13.718 -0.687) 15.333 3.132 ( -0.437 3.281 -0.116) 3.312 3.364 ( 10.031 10.998 -6.696) 16.322 4.175 ( 3.931 1.020 1.260) 4.252 4.467 ( -0.900 -5.388 8.087) 9.760 5.968 ( 1.164 6.154 2.520) 6.751 6.218 ( 3.597 0.146 -1.485) 3.894 6.415 ( 1.918 4.144 -1.178) 4.716 7.005 ( -4.171 -4.088 -6.885) 9.029 7.156 ( -11.726 -5.836 3.353) 13.521 8.232 ( 4.304 -0.457 -1.161) 4.482 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 4.997 4.498 -3.967) 7.806 2.434 ( 2.777 11.529 -1.237) 11.923 3.144 ( -1.430 2.315 0.686) 2.806 3.569 ( 6.058 8.556 -9.583) 14.203 4.163 ( -3.607 -3.661 -3.246) 6.079 4.457 ( 1.485 -3.610 13.662) 14.209 6.022 ( -2.292 5.707 2.418) 6.608 6.306 ( 6.342 1.309 -1.501) 6.647 6.489 ( 2.433 3.769 -1.098) 4.619 6.812 ( -9.485 -5.105 -3.931) 11.466 7.035 ( -1.878 -0.513 2.813) 3.421 8.291 ( 3.869 -1.694 -0.801) 4.299 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 2.935 1.892 -2.797) 4.474 2.534 ( -2.390 8.873 -0.669) 9.214 3.134 ( -2.252 1.604 0.742) 2.863 3.673 ( 2.670 5.176 -13.971) 15.137 4.019 ( -5.465 -4.997 -1.609) 7.578 4.491 ( -0.394 -2.541 13.826) 14.063 6.020 ( -4.586 4.640 1.724) 6.748 6.415 ( 4.551 -1.143 -0.084) 4.693 6.544 ( -0.979 1.679 -0.706) 2.068 6.647 ( -2.296 1.372 -2.982) 4.006 7.052 ( 1.934 1.075 3.211) 3.899 8.319 ( 2.593 -2.868 -0.826) 3.954 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 0.537 -1.243 -0.895) 1.623 2.512 ( -8.426 4.757 1.255) 9.757 3.111 ( -2.517 2.138 -0.077) 3.304 3.650 ( -3.029 -0.799 -12.887) 13.262 3.947 ( 1.202 -0.035 -0.911) 1.509 4.443 ( -6.859 -3.676 10.292) 12.903 5.970 ( -6.179 2.826 0.882) 6.852 6.360 ( -5.408 -4.039 -0.237) 6.754 6.509 ( -1.826 0.187 -0.427) 1.884 6.777 ( 8.502 7.173 -2.890) 11.493 7.131 ( 4.649 1.563 3.567) 6.065 8.329 ( 2.611 -3.134 0.216) 4.085 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -4.152 -4.277 0.752) 6.008 2.349 ( -13.950 -1.295 3.773) 14.510 3.091 ( -3.060 3.518 -1.159) 4.804 3.520 ( -5.942 -3.462 -5.529) 8.824 4.029 ( 6.774 3.333 -4.064) 8.574 4.241 ( -14.771 -5.986 5.853) 16.979 5.876 ( -7.368 0.920 -0.071) 7.426 6.241 ( -4.198 -2.006 -0.662) 4.700 6.469 ( -3.006 0.215 0.422) 3.043 6.970 ( 7.587 5.572 -4.890) 10.608 7.257 ( 7.173 1.963 3.209) 8.099 8.363 ( 4.425 -2.183 2.121) 5.371 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -18.076 -6.152 5.065) 19.754 2.086 ( -10.577 -6.614 2.610) 12.745 3.061 ( -4.072 3.200 -2.354) 5.688 3.334 ( -11.987 -4.864 -1.340) 13.005 3.887 ( -19.046 -7.389 1.306) 20.470 4.203 ( 9.908 4.633 -2.562) 11.233 5.746 ( -8.190 -0.126 -1.091) 8.264 6.195 ( 0.031 0.232 -0.665) 0.705 6.427 ( -2.312 0.338 1.105) 2.584 7.088 ( 3.528 2.922 -6.203) 7.711 7.426 ( 9.339 2.609 2.230) 9.949 8.447 ( 6.337 -1.071 2.706) 6.974 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.000 22.400 9.185) 24.210 1.259 ( 0.000 17.390 10.837) 20.491 1.931 ( 0.000 30.595 11.372) 32.640 2.903 ( -0.000 0.803 -3.375) 3.469 3.179 ( -0.000 11.364 -0.807) 11.392 4.646 ( -0.000 -6.761 -4.517) 8.131 5.347 ( -0.000 4.439 -2.207) 4.958 6.391 ( 0.000 -5.047 0.354) 5.060 6.479 ( 0.000 -1.843 1.469) 2.357 6.689 ( -0.000 18.102 -18.741) 26.056 8.048 ( 0.000 -11.012 5.859) 12.473 8.659 ( -0.000 -2.699 -4.471) 5.222 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 1.048 19.556 5.871) 20.445 1.488 ( 0.636 19.256 9.798) 21.615 2.302 ( 6.804 26.191 -1.141) 27.084 2.965 ( 5.786 2.457 -2.353) 6.712 3.330 ( 4.751 12.847 3.201) 14.066 4.566 ( -0.333 -6.355 -2.950) 7.014 5.445 ( 5.810 5.661 -1.214) 8.202 6.328 ( -1.485 -5.370 0.350) 5.582 6.451 ( -1.491 -1.368 1.040) 2.275 6.838 ( 5.787 10.596 -12.208) 17.170 7.926 ( -3.032 -12.105 5.460) 13.621 8.560 ( -6.320 -3.043 -5.924) 9.182 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 1.987 15.683 0.880) 15.833 1.717 ( 3.612 20.208 8.857) 22.358 2.640 ( 9.749 19.540 -8.090) 23.287 3.073 ( 3.262 4.535 -3.228) 6.452 3.614 ( 11.445 12.332 6.852) 18.166 4.500 ( 0.295 -6.174 0.019) 6.181 5.622 ( 7.693 7.174 -0.067) 10.519 6.247 ( -2.241 -4.632 0.092) 5.147 6.421 ( -1.660 0.536 0.463) 1.805 6.980 ( 6.057 3.193 -7.604) 10.233 7.757 ( -5.123 -11.952 5.197) 14.004 8.375 ( -9.321 -2.505 -6.946) 11.892 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 3.227 12.129 -0.574) 12.565 2.015 ( 5.649 19.949 4.977) 21.322 2.967 ( 11.564 15.596 -6.901) 20.605 3.146 ( 1.200 5.630 -2.633) 6.330 3.921 ( 10.177 7.876 3.992) 13.473 4.457 ( 0.986 -6.264 3.250) 7.126 5.825 ( 6.973 8.424 1.087) 10.990 6.179 ( -1.097 -2.875 -0.496) 3.117 6.415 ( -1.026 3.039 -0.189) 3.213 7.035 ( 2.326 -2.275 -6.237) 7.034 7.551 ( -8.404 -10.743 3.945) 14.199 8.206 ( -5.189 -1.193 -5.028) 7.323 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 4.344 9.235 -1.722) 10.350 2.303 ( 4.634 18.838 2.901) 19.616 3.171 ( 0.865 5.157 -2.388) 5.748 3.309 ( 9.324 13.947 -4.041) 17.257 4.110 ( 5.816 2.331 1.022) 6.349 4.422 ( 0.654 -7.092 4.954) 8.676 6.008 ( 4.010 8.632 2.419) 9.821 6.163 ( 1.832 -0.687 -1.730) 2.612 6.443 ( -0.065 4.705 -0.665) 4.752 6.989 ( -1.201 -4.031 -6.165) 7.463 7.301 ( -11.218 -7.622 2.408) 13.774 8.161 ( 1.751 -1.514 -1.501) 2.759 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 3.697 6.571 -2.112) 7.830 2.539 ( 1.786 17.269 1.401) 17.418 3.203 ( -1.407 4.061 -0.136) 4.300 3.552 ( 5.516 12.102 -6.273) 14.705 4.161 ( -0.734 -2.000 -2.568) 3.336 4.392 ( 3.507 -7.475 8.862) 12.112 6.123 ( -0.197 6.841 2.549) 7.303 6.222 ( 4.694 2.511 -2.056) 5.706 6.493 ( 1.018 3.901 -0.577) 4.073 6.885 ( -5.396 -3.399 -5.521) 8.435 7.099 ( -6.382 -2.606 2.903) 7.480 8.192 ( 4.273 -3.227 -0.329) 5.365 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 2.048 3.917 -2.150) 4.915 2.695 ( -2.508 15.120 0.845) 15.350 3.204 ( -2.783 3.182 1.076) 4.362 3.675 ( 0.528 8.364 -10.329) 13.301 4.045 ( -5.112 -5.842 -3.526) 8.526 4.457 ( 5.505 -4.467 11.730) 13.706 6.158 ( -3.577 5.848 1.309) 6.979 6.328 ( 4.963 2.177 -0.706) 5.465 6.545 ( 1.999 1.430 -0.082) 2.459 6.736 ( -7.236 0.916 -3.220) 7.973 7.053 ( -0.155 0.559 2.382) 2.451 8.222 ( 3.954 -4.918 -0.569) 6.336 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 0.202 1.113 -1.703) 2.045 2.736 ( -8.550 10.591 1.728) 13.721 3.189 ( -2.944 3.777 1.134) 4.921 3.664 ( -3.560 1.915 -13.080) 13.691 3.934 ( -0.992 -2.626 -0.306) 2.824 4.505 ( -0.208 -3.414 9.701) 10.286 6.122 ( -6.694 4.006 0.933) 7.856 6.375 ( -0.374 -2.647 -0.340) 2.695 6.556 ( -1.897 1.727 0.044) 2.565 6.731 ( 3.275 7.252 -2.676) 8.395 7.090 ( 2.545 0.913 2.540) 3.710 8.230 ( 3.738 -5.700 -0.442) 6.831 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -2.241 -1.718 -0.915) 2.969 2.613 ( -14.840 3.172 3.262) 15.521 3.192 ( -3.134 6.437 0.402) 7.170 3.549 ( -4.462 -2.840 -8.720) 10.199 3.958 ( 3.880 1.823 -1.266) 4.470 4.420 ( -9.069 -3.946 6.194) 11.670 6.026 ( -8.175 1.787 1.027) 8.431 6.294 ( -4.458 -2.301 -1.053) 5.126 6.539 ( -3.412 2.819 0.306) 4.437 6.889 ( 7.148 6.551 -4.200) 10.566 7.170 ( 5.370 0.337 2.847) 6.087 8.249 ( 5.129 -5.027 0.482) 7.198 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -6.372 -4.244 -0.008) 7.656 2.340 ( -18.993 -2.103 3.975) 19.518 3.187 ( -5.605 6.641 -1.147) 8.766 3.418 ( -5.207 -4.067 -4.606) 8.054 4.071 ( 4.521 2.457 -2.523) 5.730 4.176 ( -14.323 -3.291 5.184) 15.583 5.899 ( -8.958 1.031 1.017) 9.074 6.211 ( -2.642 -0.618 -1.393) 3.050 6.494 ( -4.303 1.597 0.392) 4.607 7.034 ( 5.061 4.498 -5.640) 8.813 7.297 ( 8.491 0.287 2.739) 8.927 8.313 ( 7.152 -3.734 0.622) 8.092 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.000 16.200 4.182) 16.731 1.692 ( 0.000 19.048 4.816) 19.648 2.524 ( -0.000 27.052 -4.181) 27.374 2.912 ( -0.000 1.915 -2.111) 2.850 3.443 ( 0.000 15.450 4.863) 16.198 4.498 ( -0.000 -6.730 -0.832) 6.782 5.455 ( -0.000 7.594 -0.444) 7.607 6.292 ( 0.000 -5.117 0.739) 5.170 6.448 ( 0.000 -1.829 0.475) 1.890 6.853 ( -0.000 8.128 -9.148) 12.237 7.841 ( 0.000 -13.280 4.328) 13.968 8.566 ( -0.000 -3.297 -6.417) 7.214 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 1.199 14.671 -1.066) 14.758 1.887 ( 1.917 16.750 5.388) 17.700 2.729 ( 0.755 20.463 -8.099) 22.020 3.006 ( 6.952 3.492 -3.485) 8.525 3.654 ( 3.714 17.242 7.418) 19.133 4.437 ( 0.149 -6.540 1.987) 6.837 5.584 ( 5.499 8.718 0.625) 10.326 6.237 ( -1.406 -4.078 0.658) 4.364 6.433 ( -0.005 -0.784 -0.131) 0.795 6.914 ( 2.908 3.073 -6.084) 7.410 7.707 ( -2.056 -13.054 3.485) 13.667 8.462 ( -5.999 -2.935 -6.814) 9.541 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 1.228 10.770 -3.117) 11.279 2.137 ( 5.400 17.989 5.530) 19.579 2.948 ( 6.926 16.385 -5.660) 18.668 3.129 ( 4.975 3.675 -4.615) 7.718 3.902 ( 4.799 13.186 4.100) 14.619 4.394 ( 0.672 -5.750 4.667) 7.436 5.790 ( 7.676 9.529 1.474) 12.325 6.177 ( -1.800 -2.410 0.056) 3.009 6.440 ( 0.718 1.486 -0.694) 1.790 6.953 ( 2.620 -1.969 -4.662) 5.699 7.549 ( -3.639 -11.852 2.897) 12.732 8.295 ( -7.995 -1.685 -5.785) 10.011 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 2.797 8.697 -2.017) 9.355 2.423 ( 5.440 18.498 4.466) 19.792 3.181 ( 3.800 7.835 -4.574) 9.836 3.269 ( 9.509 10.065 -1.283) 13.906 4.061 ( 3.284 4.518 0.129) 5.586 4.369 ( -0.175 -4.456 4.647) 6.441 6.012 ( 6.677 9.476 2.250) 11.808 6.141 ( -0.462 -0.493 -0.993) 1.201 6.479 ( 0.998 3.761 -1.114) 4.047 6.934 ( 0.845 -4.243 -4.560) 6.286 7.372 ( -6.144 -9.491 1.881) 11.462 8.161 ( -4.242 -1.097 -2.768) 5.183 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 2.994 6.915 -1.067) 7.611 2.686 ( 3.161 18.076 3.443) 18.671 3.253 ( 0.463 4.741 -1.830) 5.103 3.548 ( 8.815 12.016 -1.517) 14.980 4.127 ( 3.220 -0.871 -0.246) 3.345 4.305 ( -2.106 -6.872 2.379) 7.571 6.144 ( 1.431 1.305 -0.126) 1.941 6.204 ( 4.535 8.151 0.947) 9.376 6.522 ( -0.113 3.340 -1.034) 3.498 6.891 ( -0.365 -1.865 -4.405) 4.797 7.188 ( -7.000 -5.356 1.503) 8.941 8.113 ( 0.703 -2.729 -0.360) 2.841 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 1.651 4.784 -0.845) 5.131 2.888 ( -0.481 16.759 2.695) 16.981 3.282 ( -1.814 3.877 0.454) 4.305 3.735 ( 1.345 10.224 -5.168) 11.535 4.077 ( -6.813 -3.810 -5.313) 9.443 4.294 ( 9.731 -7.950 8.222) 15.016 6.195 ( 2.626 2.032 -0.946) 3.453 6.331 ( 1.338 6.313 1.081) 6.543 6.527 ( -0.001 -0.765 -0.064) 0.767 6.856 ( -4.178 4.077 -3.354) 6.732 7.079 ( -2.340 -1.013 1.632) 3.028 8.109 ( 2.891 -5.149 0.022) 5.905 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -0.268 2.491 -0.873) 2.653 2.990 ( -6.509 12.906 2.598) 14.687 3.279 ( -2.554 3.852 1.978) 5.027 3.746 ( -6.905 4.979 -10.513) 13.528 3.923 ( -2.100 -4.220 -0.944) 4.807 4.425 ( 8.266 -4.875 7.049) 11.907 6.235 ( -1.615 2.370 -0.156) 2.872 6.359 ( -1.084 0.263 -0.573) 1.254 6.548 ( 3.329 -0.521 1.114) 3.549 6.827 ( -4.770 8.953 -2.086) 10.357 7.079 ( 0.765 0.709 1.240) 1.620 8.105 ( 3.584 -6.496 -0.197) 7.421 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -2.262 0.365 -0.816) 2.432 2.906 ( -14.092 4.329 2.940) 15.032 3.309 ( -1.534 7.283 2.460) 7.839 3.593 ( -7.549 -1.410 -8.072) 11.142 3.920 ( 2.148 1.083 -0.430) 2.444 4.475 ( 0.195 -4.148 3.677) 5.547 6.170 ( -7.025 0.698 1.198) 7.161 6.327 ( -1.990 -1.413 -1.409) 2.818 6.601 ( 0.957 1.541 0.340) 1.845 6.872 ( 0.667 8.708 -2.834) 9.182 7.110 ( 2.480 -0.511 1.616) 3.004 8.113 ( 4.730 -5.653 0.030) 7.371 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -4.776 -1.288 -0.904) 5.029 2.652 ( -18.410 -1.100 2.978) 18.681 3.350 ( -3.634 7.341 1.377) 8.306 3.442 ( -5.959 -2.619 -4.419) 7.867 4.000 ( 5.201 2.864 0.332) 5.947 4.367 ( -9.046 -3.859 1.386) 9.931 6.053 ( -7.875 0.337 2.248) 8.197 6.258 ( -3.945 -0.468 -1.968) 4.434 6.587 ( -4.040 1.122 -0.471) 4.219 6.980 ( 4.573 5.597 -4.730) 8.638 7.174 ( 6.124 -1.794 2.598) 6.890 8.161 ( 6.292 -3.539 -0.202) 7.221 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -0.000 13.520 -1.190) 13.572 2.003 ( -0.000 11.787 -2.234) 11.997 2.895 ( -0.000 17.175 -10.965) 20.377 2.954 ( 0.000 3.105 -0.026) 3.105 3.834 ( 0.000 19.450 7.916) 20.999 4.386 ( 0.000 -5.737 4.980) 7.597 5.627 ( 0.000 9.573 1.584) 9.703 6.219 ( 0.000 -2.645 0.888) 2.790 6.419 ( -0.000 -0.991 -0.873) 1.320 6.897 ( -0.000 0.746 -4.108) 4.175 7.606 ( 0.000 -12.733 1.867) 12.869 8.463 ( -0.000 -2.994 -6.703) 7.341 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -1.103 8.979 -4.717) 10.202 2.177 ( 7.847 11.899 -1.399) 14.322 2.997 ( 2.504 10.375 -1.847) 10.831 3.062 ( 4.668 6.416 -6.165) 10.048 4.023 ( -0.354 13.575 4.344) 14.257 4.367 ( 0.065 -1.340 7.609) 7.727 5.775 ( 5.442 9.718 2.238) 11.361 6.191 ( -1.508 -0.844 0.360) 1.765 6.422 ( 1.558 0.251 -1.335) 2.067 6.889 ( 1.069 -2.545 -2.711) 3.869 7.481 ( -1.349 -11.442 0.820) 11.550 8.373 ( -5.034 -2.161 -5.774) 7.959 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 1.919 6.829 -3.507) 7.913 2.455 ( 10.601 12.982 -0.014) 16.761 3.167 ( 5.758 3.152 -3.369) 7.378 3.189 ( 7.039 10.401 -0.497) 12.569 4.085 ( -1.114 1.336 1.801) 2.504 4.402 ( -2.102 5.388 5.277) 7.829 5.988 ( 7.575 9.213 2.397) 12.166 6.160 ( -1.847 0.861 -0.619) 2.130 6.469 ( 2.944 2.195 -1.483) 3.960 6.863 ( 1.023 -4.773 -2.191) 5.351 7.349 ( -2.466 -9.615 0.215) 9.929 8.241 ( -6.575 -0.936 -3.564) 7.537 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 3.339 5.791 -1.380) 6.826 2.756 ( 9.071 13.866 1.045) 16.603 3.261 ( 3.062 4.281 -3.216) 6.168 3.452 ( 12.869 6.803 3.100) 14.883 4.063 ( 0.452 -4.563 2.383) 5.168 4.382 ( -7.443 4.158 -0.830) 8.566 6.149 ( -0.582 2.075 -0.983) 2.369 6.197 ( 6.155 7.684 2.082) 10.063 6.535 ( 1.770 2.579 -1.626) 3.526 6.838 ( 2.407 -3.186 -1.958) 4.447 7.218 ( -3.524 -6.818 -0.034) 7.675 8.129 ( -4.680 -0.991 -1.055) 4.899 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 2.471 4.261 -0.406) 4.943 3.012 ( 4.957 13.490 1.634) 14.465 3.328 ( 0.866 3.703 -1.058) 3.947 3.732 ( 10.199 6.576 1.852) 12.276 4.056 ( 6.115 -7.725 3.859) 10.581 4.228 ( -12.115 0.700 -4.947) 13.105 6.176 ( 1.364 2.940 -1.491) 3.568 6.346 ( 3.785 4.633 2.347) 6.426 6.535 ( -2.015 -1.113 -1.308) 2.648 6.892 ( 3.860 3.587 -1.781) 5.562 7.112 ( -3.065 -3.001 0.294) 4.300 8.056 ( -1.871 -2.979 0.144) 3.521 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 0.540 2.418 -0.227) 2.488 3.178 ( -0.498 10.899 1.742) 11.049 3.347 ( -1.491 1.735 1.181) 2.575 3.869 ( 0.577 4.622 -1.280) 4.831 3.986 ( -13.886 0.155 -5.857) 15.072 4.188 ( 14.630 -7.214 4.729) 16.984 6.236 ( 2.411 3.033 -1.003) 4.002 6.414 ( -2.178 2.000 -0.034) 2.957 6.481 ( 1.485 -3.418 0.999) 3.858 6.971 ( -1.560 7.607 -1.379) 7.887 7.075 ( 0.412 -0.230 0.516) 0.700 8.008 ( 0.692 -4.878 0.180) 4.930 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -1.523 0.865 -0.269) 1.772 3.158 ( -10.622 2.519 1.843) 11.072 3.365 ( 1.150 1.754 1.448) 2.548 3.760 ( -12.745 3.706 -2.823) 13.569 3.904 ( 1.033 2.025 -0.484) 2.324 4.351 ( 9.647 -5.362 0.643) 11.055 6.275 ( -2.718 1.863 1.113) 3.478 6.341 ( -2.935 -0.592 -1.887) 3.540 6.535 ( 5.382 -1.633 0.500) 5.647 6.990 ( -3.576 7.333 -1.146) 8.239 7.084 ( 0.216 -1.039 0.352) 1.118 7.997 ( 3.279 -3.715 0.228) 4.961 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -3.594 0.007 -0.565) 3.638 2.933 ( -15.907 -2.509 1.655) 16.189 3.374 ( -0.070 -3.295 -0.866) 3.408 3.630 ( -10.071 8.459 2.306) 13.352 3.960 ( 3.125 2.723 1.239) 4.326 4.388 ( 1.167 -5.057 -2.717) 5.858 6.186 ( -7.204 0.333 1.914) 7.461 6.308 ( -2.423 0.390 -1.573) 2.916 6.598 ( 2.713 -1.364 -1.318) 3.310 6.991 ( -1.619 3.997 -2.796) 5.139 7.080 ( 2.616 -3.365 1.511) 4.522 8.049 ( 4.787 -0.225 0.161) 4.795 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -0.000 4.000 -7.872) 8.830 2.139 ( -0.000 10.106 -3.504) 10.696 3.025 ( 0.000 3.653 1.361) 3.899 3.105 ( -0.000 10.620 -5.450) 11.937 4.122 ( 0.000 1.635 3.599) 3.953 4.437 ( 0.000 10.374 8.384) 13.338 5.825 ( 0.000 8.990 2.742) 9.399 6.208 ( 0.000 1.324 0.206) 1.340 6.403 ( -0.000 0.332 -1.913) 1.942 6.845 ( -0.000 -4.079 -1.107) 4.227 7.387 ( -0.000 -9.940 -0.843) 9.976 8.377 ( -0.000 -2.043 -4.991) 5.392 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -0.092 4.089 -5.151) 6.577 2.341 ( 11.899 7.568 -4.117) 14.690 3.099 ( 4.140 3.228 0.955) 5.335 3.203 ( 2.475 7.862 -1.619) 8.400 4.100 ( -1.304 -4.369 3.982) 6.053 4.558 ( -2.824 12.731 4.214) 13.704 5.963 ( 5.571 7.628 2.508) 9.773 6.211 ( -2.072 3.061 -0.680) 3.758 6.430 ( 2.828 1.574 -1.624) 3.621 6.799 ( 0.300 -5.632 -0.173) 5.643 7.288 ( -1.008 -7.950 -1.683) 8.188 8.313 ( -3.999 -1.163 -3.304) 5.316 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 3.490 4.027 -1.972) 5.682 2.640 ( 15.781 7.675 -2.908) 17.788 3.213 ( 5.424 2.790 -1.434) 6.266 3.342 ( 7.036 4.508 3.989) 9.260 4.038 ( -1.634 -5.379 3.640) 6.697 4.582 ( -7.815 9.030 -0.818) 11.970 6.148 ( 6.942 4.899 2.038) 8.737 6.206 ( -1.739 4.992 -1.521) 5.501 6.506 ( 3.739 2.519 -1.217) 4.670 6.754 ( 1.698 -5.718 0.336) 5.974 7.194 ( -1.680 -5.597 -1.725) 6.093 8.214 ( -5.778 -0.349 -1.294) 5.932 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 3.688 3.130 -0.345) 4.850 2.964 ( 13.596 8.081 -1.941) 15.935 3.313 ( 3.978 2.593 -2.350) 5.299 3.553 ( 13.155 0.475 7.057) 14.936 3.970 ( -1.212 -5.503 2.677) 6.239 4.469 ( -12.793 5.571 -4.149) 14.557 6.201 ( -0.628 3.732 -1.433) 4.046 6.317 ( 4.678 3.076 2.090) 5.977 6.551 ( -0.552 0.455 -1.569) 1.725 6.796 ( 7.906 -1.055 0.543) 7.994 7.120 ( -1.659 -2.650 -1.132) 3.325 8.110 ( -5.865 -0.721 -0.059) 5.910 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 2.074 1.541 0.025) 2.584 3.204 ( 7.336 5.591 -0.839) 9.262 3.368 ( 0.585 0.851 -1.062) 1.481 3.815 ( 14.637 -0.268 4.196) 15.229 3.918 ( 2.087 -6.603 1.692) 7.129 4.265 ( -15.391 5.226 -3.719) 16.674 6.237 ( 1.015 3.989 -1.100) 4.260 6.389 ( 3.161 -2.165 2.279) 4.458 6.507 ( -3.951 0.316 -1.366) 4.192 6.957 ( 8.455 2.361 0.187) 8.780 7.083 ( -1.172 0.050 -0.364) 1.228 8.009 ( -4.479 -1.763 0.089) 4.814 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.147 0.164 0.000) 0.220 3.312 ( -1.573 2.964 0.066) 3.356 3.320 ( -0.906 -5.885 -0.067) 5.954 3.881 ( -0.277 -0.284 0.000) 0.396 4.066 ( -4.245 2.660 0.037) 5.010 4.083 ( 6.310 -0.251 -0.036) 6.315 6.296 ( 1.607 3.089 0.076) 3.483 6.405 ( -0.674 -3.722 -0.346) 3.799 6.444 ( -0.667 0.887 0.275) 1.144 7.065 ( 0.501 1.137 -0.090) 1.246 7.074 ( 0.464 0.018 0.085) 0.472 7.950 ( -0.386 -0.441 0.000) 0.586 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -1.641 -0.340 -0.152) 1.683 3.128 ( -11.316 -6.170 0.477) 12.898 3.324 ( 0.896 -4.261 -0.259) 4.361 3.864 ( -4.864 4.191 1.188) 6.530 3.992 ( -4.597 6.496 5.024) 9.411 4.229 ( 9.322 -5.335 -5.751) 12.184 6.310 ( -6.298 -0.198 0.809) 6.352 6.334 ( -0.124 1.098 -0.358) 1.162 6.501 ( 5.382 -0.891 -0.971) 5.541 7.020 ( -2.540 -6.059 -0.155) 6.572 7.063 ( -1.448 0.999 -0.389) 1.801 7.997 ( 3.563 3.597 0.240) 5.069 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -0.000 1.211 -5.624) 5.753 2.282 ( -0.000 6.845 -2.403) 7.254 3.098 ( 0.000 2.695 1.143) 2.928 3.245 ( 0.000 5.477 0.250) 5.483 4.074 ( 0.000 -5.666 4.470) 7.217 4.716 ( 0.000 11.558 1.345) 11.636 5.982 ( 0.000 5.259 1.781) 5.553 6.273 ( -0.000 5.466 -0.680) 5.508 6.413 ( -0.000 1.828 -1.417) 2.313 6.739 ( 0.000 -6.733 1.040) 6.812 7.224 ( -0.000 -5.583 -2.712) 6.207 8.327 ( -0.000 -0.913 -2.166) 2.350 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 2.533 2.468 -1.689) 3.919 2.441 ( 11.949 4.988 -1.875) 13.083 3.153 ( 3.619 1.654 0.250) 3.986 3.313 ( 2.719 3.170 3.145) 5.229 4.024 ( -1.173 -5.064 3.754) 6.412 4.768 ( -4.675 7.292 -2.293) 8.960 6.076 ( 5.759 2.734 0.499) 6.395 6.298 ( -2.970 6.308 -1.061) 7.052 6.467 ( 3.538 2.961 -0.246) 4.620 6.677 ( 0.520 -7.321 1.481) 7.487 7.166 ( -0.898 -3.127 -2.709) 4.233 8.287 ( -3.382 -0.225 -0.704) 3.462 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 4.005 2.332 0.377) 4.650 2.736 ( 17.690 4.029 -1.837) 18.236 3.239 ( 5.322 0.638 -1.657) 5.610 3.420 ( 6.139 0.338 7.223) 9.486 3.964 ( -1.886 -3.801 2.325) 4.839 4.690 ( -9.161 3.486 -4.677) 10.860 6.195 ( 5.372 0.272 -0.922) 5.457 6.315 ( -1.097 5.192 0.210) 5.311 6.550 ( 1.824 2.373 -0.395) 3.019 6.654 ( 5.214 -4.574 1.856) 7.180 7.121 ( -1.212 -0.835 -1.948) 2.442 8.209 ( -5.773 0.087 0.214) 5.778 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 3.171 0.699 0.589) 3.300 3.040 ( 14.700 0.664 -2.547) 14.934 3.326 ( 4.892 0.964 -3.229) 5.940 3.564 ( 10.369 -3.971 8.878) 14.217 3.909 ( -1.745 -1.599 0.620) 2.447 4.525 ( -11.665 2.356 -3.737) 12.473 6.249 ( 2.011 0.980 -1.632) 2.769 6.335 ( 0.312 -1.713 1.939) 2.606 6.563 ( -1.502 1.840 -0.533) 2.434 6.793 ( 11.198 0.439 1.380) 11.292 7.099 ( -0.882 0.693 -0.914) 1.446 8.102 ( -6.910 -0.107 0.186) 6.914 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 1.721 -0.959 0.287) 1.991 3.175 ( 6.732 -7.814 -1.914) 10.491 3.376 ( -0.583 1.138 -1.018) 1.635 3.740 ( 13.988 -6.572 1.354) 15.514 3.901 ( 1.093 2.205 0.195) 2.468 4.351 ( -11.523 3.766 0.576) 12.137 6.290 ( 2.951 -0.014 -2.016) 3.574 6.320 ( 1.009 -3.645 2.426) 4.493 6.537 ( -4.173 2.913 0.041) 5.089 6.980 ( 8.641 0.134 1.085) 8.710 7.087 ( -1.363 -0.152 -0.189) 1.385 8.000 ( -4.757 1.094 -0.285) 4.890 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.000 3.073 0.873) 3.194 2.377 ( 0.000 3.707 0.253) 3.716 3.132 ( 0.000 0.395 0.019) 0.395 3.326 ( 0.000 1.926 4.238) 4.655 4.000 ( 0.000 -4.142 3.024) 5.129 4.846 ( -0.000 2.706 -5.060) 5.739 6.038 ( -0.000 0.369 -0.989) 1.056 6.405 ( -0.000 8.276 -0.731) 8.308 6.451 ( 0.000 2.027 0.672) 2.135 6.603 ( 0.000 -7.929 1.920) 8.158 7.147 ( -0.000 -0.634 -2.748) 2.820 8.315 ( 0.000 0.248 0.251) 0.353 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 1.951 3.154 2.597) 4.527 2.510 ( 11.602 2.245 0.848) 11.848 3.158 ( 3.362 -0.872 -0.886) 3.584 3.377 ( 2.515 0.712 6.747) 7.236 3.964 ( -1.058 -2.763 1.677) 3.401 4.794 ( -4.160 -1.681 -7.064) 8.368 6.078 ( 5.642 -1.667 -1.917) 6.188 6.406 ( -3.697 2.844 0.542) 4.696 6.528 ( 2.623 -1.525 0.266) 3.046 6.567 ( 2.588 1.190 2.288) 3.653 7.136 ( -0.930 1.359 -2.209) 2.755 8.293 ( -3.432 0.731 0.822) 3.604 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 2.283 0.745 2.094) 3.186 2.762 ( 15.860 -1.253 -0.923) 15.936 3.220 ( 5.905 -0.876 -2.280) 6.390 3.456 ( 4.010 -1.624 9.254) 10.216 3.927 ( -1.440 -0.658 0.210) 1.597 4.654 ( -6.207 -3.745 -6.230) 9.559 6.152 ( 6.102 -3.554 -2.176) 7.389 6.356 ( -2.486 -2.346 1.615) 3.780 6.555 ( 3.646 -0.786 0.028) 3.730 6.682 ( 4.520 5.855 2.519) 7.814 7.129 ( -1.400 2.526 -1.535) 3.270 8.220 ( -6.384 0.799 0.632) 6.464 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 1.934 -1.799 1.073) 2.851 2.933 ( 10.642 -9.907 -2.875) 14.821 3.335 ( 7.140 2.116 -3.353) 8.167 3.521 ( 5.315 -5.543 7.485) 10.724 3.919 ( -0.240 2.495 -0.199) 2.514 4.502 ( -6.007 -3.164 -2.244) 7.151 6.186 ( 4.000 -5.346 -2.160) 7.017 6.311 ( -0.299 -2.548 2.036) 3.275 6.600 ( 0.569 1.186 0.409) 1.377 6.846 ( 7.817 4.088 2.682) 9.220 7.122 ( -2.075 2.237 -1.126) 3.252 8.113 ( -7.059 1.367 0.038) 7.191 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.000 4.636 4.536) 6.486 2.421 ( 0.000 -0.317 2.065) 2.089 3.114 ( -0.000 -1.910 -0.797) 2.070 3.386 ( 0.000 0.602 8.129) 8.151 3.956 ( 0.000 -1.460 0.584) 1.572 4.758 ( -0.000 -6.991 -9.189) 11.546 5.997 ( -0.000 -3.164 -2.455) 4.004 6.430 ( 0.000 -7.629 0.714) 7.662 6.482 ( 0.000 0.086 1.701) 1.704 6.609 ( 0.000 9.352 1.639) 9.495 7.160 ( -0.000 3.249 -2.064) 3.849 8.337 ( 0.000 1.515 1.105) 1.875 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -1.117 1.299 3.560) 3.951 2.517 ( 10.656 -2.813 0.850) 11.054 3.119 ( 3.547 -2.089 -0.945) 4.224 3.430 ( 1.592 -0.529 9.887) 10.028 3.944 ( -0.688 0.679 -0.464) 1.072 4.626 ( -1.737 -10.354 -8.941) 13.790 6.001 ( 5.362 -4.673 -2.335) 7.486 6.346 ( -1.130 -6.843 1.130) 7.027 6.496 ( 1.845 -0.872 0.957) 2.254 6.724 ( 1.489 9.406 2.853) 9.941 7.182 ( -1.234 4.535 -1.868) 5.058 8.324 ( -3.966 1.949 0.734) 4.480 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.030 -2.407 2.028) 3.148 2.641 ( 10.664 -10.500 -2.775) 15.221 3.199 ( 7.905 -0.147 -1.087) 7.981 3.467 ( 0.862 -3.313 8.942) 9.575 3.954 ( -0.379 3.865 -0.331) 3.898 4.475 ( -0.723 -11.006 -5.699) 12.415 6.041 ( 5.760 -6.228 -2.194) 8.762 6.281 ( -0.044 -5.136 1.738) 5.422 6.539 ( 4.320 -1.501 0.160) 4.576 6.850 ( 2.053 8.544 4.244) 9.758 7.192 ( -2.506 4.980 -1.960) 5.910 8.251 ( -6.998 2.280 0.140) 7.361 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 0.000 0.193 2.320) 2.328 2.370 ( 0.000 -6.460 1.130) 6.558 3.064 ( -0.000 -2.476 -0.138) 2.479 3.443 ( 0.000 -1.333 10.693) 10.776 3.965 ( -0.000 3.085 -0.627) 3.148 4.481 ( -0.000 -15.279 -9.673) 18.084 5.898 ( -0.000 -5.507 -1.713) 5.767 6.289 ( 0.000 -6.613 0.489) 6.631 6.473 ( 0.000 -1.775 1.087) 2.082 6.815 ( 0.000 9.660 3.717) 10.350 7.239 ( -0.000 6.047 -1.954) 6.355 8.384 ( 0.000 2.900 0.098) 2.902 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -1.991 -4.935 1.399) 5.502 2.380 ( 6.551 -11.281 -2.754) 13.333 3.083 ( 4.721 -1.541 0.683) 5.013 3.453 ( 0.320 -4.077 8.729) 9.640 4.007 ( -0.216 6.155 0.809) 6.212 4.303 ( 1.467 -17.227 -7.587) 18.881 5.880 ( 4.733 -6.551 -1.005) 8.144 6.235 ( 0.077 -4.599 0.750) 4.660 6.470 ( 1.863 -2.066 0.156) 2.787 6.925 ( 0.914 8.390 5.037) 9.829 7.282 ( -1.800 7.026 -2.191) 7.576 8.376 ( -4.382 3.466 -0.752) 5.637 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -0.000 -13.702 -2.142) 13.869 2.227 ( -0.000 -9.720 -2.669) 10.080 3.028 ( 0.000 -1.638 1.531) 2.242 3.415 ( 0.000 -8.293 5.563) 9.985 4.052 ( 0.000 -11.246 0.694) 11.267 4.119 ( -0.000 0.152 -3.510) 3.514 5.774 ( 0.000 -6.763 0.456) 6.778 6.201 ( 0.000 -2.301 0.311) 2.322 6.435 ( -0.000 -2.036 -0.400) 2.075 7.007 ( 0.000 6.752 5.917) 8.978 7.366 ( -0.000 8.457 -2.198) 8.738 8.447 ( -0.000 4.276 -2.190) 4.804 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.000 -0.000 22.124) 22.124 0.673 ( 0.000 -0.000 22.124) 22.124 1.130 ( 0.000 -0.000 38.233) 38.233 2.916 ( -0.000 0.000 -3.306) 3.306 2.916 ( -0.000 0.000 -3.306) 3.306 5.180 ( -0.000 0.000 -14.931) 14.931 5.303 ( -0.000 0.000 -2.594) 2.594 5.303 ( -0.000 0.000 -2.594) 2.594 6.504 ( 0.000 -0.000 1.728) 1.728 6.504 ( 0.000 -0.000 1.728) 1.728 8.257 ( 0.000 -0.000 6.668) 6.668 8.744 ( -0.000 0.000 -2.375) 2.375 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 6.127 3.537 18.106) 19.439 0.916 ( 7.831 4.521 23.073) 24.782 1.477 ( 19.752 11.404 21.627) 31.432 2.930 ( 1.386 0.800 -3.049) 3.444 2.966 ( 6.410 3.701 -2.226) 7.729 4.792 ( -7.882 -4.551 -5.833) 10.810 5.352 ( 3.685 2.127 -2.296) 4.835 6.112 ( 36.499 21.073 -28.044) 50.623 6.477 ( -2.129 -1.229 1.620) 2.944 6.499 ( -1.637 -0.945 1.016) 2.146 8.222 ( -4.879 -2.817 6.862) 8.878 8.688 ( -4.396 -2.538 -2.723) 5.760 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 13.013 7.513 10.789) 18.499 1.163 ( 8.764 5.060 18.535) 21.118 1.995 ( 21.952 12.674 1.456) 25.390 2.958 ( 1.916 1.106 -2.600) 3.414 3.197 ( 13.927 8.041 3.718) 16.506 4.665 ( -3.096 -1.788 -6.127) 7.094 5.451 ( 5.766 3.329 -1.924) 6.930 6.424 ( -2.868 -1.656 1.439) 3.610 6.431 ( -4.207 -2.429 0.700) 4.908 6.660 ( 20.950 12.096 -19.248) 30.914 8.093 ( -8.322 -4.804 7.158) 11.982 8.534 ( -8.252 -4.765 -4.970) 10.747 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 15.367 8.872 5.421) 18.554 1.418 ( 10.338 5.969 8.902) 14.891 2.445 ( 19.598 11.315 -7.544) 23.854 2.998 ( 2.247 1.297 -1.984) 3.266 3.568 ( 16.477 9.513 7.862) 20.586 4.599 ( -1.633 -0.943 -3.158) 3.678 5.592 ( 7.202 4.158 -1.289) 8.415 6.326 ( -4.848 -2.799 0.275) 5.605 6.367 ( -2.392 -1.381 1.051) 2.956 6.973 ( 11.236 6.487 -10.621) 16.767 7.902 ( -10.899 -6.293 7.062) 14.431 8.317 ( -8.337 -4.814 -7.003) 11.905 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 10.994 6.348 1.280) 12.759 1.711 ( 14.934 8.622 1.923) 17.351 2.831 ( 17.256 9.963 -7.451) 21.273 3.044 ( 2.263 1.306 -1.242) 2.893 3.922 ( 12.430 7.177 6.377) 15.706 4.568 ( -1.060 -0.612 0.931) 1.538 5.753 ( 7.100 4.099 -0.159) 8.200 6.238 ( -2.802 -1.618 0.124) 3.238 6.334 ( -0.523 -0.302 0.250) 0.653 7.089 ( 1.880 1.085 -7.527) 7.834 7.634 ( -14.723 -8.500 3.787) 17.417 8.185 ( -1.264 -0.730 -3.933) 4.195 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 9.922 5.728 -2.714) 11.774 2.023 ( 12.621 7.287 -0.281) 14.576 3.087 ( 1.804 1.042 -0.450) 2.131 3.160 ( 13.965 8.063 -6.200) 17.276 4.141 ( 5.948 3.434 3.290) 7.615 4.548 ( -1.621 -0.936 4.731) 5.088 5.890 ( 4.713 2.721 1.384) 5.615 6.214 ( 0.768 0.444 -0.449) 0.994 6.353 ( 2.330 1.345 -0.949) 2.853 7.042 ( -3.286 -1.897 -6.926) 7.897 7.306 ( -14.425 -8.328 2.394) 16.827 8.213 ( 3.281 1.894 -0.755) 3.863 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 7.578 4.375 -4.244) 9.725 2.263 ( 9.076 5.240 -1.527) 10.590 3.117 ( 0.813 0.469 0.266) 0.976 3.403 ( 9.682 5.590 -7.655) 13.550 4.199 ( -1.350 -0.780 -1.396) 2.093 4.538 ( -0.783 -0.452 10.492) 10.530 5.965 ( 1.588 0.917 2.387) 3.010 6.268 ( 4.281 2.472 -0.946) 5.033 6.422 ( 3.799 2.193 -1.694) 4.702 6.899 ( -8.309 -4.797 -6.175) 11.410 7.079 ( -5.552 -3.205 4.187) 7.657 8.288 ( 3.051 1.762 -0.461) 3.553 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 5.227 3.018 -4.108) 7.301 2.412 ( 4.683 2.703 -1.926) 5.740 3.122 ( -0.482 -0.278 0.673) 0.874 3.546 ( 5.868 3.388 -11.355) 13.223 4.095 ( -6.016 -3.473 -3.332) 7.705 4.569 ( -0.763 -0.440 14.253) 14.280 5.982 ( -0.601 -0.347 2.423) 2.521 6.394 ( 6.813 3.933 -0.254) 7.871 6.490 ( 2.376 1.372 -1.637) 3.195 6.687 ( -8.132 -4.695 -3.367) 9.975 7.048 ( 0.621 0.359 3.671) 3.741 8.336 ( 1.473 0.851 -1.008) 1.978 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 3.081 1.779 -2.452) 4.321 2.454 ( -0.542 -0.313 -1.373) 1.509 3.101 ( -1.462 -0.844 0.443) 1.745 3.595 ( 1.895 1.094 -14.417) 14.582 3.971 ( -3.436 -1.984 -0.582) 4.010 4.550 ( -5.342 -3.084 12.914) 14.312 5.955 ( -2.394 -1.382 1.882) 3.344 6.439 ( -5.786 -3.341 -0.090) 6.682 6.509 ( -0.212 -0.122 -1.196) 1.221 6.647 ( 7.984 4.609 -2.572) 9.571 7.107 ( 3.434 1.982 3.587) 5.347 8.355 ( 0.760 0.439 -0.705) 1.126 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -1.151 -0.665 0.213) 1.346 2.375 ( -6.426 -3.710 0.126) 7.421 3.065 ( -1.641 -0.947 -0.476) 1.954 3.543 ( -2.718 -1.569 -10.690) 11.142 3.968 ( 3.318 1.916 -1.403) 4.080 4.393 ( -12.007 -6.932 9.323) 16.708 5.886 ( -4.214 -2.433 0.889) 4.946 6.293 ( -5.843 -3.374 -0.544) 6.769 6.480 ( -1.927 -1.113 -0.497) 2.280 6.849 ( 9.334 5.389 -3.664) 11.384 7.216 ( 5.442 3.142 3.029) 6.976 8.380 ( 1.823 1.052 0.888) 2.284 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.000 15.104 17.245) 22.924 0.998 ( 0.000 13.425 15.838) 20.763 1.519 ( 0.000 16.574 26.134) 30.947 2.885 ( -0.000 -0.031 -3.741) 3.741 2.983 ( -0.000 7.867 -2.536) 8.266 4.775 ( -0.000 -10.160 -6.267) 11.937 5.284 ( -0.000 1.378 -2.479) 2.836 6.055 ( -0.000 41.058 -24.669) 47.898 6.475 ( 0.000 -3.197 1.286) 3.446 6.512 ( 0.000 -0.947 1.636) 1.890 8.239 ( 0.000 -6.269 7.008) 9.403 8.698 ( -0.000 -2.523 -3.401) 4.235 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.195 18.744 10.695) 21.582 1.223 ( 3.233 12.590 18.929) 22.962 1.865 ( 11.580 18.784 7.518) 23.312 2.921 ( 3.853 1.206 -2.960) 5.006 3.111 ( 6.455 10.458 1.197) 12.348 4.655 ( -1.927 -4.835 -6.599) 8.404 5.363 ( 6.376 2.297 -2.054) 7.081 6.426 ( -0.530 -3.071 -0.404) 3.143 6.459 ( 12.550 22.077 -17.434) 30.803 6.484 ( -1.993 -0.744 0.176) 2.134 8.152 ( -3.976 -8.764 6.996) 11.897 8.606 ( -6.036 -3.484 -4.801) 8.463 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 5.777 18.359 6.024) 20.168 1.439 ( 2.359 12.256 15.127) 19.611 2.260 ( 14.915 16.638 -6.586) 23.295 2.985 ( 2.041 3.419 -2.877) 4.913 3.417 ( 14.905 10.674 6.835) 19.565 4.582 ( -0.400 -3.113 -4.590) 5.561 5.507 ( 7.448 4.478 -1.630) 8.842 6.345 ( -2.862 -5.126 0.504) 5.893 6.424 ( -3.489 -0.473 1.018) 3.665 6.811 ( 12.779 11.477 -11.946) 20.922 7.993 ( -6.611 -9.966 7.053) 13.884 8.413 ( -9.874 -3.897 -6.592) 12.495 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 6.270 11.672 2.365) 13.459 1.664 ( 6.465 16.906 7.938) 19.764 2.646 ( 15.840 14.609 -7.758) 22.902 3.041 ( 1.187 4.259 -2.360) 5.011 3.786 ( 14.431 8.127 6.395) 17.754 4.549 ( 0.795 -2.797 -1.151) 3.127 5.682 ( 7.421 6.312 -0.943) 9.788 6.251 ( -2.575 -4.305 0.201) 5.020 6.376 ( -2.763 1.137 0.758) 3.082 7.012 ( 6.247 2.847 -7.950) 10.504 7.775 ( -10.616 -10.491 5.206) 15.807 8.216 ( -6.045 -1.916 -5.144) 8.165 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 6.462 9.361 0.286) 11.378 1.968 ( 7.737 16.077 2.683) 18.043 3.007 ( 13.462 11.958 -5.707) 18.889 3.095 ( 1.139 5.066 -1.519) 5.410 4.059 ( 9.198 3.855 3.552) 10.587 4.538 ( 1.027 -3.444 1.967) 4.097 5.857 ( 5.580 7.001 0.230) 8.956 6.193 ( -0.051 -2.443 -0.304) 2.462 6.365 ( -0.895 3.019 0.113) 3.151 7.033 ( -0.452 -2.144 -6.908) 7.247 7.473 ( -14.229 -9.304 2.130) 17.134 8.171 ( 1.911 -0.098 -0.813) 2.079 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 6.011 7.285 -1.958) 9.646 2.233 ( 5.618 14.176 0.578) 15.260 3.129 ( 0.262 3.345 -0.550) 3.400 3.306 ( 9.024 10.793 -5.841) 15.233 4.183 ( 2.426 -0.363 0.276) 2.468 4.531 ( 1.762 -4.114 5.874) 7.385 5.988 ( 1.531 6.590 1.686) 6.973 6.206 ( 3.526 -0.434 -1.074) 3.711 6.406 ( 1.489 4.273 -0.707) 4.579 6.942 ( -4.321 -3.843 -6.697) 8.848 7.187 ( -10.664 -5.577 3.330) 12.487 8.228 ( 4.350 -0.530 0.245) 4.389 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 4.526 5.036 -3.162) 7.473 2.425 ( 2.076 12.147 -0.654) 12.341 3.149 ( -1.156 2.520 0.466) 2.811 3.484 ( 4.287 7.749 -8.721) 12.429 4.132 ( -4.132 -4.183 -3.593) 6.891 4.572 ( 3.472 -3.084 11.518) 12.419 6.044 ( -2.323 5.573 2.289) 6.457 6.294 ( 6.748 1.166 -0.907) 6.908 6.479 ( 2.249 4.253 -1.017) 4.918 6.772 ( -8.219 -4.420 -4.565) 10.389 7.066 ( -2.093 -1.003 3.834) 4.482 8.285 ( 3.564 -1.761 -0.509) 4.008 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 3.224 2.561 -3.291) 5.271 2.527 ( -2.468 9.900 -0.886) 10.241 3.141 ( -2.446 1.707 0.906) 3.118 3.553 ( 0.951 4.392 -12.193) 12.994 4.002 ( -4.034 -4.043 -2.128) 6.095 4.612 ( -0.481 -3.534 12.414) 12.916 6.038 ( -4.729 4.231 2.138) 6.697 6.414 ( 5.031 -1.066 -0.254) 5.149 6.537 ( -1.342 1.735 -0.726) 2.310 6.618 ( -1.950 1.815 -3.156) 4.130 7.082 ( 2.118 0.769 3.348) 4.035 8.311 ( 2.654 -2.703 -0.998) 3.918 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 1.427 -0.823 -2.421) 2.929 2.520 ( -7.925 6.319 0.313) 10.141 3.113 ( -3.095 2.015 0.467) 3.723 3.533 ( -1.467 0.724 -12.311) 12.419 3.943 ( 0.513 -0.502 -0.119) 0.728 4.538 ( -7.895 -5.330 10.170) 13.934 5.982 ( -6.526 2.469 1.722) 7.187 6.355 ( -5.534 -4.171 -0.788) 6.974 6.504 ( -1.603 0.676 -0.743) 1.892 6.750 ( 8.003 6.652 -2.938) 10.813 7.160 ( 4.702 1.405 2.826) 5.663 8.329 ( 3.289 -2.751 -0.277) 4.297 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.000 19.517 11.572) 22.690 1.347 ( 0.000 14.794 8.089) 16.861 2.018 ( 0.000 23.488 6.859) 24.469 2.874 ( -0.000 1.160 -2.915) 3.137 3.181 ( 0.000 12.929 1.681) 13.038 4.600 ( -0.000 -5.318 -5.496) 7.647 5.332 ( -0.000 4.847 -1.145) 4.980 6.396 ( 0.000 -4.869 0.753) 4.927 6.490 ( 0.000 -2.071 0.913) 2.264 6.530 ( -0.000 22.449 -15.641) 27.361 8.105 ( 0.000 -11.681 6.467) 13.352 8.611 ( -0.000 -3.454 -5.986) 6.911 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.163 17.428 3.445) 17.766 1.594 ( 2.501 15.431 11.792) 19.581 2.274 ( 3.591 22.433 -5.133) 23.291 2.941 ( 5.502 2.501 -2.792) 6.658 3.374 ( 6.219 14.346 6.188) 16.816 4.537 ( -0.151 -4.169 -3.425) 5.397 5.438 ( 5.777 6.261 -0.482) 8.533 6.334 ( -1.642 -5.411 0.853) 5.718 6.458 ( -1.463 -1.666 0.439) 2.260 6.735 ( 6.629 13.898 -10.199) 18.469 7.978 ( -2.792 -13.013 6.000) 14.599 8.500 ( -6.499 -3.505 -7.224) 10.330 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 2.927 14.175 -0.267) 14.477 1.811 ( 2.029 17.277 10.282) 20.207 2.566 ( 9.728 19.689 -7.864) 23.327 3.041 ( 3.506 4.089 -3.609) 6.483 3.676 ( 10.873 11.807 6.520) 17.324 4.498 ( 0.789 -3.816 -0.554) 3.936 5.621 ( 7.647 7.957 -0.122) 11.037 6.250 ( -2.460 -4.735 0.580) 5.368 6.424 ( -1.611 0.122 0.135) 1.622 6.915 ( 6.299 4.790 -6.471) 10.222 7.806 ( -4.994 -13.003 5.367) 14.927 8.310 ( -8.923 -2.303 -7.005) 11.575 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 3.665 10.821 -0.598) 11.440 2.070 ( 3.970 19.423 6.592) 20.892 2.910 ( 12.025 16.415 -5.462) 21.069 3.121 ( 2.050 5.586 -2.735) 6.549 3.953 ( 9.298 6.262 2.805) 11.556 4.481 ( 1.369 -4.471 1.801) 5.011 5.831 ( 7.108 9.261 0.239) 11.676 6.178 ( -1.430 -3.185 0.184) 3.496 6.414 ( -1.000 2.562 -0.099) 2.752 6.980 ( 1.951 -1.596 -5.593) 6.134 7.584 ( -9.202 -11.410 2.974) 14.957 8.168 ( -3.412 -0.808 -3.175) 4.730 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 4.093 8.915 -0.601) 9.828 2.335 ( 3.222 19.019 4.048) 19.710 3.149 ( 2.556 5.679 -2.364) 6.661 3.274 ( 7.844 14.160 -3.497) 16.561 4.117 ( 5.490 1.101 0.539) 5.625 4.458 ( 1.518 -6.408 2.845) 7.174 6.024 ( 4.489 9.569 0.983) 10.615 6.152 ( 1.241 -1.393 -0.601) 1.961 6.439 ( -0.057 4.413 -0.259) 4.421 6.936 ( -1.559 -3.543 -5.493) 6.720 7.320 ( -10.986 -7.675 1.827) 13.525 8.154 ( 2.589 -1.558 0.027) 3.021 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 3.108 6.831 -1.117) 7.587 2.556 ( 0.614 17.803 2.323) 17.965 3.201 ( -0.621 4.311 -0.182) 4.360 3.494 ( 3.636 12.106 -6.372) 14.155 4.135 ( -2.081 -3.356 -3.047) 4.988 4.467 ( 6.399 -6.666 7.387) 11.830 6.143 ( -0.412 6.167 1.910) 6.469 6.206 ( 5.004 3.087 -1.375) 6.038 6.489 ( 1.044 4.058 -0.146) 4.192 6.836 ( -5.032 -2.610 -5.006) 7.563 7.125 ( -5.932 -3.124 2.935) 7.319 8.192 ( 4.082 -3.321 0.180) 5.266 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 1.547 4.489 -1.788) 5.074 2.705 ( -3.218 16.016 1.338) 16.391 3.214 ( -2.531 3.539 1.195) 4.512 3.581 ( -1.414 7.845 -10.038) 12.818 4.015 ( -4.056 -5.251 -3.114) 7.330 4.556 ( 6.303 -5.415 9.812) 12.857 6.171 ( -3.286 4.973 1.409) 6.125 6.323 ( 5.062 2.559 -0.540) 5.698 6.545 ( 1.848 1.878 0.113) 2.637 6.706 ( -6.787 1.528 -3.355) 7.723 7.077 ( -0.032 -0.129 2.651) 2.655 8.217 ( 3.673 -4.827 -0.548) 6.091 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 0.057 1.783 -2.086) 2.745 2.751 ( -8.562 11.834 1.484) 14.682 3.202 ( -3.364 4.063 1.737) 5.554 3.551 ( -3.599 2.616 -11.481) 12.313 3.930 ( -0.515 -2.170 -0.434) 2.272 4.588 ( -0.339 -5.468 8.230) 9.886 6.134 ( -6.482 3.602 1.680) 7.603 6.369 ( -0.514 -2.936 -1.073) 3.168 6.556 ( -2.182 2.413 -0.014) 3.253 6.706 ( 3.077 7.064 -2.730) 8.174 7.112 ( 2.851 0.483 2.173) 3.617 8.226 ( 3.883 -5.402 -0.590) 6.679 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 14.213 1.098) 14.256 1.736 ( 0.000 15.635 4.861) 16.374 2.464 ( -0.000 22.883 -8.680) 24.474 2.897 ( -0.000 2.539 -0.928) 2.703 3.503 ( 0.000 17.228 7.973) 18.984 4.491 ( -0.000 -4.108 -0.846) 4.194 5.457 ( 0.000 8.168 0.809) 8.208 6.300 ( 0.000 -5.110 1.086) 5.224 6.449 ( -0.000 -2.205 -0.249) 2.219 6.780 ( -0.000 10.729 -6.793) 12.699 7.883 ( 0.000 -14.467 4.741) 15.224 8.499 ( -0.000 -3.358 -8.108) 8.776 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.253 12.847 -2.421) 13.076 1.927 ( 4.644 13.694 3.045) 14.777 2.652 ( 1.852 20.858 -8.513) 22.604 2.980 ( 5.514 3.082 -2.143) 6.670 3.725 ( 2.946 16.909 7.873) 18.883 4.455 ( 0.127 -3.809 1.987) 4.298 5.593 ( 5.340 9.330 1.402) 10.841 6.244 ( -1.602 -4.176 0.856) 4.553 6.429 ( 0.084 -1.190 -0.739) 1.403 6.868 ( 2.875 4.542 -3.853) 6.614 7.740 ( -1.745 -14.382 3.743) 14.963 8.393 ( -5.777 -2.440 -8.029) 10.188 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 2.064 10.054 -3.030) 10.701 2.178 ( 6.898 15.748 3.280) 17.502 2.899 ( 7.347 18.055 -4.827) 20.081 3.095 ( 5.255 3.695 -2.782) 7.000 3.937 ( 3.141 11.394 3.341) 12.282 4.434 ( 0.326 -3.583 3.994) 5.375 5.803 ( 7.453 10.140 1.314) 12.653 6.180 ( -2.028 -2.697 0.407) 3.399 6.432 ( 0.829 1.078 -0.918) 1.641 6.918 ( 2.030 -1.212 -2.895) 3.738 7.574 ( -3.459 -13.119 2.641) 13.822 8.241 ( -6.946 -0.784 -5.737) 9.043 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 3.542 8.572 -1.417) 9.382 2.460 ( 6.047 17.232 3.382) 18.573 3.144 ( 4.568 8.205 -3.354) 9.972 3.259 ( 9.171 11.611 -0.833) 14.820 4.062 ( 2.804 3.962 0.171) 4.857 4.404 ( -1.080 -4.589 3.008) 5.592 6.026 ( 6.658 10.044 0.832) 12.079 6.137 ( -0.766 -0.908 0.176) 1.201 6.470 ( 1.169 3.371 -0.846) 3.667 6.899 ( 0.101 -3.546 -3.096) 4.708 7.386 ( -6.181 -10.188 1.199) 11.977 8.139 ( -2.833 -0.605 -1.905) 3.467 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 3.103 6.987 -0.482) 7.660 2.717 ( 3.193 17.506 3.249) 18.089 3.239 ( 1.473 4.981 -1.250) 5.342 3.531 ( 6.605 13.534 -2.248) 15.227 4.119 ( 1.348 -0.334 -1.328) 1.921 4.329 ( 0.383 -8.572 2.709) 8.998 6.138 ( 1.672 0.552 -0.759) 1.917 6.216 ( 4.053 8.974 1.294) 9.932 6.516 ( 0.273 3.058 -0.388) 3.094 6.856 ( -0.933 -1.047 -3.236) 3.527 7.200 ( -6.436 -5.754 1.159) 8.711 8.112 ( 1.141 -2.685 0.073) 2.918 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 1.388 5.003 -0.485) 5.214 2.914 ( -0.694 16.682 3.016) 16.966 3.287 ( -0.974 4.235 0.733) 4.407 3.681 ( -1.682 11.303 -6.507) 13.151 4.033 ( -6.007 -4.456 -4.259) 8.607 4.365 ( 10.866 -8.487 7.126) 15.520 6.189 ( 3.032 1.516 -0.262) 3.400 6.336 ( 0.643 6.416 0.126) 6.449 6.529 ( 0.541 -0.601 0.656) 1.041 6.827 ( -4.056 5.003 -2.770) 7.011 7.094 ( -2.116 -1.657 1.623) 3.140 8.109 ( 2.690 -5.103 0.029) 5.769 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -0.583 2.868 -0.791) 3.032 3.015 ( -6.595 13.058 2.838) 14.901 3.300 ( -2.217 4.290 2.547) 5.460 3.651 ( -8.118 5.851 -10.005) 14.150 3.916 ( -1.125 -3.121 -0.772) 3.406 4.483 ( 8.173 -7.059 5.475) 12.108 6.238 ( -0.830 2.190 0.798) 2.474 6.350 ( -1.438 -0.148 -1.341) 1.972 6.557 ( 2.955 -0.289 0.880) 3.097 6.808 ( -4.942 9.477 -1.877) 10.852 7.090 ( 0.982 0.139 1.170) 1.534 8.103 ( 3.455 -6.260 -0.215) 7.153 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -0.000 12.581 -3.249) 12.994 1.971 ( -0.000 8.697 -4.851) 9.959 2.803 ( -0.000 18.361 -8.856) 20.385 2.958 ( 0.000 3.605 1.041) 3.753 3.905 ( 0.000 17.713 7.311) 19.162 4.432 ( 0.000 -2.914 4.989) 5.778 5.646 ( 0.000 10.006 2.458) 10.303 6.227 ( 0.000 -2.835 0.768) 2.938 6.408 ( -0.000 -1.378 -1.484) 2.025 6.871 ( -0.000 1.706 -1.422) 2.220 7.623 ( 0.000 -14.163 1.935) 14.295 8.395 ( -0.000 -2.048 -7.986) 8.244 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -0.667 8.353 -5.205) 9.865 2.152 ( 10.069 10.391 -3.991) 15.010 2.967 ( 2.967 15.711 -4.037) 16.490 3.037 ( 4.159 3.550 -0.065) 5.469 4.059 ( -1.295 11.381 3.438) 11.960 4.434 ( -0.493 0.418 6.777) 6.807 5.797 ( 5.195 9.999 2.484) 11.539 6.194 ( -1.688 -1.211 0.227) 2.090 6.408 ( 1.728 0.007 -1.659) 2.395 6.876 ( 0.697 -1.987 -0.177) 2.113 7.487 ( -1.021 -12.825 0.602) 12.880 8.316 ( -4.561 -0.861 -6.372) 7.883 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 3.045 7.112 -2.890) 8.258 2.444 ( 12.641 11.612 -2.308) 17.320 3.136 ( 3.857 5.726 -2.536) 7.355 3.199 ( 8.969 10.273 1.860) 13.763 4.101 ( -1.813 2.455 1.597) 3.444 4.443 ( -3.526 3.201 3.692) 6.026 6.007 ( 7.269 9.491 1.696) 12.075 6.156 ( -1.892 0.287 -0.296) 1.936 6.456 ( 3.034 2.092 -1.365) 3.930 6.852 ( 0.320 -4.176 -0.052) 4.188 7.348 ( -2.045 -10.715 -0.284) 10.912 8.209 ( -5.648 0.203 -3.405) 6.599 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 3.892 6.055 -0.833) 7.246 2.757 ( 10.735 12.653 -0.730) 16.609 3.239 ( 3.430 4.456 -1.552) 5.833 3.481 ( 11.909 8.894 3.069) 15.177 4.084 ( 0.157 -2.981 2.294) 3.765 4.370 ( -8.528 1.374 -1.619) 8.788 6.139 ( -0.616 2.087 -0.929) 2.366 6.215 ( 6.144 7.565 1.567) 9.871 6.523 ( 1.886 2.322 -1.113) 3.192 6.827 ( 1.596 -2.348 -0.261) 2.851 7.215 ( -2.995 -7.441 -0.479) 8.036 8.121 ( -3.960 -0.491 -0.831) 4.076 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 2.537 4.387 -0.142) 5.069 3.022 ( 6.160 12.468 0.602) 13.919 3.321 ( 1.774 3.736 -0.400) 4.155 3.744 ( 7.082 8.445 0.649) 11.040 4.088 ( 4.135 -4.731 2.525) 6.772 4.190 ( -9.428 -3.298 -2.899) 10.400 6.166 ( 1.468 2.747 -0.553) 3.163 6.362 ( 3.359 5.091 0.914) 6.167 6.527 ( -1.400 -1.533 -0.497) 2.135 6.881 ( 3.138 4.377 -0.647) 5.424 7.114 ( -2.439 -3.442 0.092) 4.220 8.057 ( -1.727 -2.903 0.051) 3.378 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 0.427 2.534 -0.136) 2.574 3.193 ( 0.215 9.920 1.447) 10.027 3.358 ( -0.494 1.576 1.185) 2.032 3.850 ( -3.096 8.582 -3.036) 9.615 3.942 ( -11.050 -0.715 -3.717) 11.681 4.229 ( 13.749 -9.154 4.250) 17.055 6.232 ( 2.739 3.014 0.073) 4.073 6.406 ( -3.367 1.647 -1.480) 4.029 6.493 ( 2.411 -3.184 1.488) 4.262 6.961 ( -1.735 8.168 -0.819) 8.391 7.079 ( 0.498 -0.621 0.453) 0.917 8.009 ( 0.663 -4.822 0.046) 4.868 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -0.000 4.031 -8.267) 9.197 2.105 ( -0.000 10.379 -3.795) 11.052 3.040 ( 0.000 3.648 1.664) 4.009 3.070 ( -0.000 12.698 -2.358) 12.915 4.152 ( 0.000 2.185 2.836) 3.580 4.506 ( 0.000 8.300 6.513) 10.551 5.851 ( 0.000 8.879 2.761) 9.299 6.209 ( -0.000 0.957 -0.059) 0.959 6.384 ( -0.000 0.294 -2.021) 2.042 6.847 ( 0.000 -3.755 1.550) 4.062 7.377 ( -0.000 -11.126 -1.337) 11.206 8.330 ( -0.000 -0.501 -5.348) 5.371 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 1.361 4.917 -4.237) 6.632 2.303 ( 11.927 8.292 -4.089) 15.091 3.107 ( 3.346 3.162 0.794) 4.672 3.202 ( 3.502 9.524 1.190) 10.217 4.135 ( -1.607 -3.415 3.504) 5.150 4.586 ( -3.559 9.771 1.871) 10.566 5.983 ( 5.445 7.230 1.866) 9.242 6.205 ( -2.301 2.634 -0.675) 3.562 6.416 ( 3.017 1.909 -1.358) 3.820 6.808 ( -0.022 -5.401 2.188) 5.827 7.269 ( -0.673 -8.760 -2.387) 9.104 8.282 ( -3.621 0.268 -3.187) 4.831 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 4.153 4.795 -1.057) 6.431 2.611 ( 16.178 7.966 -3.335) 18.339 3.203 ( 4.412 2.759 -0.622) 5.241 3.385 ( 8.375 5.902 5.262) 11.519 4.072 ( -1.936 -5.276 3.736) 6.748 4.564 ( -8.717 7.128 -3.122) 11.685 6.160 ( 6.368 3.707 0.470) 7.383 6.196 ( -1.029 5.604 -0.485) 5.719 6.496 ( 3.460 2.786 -0.895) 4.532 6.766 ( 1.293 -5.403 2.258) 5.997 7.175 ( -1.124 -5.946 -2.354) 6.493 8.204 ( -5.375 0.542 -1.049) 5.503 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 3.764 3.463 0.070) 5.115 2.941 ( 14.418 7.761 -2.814) 16.614 3.296 ( 4.098 2.051 -1.326) 4.770 3.618 ( 12.236 2.140 7.140) 14.328 3.998 ( -1.261 -6.535 3.393) 7.470 4.424 ( -13.131 5.511 -5.727) 15.350 6.191 ( -0.559 3.555 -0.656) 3.658 6.332 ( 5.121 3.293 1.078) 6.183 6.538 ( -0.715 0.472 -1.219) 1.490 6.806 ( 7.173 -0.843 1.753) 7.432 7.108 ( -1.063 -2.677 -1.457) 3.228 8.109 ( -5.749 -0.451 -0.039) 5.766 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -0.000 3.508 -3.364) 4.860 2.263 ( -0.000 7.819 -1.599) 7.981 3.107 ( 0.000 2.282 0.912) 2.458 3.258 ( 0.000 6.837 2.531) 7.291 4.115 ( 0.000 -5.629 4.337) 7.106 4.714 ( -0.000 8.934 -1.845) 9.122 5.994 ( 0.000 4.311 0.702) 4.368 6.266 ( -0.000 5.255 -0.672) 5.298 6.403 ( -0.000 2.534 -0.637) 2.613 6.758 ( 0.000 -6.849 3.084) 7.511 7.195 ( -0.000 -5.799 -3.613) 6.833 8.308 ( -0.000 0.455 -1.810) 1.866 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 2.843 4.169 0.071) 5.047 2.428 ( 11.243 6.195 -1.018) 12.878 3.154 ( 3.185 1.192 -0.025) 3.401 3.352 ( 3.616 4.342 5.413) 7.825 4.060 ( -1.380 -5.726 4.045) 7.145 4.732 ( -4.823 5.481 -5.648) 9.231 6.074 ( 5.826 1.774 -0.741) 6.135 6.291 ( -2.943 6.491 -0.504) 7.145 6.467 ( 3.410 3.570 0.213) 4.941 6.698 ( 0.409 -7.609 3.062) 8.213 7.137 ( -0.600 -2.860 -3.522) 4.576 8.283 ( -3.292 0.719 -0.293) 3.383 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 3.695 3.083 1.156) 4.949 2.719 ( 16.670 4.766 -1.710) 17.422 3.226 ( 4.670 0.094 -1.373) 4.869 3.494 ( 7.187 1.237 8.941) 11.538 3.988 ( -2.241 -4.967 2.779) 6.117 4.635 ( -8.715 3.091 -7.406) 11.847 6.184 ( 5.372 -0.206 -1.385) 5.551 6.318 ( -0.436 5.580 0.462) 5.616 6.547 ( 1.235 2.512 -0.313) 2.817 6.677 ( 5.020 -4.668 2.889) 7.439 7.100 ( -0.716 -0.429 -2.477) 2.614 8.212 ( -5.852 0.459 0.429) 5.885 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.000 4.976 2.676) 5.650 2.383 ( 0.000 4.591 1.019) 4.702 3.131 ( -0.000 -0.041 -0.265) 0.268 3.377 ( 0.000 3.078 6.861) 7.520 4.030 ( 0.000 -5.278 3.515) 6.341 4.783 ( -0.000 1.290 -8.637) 8.732 6.024 ( -0.000 -0.346 -1.914) 1.945 6.398 ( -0.000 8.394 -0.616) 8.417 6.461 ( 0.000 2.558 1.331) 2.884 6.626 ( 0.000 -8.242 2.926) 8.746 7.118 ( -0.000 -0.040 -3.578) 3.579 8.319 ( 0.000 0.902 0.659) 1.117 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 1.241 3.967 3.237) 5.268 2.518 ( 10.772 2.787 0.971) 11.168 3.150 ( 2.980 -1.158 -0.962) 3.338 3.452 ( 3.078 1.625 9.680) 10.287 3.982 ( -1.265 -4.109 2.114) 4.791 4.715 ( -3.570 -2.150 -10.054) 10.884 6.059 ( 5.790 -2.004 -2.239) 6.523 6.411 ( -3.592 3.631 0.452) 5.128 6.531 ( 2.404 -0.830 0.560) 2.604 6.591 ( 2.640 0.145 2.892) 3.919 7.112 ( -0.699 1.892 -2.972) 3.592 8.302 ( -3.545 0.921 1.006) 3.798 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 0.000 4.548 3.779) 5.913 2.439 ( 0.000 -0.237 1.895) 1.910 3.107 ( -0.000 -1.918 -0.692) 2.039 3.476 ( 0.000 1.432 11.527) 11.616 3.963 ( 0.000 -2.767 0.933) 2.920 4.663 ( -0.000 -6.967 -11.558) 13.495 5.974 ( -0.000 -3.107 -2.346) 3.893 6.436 ( 0.000 -7.279 0.536) 7.298 6.497 ( 0.000 0.019 1.558) 1.558 6.626 ( 0.000 9.514 2.105) 9.745 7.137 ( -0.000 3.724 -2.982) 4.771 8.347 ( 0.000 1.324 0.990) 1.653 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.000 -0.000 19.131) 19.131 0.863 ( 0.000 -0.000 19.131) 19.131 1.462 ( 0.000 -0.000 34.206) 34.206 2.883 ( -0.000 0.000 -3.831) 3.831 2.883 ( -0.000 0.000 -3.831) 3.831 5.034 ( -0.000 0.000 -16.699) 16.699 5.279 ( -0.000 0.000 -2.641) 2.641 5.279 ( -0.000 0.000 -2.641) 2.641 6.520 ( 0.000 -0.000 1.739) 1.739 6.520 ( 0.000 -0.000 1.739) 1.739 8.322 ( 0.000 -0.000 7.519) 7.519 8.718 ( -0.000 0.000 -3.257) 3.257 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 3.890 2.246 17.298) 17.872 1.114 ( 9.699 5.600 19.735) 22.691 1.664 ( 9.692 5.596 18.845) 21.918 2.899 ( 1.609 0.929 -3.644) 4.090 2.951 ( 8.281 4.781 -0.990) 9.613 4.727 ( -7.958 -4.595 -8.208) 12.322 5.328 ( 3.794 2.190 -2.773) 5.185 5.896 ( 34.594 19.973 -19.271) 44.351 6.493 ( -2.168 -1.252 1.824) 3.097 6.509 ( -2.109 -1.218 1.029) 2.644 8.288 ( -4.935 -2.849 7.541) 9.452 8.658 ( -4.710 -2.719 -3.868) 6.674 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 10.353 5.977 12.142) 17.040 1.347 ( 5.511 3.182 21.336) 22.265 1.983 ( 16.749 9.670 -3.987) 19.747 2.931 ( 2.224 1.284 -3.210) 4.110 3.240 ( 16.100 9.295 5.300) 19.331 4.603 ( -2.164 -1.249 -7.153) 7.576 5.429 ( 6.004 3.467 -2.780) 7.470 6.434 ( -3.991 -2.304 -0.496) 4.635 6.439 ( -2.981 -1.721 1.859) 3.912 6.502 ( 23.767 13.722 -14.690) 31.128 8.161 ( -8.278 -4.779 7.717) 12.285 8.486 ( -9.117 -5.263 -5.408) 11.835 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 13.323 7.692 7.282) 17.020 1.518 ( 5.928 3.423 12.653) 14.386 2.371 ( 19.348 11.171 -8.233) 23.810 2.976 ( 2.618 1.512 -2.583) 3.976 3.636 ( 16.525 9.541 6.616) 20.196 4.564 ( 0.007 0.004 -4.304) 4.304 5.575 ( 7.658 4.421 -2.451) 9.175 6.327 ( -4.823 -2.784 -0.028) 5.569 6.380 ( -2.658 -1.535 1.728) 3.522 6.878 ( 12.999 7.505 -9.782) 17.916 7.965 ( -11.871 -6.854 6.302) 15.086 8.262 ( -7.842 -4.527 -4.786) 10.242 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 8.080 4.665 5.160) 10.662 1.737 ( 13.487 7.787 3.687) 16.004 2.770 ( 17.912 10.341 -5.796) 21.479 3.029 ( 2.672 1.543 -1.828) 3.586 3.972 ( 11.580 6.686 4.406) 14.078 4.566 ( 0.638 0.368 -1.246) 1.447 5.745 ( 7.852 4.533 -1.553) 9.199 6.238 ( -2.881 -1.663 -0.054) 3.327 6.341 ( -1.049 -0.606 1.210) 1.712 7.019 ( 2.440 1.409 -7.679) 8.179 7.660 ( -15.796 -9.120 1.743) 18.323 8.169 ( -0.094 -0.055 0.482) 0.494 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 8.182 4.724 0.754) 9.478 2.027 ( 11.638 6.719 1.187) 13.491 3.080 ( 2.218 1.280 -1.000) 2.749 3.110 ( 13.720 7.921 -4.670) 16.516 4.166 ( 4.734 2.733 2.007) 5.823 4.578 ( 0.545 0.315 1.704) 1.817 5.896 ( 5.596 3.231 0.055) 6.462 6.210 ( 0.533 0.308 -0.355) 0.710 6.349 ( 1.651 0.953 0.060) 1.907 6.978 ( -3.249 -1.876 -6.914) 7.867 7.327 ( -13.533 -7.813 2.216) 15.783 8.218 ( 3.124 1.804 1.672) 3.976 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 6.673 3.853 -2.140) 7.997 2.253 ( 8.477 4.894 -0.528) 9.802 3.117 ( 1.165 0.672 -0.166) 1.355 3.339 ( 8.357 4.825 -6.249) 11.497 4.181 ( -3.071 -1.773 -2.578) 4.384 4.623 ( 2.210 1.276 7.966) 8.365 5.984 ( 2.028 1.171 1.692) 2.889 6.262 ( 4.291 2.477 -0.350) 4.967 6.409 ( 3.490 2.015 -1.180) 4.199 6.843 ( -7.105 -4.102 -5.859) 10.082 7.119 ( -5.576 -3.220 4.471) 7.839 8.287 ( 2.500 1.444 0.393) 2.914 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 5.197 3.001 -3.787) 7.096 2.395 ( 4.495 2.595 -1.605) 5.433 3.128 ( -0.326 -0.188 0.505) 0.630 3.451 ( 4.076 2.353 -9.311) 10.433 4.063 ( -5.360 -3.094 -3.611) 7.165 4.689 ( 0.031 0.018 11.775) 11.775 6.004 ( -0.608 -0.351 2.396) 2.497 6.394 ( 7.171 4.140 0.263) 8.285 6.474 ( 2.417 1.396 -1.647) 3.241 6.655 ( -7.609 -4.393 -3.485) 9.452 7.083 ( 0.384 0.222 3.956) 3.981 8.327 ( 1.224 0.707 -0.919) 1.686 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 12.626 17.154) 21.300 1.127 ( 0.000 10.820 12.242) 16.339 1.738 ( 0.000 9.254 21.137) 23.074 2.851 ( -0.000 0.165 -3.466) 3.470 2.964 ( -0.000 9.180 -1.620) 9.322 4.706 ( -0.000 -9.348 -8.487) 12.626 5.264 ( -0.000 1.676 -1.705) 2.390 5.867 ( -0.000 38.548 -16.840) 42.066 6.488 ( 0.000 -3.498 1.451) 3.787 6.525 ( 0.000 -1.107 1.214) 1.643 8.306 ( 0.000 -6.526 7.484) 9.930 8.661 ( -0.000 -3.157 -4.477) 5.479 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.558 14.774 10.999) 18.427 1.389 ( 6.737 10.467 17.193) 21.226 1.910 ( 3.986 13.169 2.110) 13.920 2.893 ( 3.735 1.465 -3.159) 5.106 3.133 ( 8.750 12.070 3.458) 15.303 4.591 ( -1.785 -3.693 -7.152) 8.245 5.346 ( 5.993 2.893 -1.752) 6.881 6.298 ( 15.122 26.317 -14.636) 33.697 6.439 ( -1.625 -4.475 1.090) 4.884 6.493 ( -2.435 -1.458 0.882) 2.972 8.218 ( -3.824 -9.118 7.397) 12.348 8.558 ( -6.213 -4.391 -5.705) 9.510 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 5.315 14.646 6.569) 16.909 1.587 ( 0.309 9.394 16.386) 18.890 2.189 ( 13.772 16.058 -8.573) 22.826 2.957 ( 2.304 3.346 -3.227) 5.188 3.478 ( 15.320 11.074 6.111) 19.867 4.538 ( 0.293 -1.475 -4.792) 5.022 5.490 ( 7.197 5.237 -1.980) 9.118 6.350 ( -3.098 -5.113 0.594) 6.007 6.433 ( -3.227 -0.753 0.891) 3.431 6.712 ( 13.897 13.588 -9.403) 21.591 8.058 ( -6.694 -10.555 6.998) 14.325 8.354 ( -9.617 -4.427 -6.107) 12.222 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 6.998 10.297 3.082) 12.826 1.751 ( 2.597 14.487 10.180) 17.896 2.582 ( 16.640 15.152 -5.978) 23.285 3.017 ( 1.724 4.171 -2.645) 5.231 3.834 ( 13.786 7.418 3.882) 16.129 4.533 ( 1.642 -1.169 -2.164) 2.957 5.669 ( 7.481 7.121 -1.796) 10.484 6.253 ( -2.769 -4.259 0.327) 5.090 6.384 ( -2.672 0.653 1.065) 2.949 6.942 ( 6.358 3.845 -7.040) 10.236 7.813 ( -12.354 -11.005 2.822) 16.784 8.186 ( -3.677 -2.036 -1.180) 4.365 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 5.843 7.770 2.262) 9.982 2.003 ( 5.536 16.068 4.776) 17.654 2.963 ( 13.824 12.271 -3.824) 18.876 3.079 ( 1.498 4.926 -1.859) 5.474 4.085 ( 8.844 3.027 1.911) 9.541 4.544 ( 1.942 -2.145 -0.636) 2.962 5.853 ( 6.083 7.772 -1.020) 9.922 6.192 ( -0.349 -2.592 0.043) 2.616 6.369 ( -1.148 2.579 0.764) 2.924 6.972 ( -0.552 -1.649 -6.317) 6.552 7.487 ( -14.203 -9.041 1.013) 16.867 8.177 ( 2.673 -0.645 2.234) 3.543 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 4.882 6.640 0.344) 8.249 2.244 ( 4.129 14.460 1.974) 15.167 3.122 ( 0.892 3.546 -0.808) 3.744 3.258 ( 8.019 10.174 -4.633) 13.757 4.179 ( 0.773 -1.587 -1.090) 2.075 4.573 ( 4.675 -2.364 3.348) 6.218 5.998 ( 2.219 7.189 0.454) 7.537 6.199 ( 3.386 -0.789 -0.323) 3.492 6.402 ( 0.985 4.185 -0.013) 4.299 6.885 ( -4.362 -3.445 -5.834) 8.058 7.217 ( -9.498 -5.351 3.196) 11.361 8.237 ( 3.899 -1.071 1.550) 4.330 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 3.512 5.087 -1.793) 6.436 2.422 ( 1.039 12.598 0.121) 12.641 3.153 ( -0.838 2.866 0.242) 2.996 3.411 ( 2.901 6.616 -7.261) 10.243 4.097 ( -4.380 -4.298 -3.952) 7.299 4.666 ( 5.397 -2.346 8.787) 10.576 6.063 ( -2.019 5.638 1.732) 6.234 6.289 ( 7.035 0.948 -0.193) 7.102 6.471 ( 1.891 4.611 -0.690) 5.031 6.731 ( -7.330 -3.847 -4.166) 9.267 7.103 ( -2.149 -1.503 3.954) 4.745 8.282 ( 2.999 -2.041 -0.133) 3.630 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.000 12.386 4.077) 13.040 1.453 ( 0.000 16.458 13.536) 21.310 2.047 ( -0.000 16.346 -0.849) 16.369 2.852 ( -0.000 1.690 -1.740) 2.426 3.211 ( 0.000 15.204 4.650) 15.899 4.548 ( -0.000 -3.521 -5.590) 6.607 5.327 ( 0.000 5.362 0.078) 5.362 6.395 ( -0.000 13.827 -5.542) 14.897 6.416 ( -0.000 6.814 -4.640) 8.244 6.495 ( 0.000 -2.365 0.236) 2.377 8.165 ( 0.000 -12.324 6.759) 14.056 8.551 ( -0.000 -4.420 -7.004) 8.282 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.145 14.212 2.232) 14.387 1.697 ( 4.480 11.654 10.593) 16.374 2.210 ( 2.320 20.394 -8.477) 22.207 2.917 ( 4.569 2.673 -2.169) 5.721 3.437 ( 6.457 15.568 7.178) 18.318 4.506 ( -0.043 -1.936 -3.151) 3.698 5.437 ( 5.271 6.970 0.299) 8.744 6.343 ( -1.810 -5.461 1.043) 5.847 6.459 ( -1.311 -1.949 -0.180) 2.356 6.656 ( 7.056 16.484 -6.887) 19.208 8.034 ( -2.575 -13.907 6.209) 15.446 8.430 ( -6.279 -4.149 -7.820) 10.853 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 3.314 11.926 0.115) 12.378 1.897 ( 2.729 14.205 7.967) 16.513 2.500 ( 10.532 20.453 -6.209) 23.828 3.011 ( 3.496 4.021 -2.817) 6.027 3.728 ( 9.459 11.374 4.657) 15.509 4.492 ( 0.908 -1.586 -0.684) 1.952 5.620 ( 7.123 8.792 -0.129) 11.316 6.256 ( -2.618 -4.781 0.682) 5.493 6.424 ( -1.332 -0.321 -0.050) 1.371 6.865 ( 5.953 6.222 -4.360) 9.652 7.852 ( -5.462 -13.970 4.596) 15.688 8.251 ( -7.340 -2.413 -5.745) 9.628 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 4.445 9.647 0.286) 10.626 2.129 ( 3.506 17.983 6.079) 19.304 2.869 ( 12.447 16.895 -3.266) 21.238 3.097 ( 2.467 5.758 -2.247) 6.655 3.971 ( 8.575 5.396 1.197) 10.202 4.490 ( 1.086 -2.858 0.222) 3.065 5.830 ( 6.875 10.016 -0.449) 12.156 6.181 ( -1.612 -3.289 0.432) 3.688 6.414 ( -0.770 2.071 0.169) 2.216 6.935 ( 1.236 -0.788 -4.089) 4.344 7.604 ( -10.181 -11.582 1.322) 15.478 8.151 ( -1.080 -1.322 -0.459) 1.767 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 4.140 8.254 0.648) 9.256 2.375 ( 2.332 18.660 4.516) 19.340 3.130 ( 3.658 6.194 -1.515) 7.352 3.244 ( 6.451 13.873 -2.993) 15.589 4.119 ( 4.946 0.260 -0.224) 4.958 4.474 ( 2.436 -5.181 0.554) 5.752 6.026 ( 4.850 10.137 -0.330) 11.243 6.151 ( 0.807 -1.569 0.237) 1.781 6.439 ( 0.025 4.111 0.311) 4.123 6.891 ( -2.121 -2.939 -4.126) 5.492 7.334 ( -10.366 -7.575 1.274) 12.902 8.161 ( 3.114 -2.241 1.505) 4.121 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 2.543 6.626 -0.013) 7.097 2.581 ( -0.471 18.079 3.051) 18.341 3.201 ( -0.020 4.678 0.039) 4.678 3.437 ( 2.063 11.437 -6.001) 13.079 4.105 ( -3.020 -4.106 -3.495) 6.180 4.525 ( 8.738 -5.480 5.384) 11.635 6.157 ( -0.336 5.961 1.009) 6.055 6.197 ( 5.241 3.260 -0.606) 6.201 6.490 ( 0.931 4.239 0.385) 4.357 6.795 ( -5.038 -2.000 -3.889) 6.671 7.152 ( -5.266 -3.567 2.757) 6.932 8.196 ( 3.686 -3.729 0.658) 5.285 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -0.000 12.717 -2.239) 12.913 1.777 ( 0.000 10.571 3.676) 11.192 2.374 ( -0.000 21.650 -10.423) 24.028 2.895 ( 0.000 3.120 0.501) 3.160 3.581 ( 0.000 18.072 8.602) 20.015 4.484 ( -0.000 -1.530 -0.591) 1.640 5.470 ( 0.000 8.668 1.938) 8.882 6.310 ( 0.000 -5.203 1.043) 5.307 6.443 ( -0.000 -2.572 -0.951) 2.742 6.732 ( -0.000 12.985 -3.390) 13.420 7.927 ( 0.000 -15.668 4.945) 16.430 8.420 ( -0.000 -3.605 -8.928) 9.629 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.470 11.270 -3.462) 11.799 1.938 ( 6.975 10.278 -0.766) 12.445 2.580 ( 3.340 21.919 -6.599) 23.133 2.969 ( 4.055 3.447 -0.155) 5.324 3.792 ( 1.693 16.065 6.478) 17.404 4.473 ( -0.000 -1.240 1.946) 2.307 5.609 ( 4.846 9.822 1.982) 11.130 6.251 ( -1.714 -4.336 0.677) 4.711 6.420 ( 0.308 -1.548 -1.187) 1.975 6.846 ( 2.512 5.860 -0.910) 6.440 7.774 ( -1.546 -15.773 3.710) 16.277 8.318 ( -5.116 -2.067 -8.199) 9.883 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 3.217 9.413 -2.403) 10.234 2.193 ( 9.237 13.550 -0.118) 16.400 2.864 ( 7.945 18.992 -2.711) 20.764 3.079 ( 4.794 4.411 -0.657) 6.548 3.962 ( 1.681 10.200 2.107) 10.550 4.465 ( -0.438 -1.822 2.826) 3.391 5.814 ( 6.851 10.584 1.107) 12.657 6.183 ( -2.058 -2.916 0.283) 3.581 6.424 ( 1.137 0.729 -0.856) 1.599 6.901 ( 1.077 -0.445 -0.580) 1.302 7.596 ( -3.651 -14.265 1.906) 14.848 8.193 ( -5.188 -0.270 -4.628) 6.958 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 4.322 8.318 -0.508) 9.388 2.482 ( 7.631 15.741 1.279) 17.540 3.122 ( 4.913 8.482 -1.253) 9.882 3.254 ( 8.280 12.846 -0.287) 15.286 4.063 ( 2.374 3.777 0.074) 4.462 4.423 ( -1.994 -4.399 1.040) 4.940 6.029 ( 6.121 10.086 0.118) 11.799 6.140 ( -0.556 -0.796 0.274) 1.009 6.464 ( 1.486 3.045 -0.318) 3.403 6.879 ( -0.884 -2.827 -1.103) 3.161 7.393 ( -6.208 -10.614 0.413) 12.303 8.127 ( -1.309 -0.732 -0.679) 1.646 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 3.214 6.812 0.181) 7.535 2.743 ( 4.021 16.627 2.315) 17.262 3.232 ( 2.025 5.185 -0.088) 5.568 3.507 ( 4.181 14.453 -2.777) 15.299 4.104 ( -0.756 -0.731 -1.958) 2.223 4.352 ( 3.070 -8.267 2.330) 9.122 6.135 ( 1.971 0.545 0.005) 2.045 6.222 ( 3.626 9.027 -0.010) 9.728 6.516 ( 0.691 2.875 0.384) 2.981 6.833 ( -1.778 -0.333 -1.592) 2.409 7.209 ( -5.733 -6.077 0.838) 8.397 8.115 ( 1.438 -3.019 0.487) 3.379 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -0.000 12.355 -4.670) 13.208 1.915 ( -0.000 6.124 -7.362) 9.576 2.739 ( -0.000 20.160 -4.879) 20.741 2.972 ( 0.000 3.836 1.823) 4.247 3.963 ( 0.000 15.581 5.191) 16.423 4.476 ( 0.000 -0.347 4.589) 4.602 5.671 ( 0.000 10.203 2.984) 10.630 6.232 ( 0.000 -3.074 0.468) 3.110 6.392 ( -0.000 -1.647 -1.916) 2.527 6.872 ( 0.000 2.500 1.661) 3.002 7.641 ( 0.000 -15.756 1.915) 15.872 8.320 ( -0.000 -1.068 -8.235) 8.304 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.490 8.079 -4.937) 9.480 2.107 ( 11.463 10.027 -5.671) 16.252 2.940 ( 3.510 17.231 -1.620) 17.659 3.045 ( 3.539 3.898 1.555) 5.490 4.084 ( -1.870 9.873 1.933) 10.233 4.489 ( -1.221 1.328 5.191) 5.496 5.819 ( 4.734 10.012 2.397) 11.332 6.194 ( -1.781 -1.530 -0.021) 2.347 6.393 ( 2.011 -0.086 -1.669) 2.615 6.886 ( 0.133 -1.551 2.497) 2.942 7.491 ( -0.763 -14.380 0.330) 14.404 8.259 ( -3.834 0.442 -6.021) 7.151 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 4.152 7.421 -1.875) 8.708 2.415 ( 14.237 11.029 -3.956) 18.438 3.123 ( 3.618 6.547 -0.201) 7.483 3.219 ( 8.980 11.282 2.494) 14.634 4.113 ( -2.235 3.474 1.016) 4.254 4.468 ( -4.750 1.226 1.692) 5.189 6.019 ( 6.731 9.493 1.080) 11.687 6.154 ( -1.734 -0.048 -0.333) 1.766 6.445 ( 3.253 2.053 -0.921) 3.956 6.862 ( -0.568 -3.662 2.183) 4.301 7.343 ( -1.675 -11.829 -0.767) 11.972 8.180 ( -4.565 1.108 -2.688) 5.413 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -0.000 5.191 -6.952) 8.677 2.071 ( -0.000 11.141 -3.421) 11.654 3.055 ( 0.000 3.413 1.667) 3.799 3.061 ( 0.000 14.251 0.419) 14.257 4.172 ( 0.000 3.055 1.433) 3.375 4.554 ( 0.000 5.854 4.106) 7.151 5.874 ( 0.000 8.390 2.275) 8.693 6.208 ( -0.000 0.668 -0.123) 0.679 6.367 ( -0.000 0.546 -1.749) 1.832 6.872 ( 0.000 -3.623 4.049) 5.433 7.363 ( -0.000 -12.587 -1.704) 12.702 8.282 ( -0.000 1.139 -4.898) 5.029 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 2.616 6.141 -2.544) 7.144 2.269 ( 11.349 9.490 -3.254) 15.148 3.114 ( 2.775 3.006 0.833) 4.175 3.222 ( 4.367 10.802 3.160) 12.072 4.163 ( -1.778 -1.969 2.466) 3.622 4.592 ( -4.083 6.400 -0.708) 7.625 5.996 ( 5.275 6.487 0.836) 8.403 6.200 ( -2.402 2.437 -0.356) 3.441 6.406 ( 3.137 2.397 -0.756) 4.020 6.838 ( -0.405 -5.373 4.295) 6.891 7.245 ( -0.291 -9.774 -2.894) 10.197 8.256 ( -3.226 1.684 -2.574) 4.457 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -0.000 5.840 -0.564) 5.867 2.253 ( -0.000 8.855 -0.567) 8.873 3.114 ( 0.000 1.811 0.572) 1.899 3.290 ( 0.000 8.207 4.516) 9.367 4.152 ( 0.000 -4.929 3.657) 6.138 4.682 ( -0.000 5.883 -5.019) 7.733 5.994 ( -0.000 3.238 -0.574) 3.288 6.262 ( -0.000 5.080 -0.289) 5.088 6.401 ( 0.000 3.355 0.330) 3.371 6.794 ( 0.000 -7.343 4.766) 8.754 7.159 ( -0.000 -6.124 -4.227) 7.441 8.295 ( -0.000 1.798 -1.185) 2.153 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.000 -0.000 15.021) 15.021 1.020 ( 0.000 -0.000 15.021) 15.021 1.749 ( 0.000 -0.000 28.011) 28.011 2.847 ( -0.000 0.000 -3.720) 3.720 2.847 ( -0.000 0.000 -3.720) 3.720 4.883 ( -0.000 0.000 -15.850) 15.850 5.256 ( -0.000 0.000 -2.245) 2.245 5.256 ( -0.000 0.000 -2.245) 2.245 6.534 ( 0.000 -0.000 1.463) 1.463 6.534 ( 0.000 -0.000 1.463) 1.463 8.392 ( 0.000 -0.000 7.715) 7.715 8.684 ( -0.000 0.000 -4.170) 4.170 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 2.974 1.717 14.572) 14.971 1.269 ( 12.716 7.342 13.707) 20.087 1.817 ( -0.210 -0.121 14.420) 14.422 2.865 ( 1.721 0.994 -3.667) 4.172 2.949 ( 10.736 6.198 0.485) 12.406 4.648 ( -7.186 -4.149 -8.613) 11.959 5.302 ( 3.673 2.121 -2.765) 5.063 5.755 ( 32.030 18.492 -11.838) 38.833 6.509 ( -2.087 -1.205 1.703) 2.951 6.517 ( -2.430 -1.403 0.654) 2.881 8.358 ( -4.932 -2.847 7.687) 9.567 8.618 ( -5.010 -2.892 -4.856) 7.553 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 8.579 4.953 11.492) 15.172 1.545 ( 4.219 2.436 21.406) 21.953 1.924 ( 12.736 7.353 -8.566) 17.019 2.901 ( 2.448 1.413 -3.343) 4.378 3.287 ( 17.321 10.000 4.400) 20.479 4.540 ( -1.345 -0.777 -6.342) 6.530 5.402 ( 6.033 3.483 -3.119) 7.632 6.374 ( 22.495 12.988 -9.865) 27.785 6.443 ( -1.398 -0.807 -0.673) 1.749 6.457 ( -2.955 -1.706 1.916) 3.914 8.232 ( -8.363 -4.828 7.610) 12.295 8.436 ( -9.344 -5.395 -5.459) 12.092 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 11.648 6.725 7.889) 15.593 1.640 ( 2.273 1.313 13.254) 13.511 2.301 ( 20.437 11.799 -6.533) 24.486 2.951 ( 2.922 1.687 -2.821) 4.398 3.682 ( 16.208 9.358 3.129) 18.975 4.525 ( 1.081 0.624 -3.997) 4.188 5.549 ( 7.917 4.571 -3.110) 9.657 6.326 ( -4.749 -2.742 -0.233) 5.489 6.397 ( -2.753 -1.589 2.021) 3.767 6.798 ( 13.741 7.933 -7.580) 17.584 8.008 ( -13.878 -8.013 2.485) 16.217 8.239 ( -5.722 -3.303 0.220) 6.610 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 5.679 3.279 7.876) 10.249 1.777 ( 12.143 7.011 4.857) 14.839 2.728 ( 18.466 10.661 -3.169) 21.557 3.011 ( 3.032 1.750 -2.176) 4.122 3.999 ( 11.334 6.544 1.436) 13.166 4.547 ( 1.494 0.863 -2.884) 3.361 5.725 ( 8.434 4.870 -2.568) 10.072 6.237 ( -2.899 -1.674 -0.132) 3.350 6.355 ( -1.391 -0.803 1.848) 2.448 6.952 ( 2.694 1.555 -6.631) 7.324 7.666 ( -15.869 -9.162 -0.328) 18.326 8.193 ( 0.274 0.158 4.586) 4.597 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 6.213 3.587 4.234) 8.330 2.044 ( 10.589 6.114 2.492) 12.479 3.069 ( 2.620 1.513 -1.426) 3.345 3.076 ( 13.214 7.629 -2.752) 15.504 4.177 ( 3.617 2.088 0.309) 4.188 4.579 ( 2.810 1.622 -1.311) 3.499 5.891 ( 6.528 3.769 -1.281) 7.646 6.208 ( 0.467 0.270 -0.081) 0.545 6.354 ( 0.965 0.557 1.057) 1.535 6.919 ( -3.164 -1.827 -5.920) 6.957 7.346 ( -12.273 -7.086 1.980) 14.309 8.242 ( 2.268 1.310 3.642) 4.486 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.000 12.556 14.572) 19.235 1.217 ( 0.000 8.405 7.277) 11.117 1.897 ( 0.000 1.623 13.340) 13.438 2.824 ( -0.000 0.564 -2.372) 2.438 2.956 ( 0.000 11.391 -0.111) 11.392 4.627 ( -0.000 -7.887 -8.261) 11.421 5.253 ( -0.000 2.158 -0.675) 2.261 5.743 ( -0.000 35.928 -10.462) 37.420 6.501 ( 0.000 -3.624 1.342) 3.864 6.534 ( 0.000 -1.350 0.621) 1.486 8.375 ( 0.000 -6.712 7.454) 10.031 8.616 ( -0.000 -3.807 -5.389) 6.598 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -0.162 11.418 8.407) 14.180 1.532 ( 11.166 10.862 13.609) 20.685 1.907 ( -2.604 6.725 -2.445) 7.614 2.866 ( 3.136 1.801 -2.555) 4.428 3.168 ( 9.966 13.794 3.907) 17.460 4.530 ( -1.475 -2.583 -5.769) 6.491 5.332 ( 5.042 3.714 -1.168) 6.371 6.190 ( 15.667 27.552 -8.887) 32.917 6.448 ( -1.883 -4.737 0.934) 5.182 6.499 ( -2.162 -1.668 0.461) 2.770 8.286 ( -3.673 -9.424 7.284) 12.464 8.503 ( -6.142 -5.174 -6.218) 10.157 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 5.440 11.323 6.033) 13.936 1.728 ( -1.091 5.839 13.752) 14.980 2.111 ( 14.959 17.085 -7.686) 23.974 2.929 ( 2.335 3.412 -2.759) 4.970 3.521 ( 14.595 11.484 3.014) 18.814 4.499 ( 0.667 -0.224 -3.431) 3.503 5.472 ( 6.523 6.103 -1.975) 9.149 6.355 ( -3.402 -4.866 0.349) 5.948 6.441 ( -2.629 -1.146 0.856) 2.993 6.642 ( 14.031 14.788 -5.844) 21.207 8.114 ( -7.978 -11.141 4.673) 14.478 8.307 ( -7.584 -4.766 -3.405) 9.582 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 7.378 8.164 4.037) 11.721 1.842 ( 1.168 12.780 9.102) 15.733 2.541 ( 17.504 15.618 -2.602) 23.603 2.994 ( 1.986 4.244 -2.395) 5.263 3.854 ( 13.255 7.306 0.281) 15.137 4.512 ( 1.655 -0.111 -2.377) 2.898 5.650 ( 7.223 7.927 -2.252) 10.958 6.256 ( -2.933 -4.047 0.153) 5.000 6.395 ( -2.354 0.123 1.320) 2.702 6.886 ( 5.915 4.602 -5.055) 9.040 7.823 ( -13.827 -10.728 -0.604) 17.511 8.198 ( -1.112 -2.974 3.627) 4.820 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 6.073 5.973 3.911) 9.373 2.053 ( 3.632 15.692 5.913) 17.158 2.938 ( 13.741 12.187 -1.341) 18.416 3.062 ( 1.741 4.928 -1.937) 5.574 4.093 ( 8.928 2.810 -0.039) 9.360 4.527 ( 2.208 -1.073 -3.083) 3.941 5.840 ( 6.332 8.497 -1.924) 10.770 6.194 ( -0.507 -2.496 0.162) 2.552 6.379 ( -1.193 2.086 1.340) 2.751 6.920 ( -0.877 -1.113 -4.788) 4.994 7.492 ( -13.394 -8.485 0.164) 15.856 8.209 ( 2.758 -1.761 4.629) 5.669 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -0.000 10.426 -0.654) 10.446 1.582 ( 0.000 14.226 14.326) 20.189 2.002 ( -0.000 10.158 -8.780) 13.427 2.844 ( 0.000 2.269 -0.063) 2.270 3.260 ( 0.000 17.457 5.561) 18.322 4.503 ( -0.000 -1.909 -4.023) 4.453 5.333 ( 0.000 5.905 1.277) 6.041 6.322 ( -0.000 28.026 -6.242) 28.713 6.419 ( 0.000 -5.389 1.179) 5.516 6.494 ( -0.000 -2.685 -0.476) 2.727 8.227 ( 0.000 -12.871 6.606) 14.467 8.484 ( -0.000 -5.391 -7.461) 9.205 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 1.654 11.504 -0.574) 11.636 1.784 ( 5.021 6.421 7.705) 11.216 2.126 ( 3.480 21.140 -9.077) 23.268 2.905 ( 3.358 3.094 -0.489) 4.592 3.496 ( 5.473 16.536 5.390) 18.233 4.483 ( 0.038 -0.190 -1.677) 1.688 5.443 ( 4.374 7.679 1.039) 8.898 6.352 ( -1.975 -5.520 0.750) 5.911 6.455 ( -0.961 -2.158 -0.647) 2.449 6.611 ( 7.019 18.249 -2.714) 19.740 8.090 ( -2.624 -14.690 5.583) 15.933 8.360 ( -5.487 -4.828 -7.275) 10.312 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 4.453 9.917 0.107) 10.872 1.949 ( 4.543 11.261 3.149) 12.545 2.459 ( 11.725 21.137 -2.505) 24.301 2.993 ( 3.002 4.326 -1.068) 5.373 3.758 ( 7.696 11.509 1.690) 13.948 4.487 ( 0.586 -0.028 -0.305) 0.661 5.619 ( 6.243 9.568 -0.056) 11.425 6.261 ( -2.718 -4.782 0.302) 5.508 6.423 ( -0.843 -0.750 -0.046) 1.129 6.838 ( 5.080 7.357 -1.543) 9.073 7.884 ( -6.995 -14.263 1.989) 16.010 8.212 ( -4.277 -3.242 -2.401) 5.879 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 5.427 8.482 1.412) 10.169 2.175 ( 4.617 16.275 3.682) 17.313 2.853 ( 12.631 16.908 -0.342) 21.108 3.082 ( 2.242 6.074 -1.105) 6.568 3.974 ( 8.109 5.489 -0.530) 9.806 4.485 ( 0.147 -1.742 -1.364) 2.217 5.823 ( 6.379 10.680 -0.861) 12.470 6.184 ( -1.620 -3.284 0.152) 3.665 6.417 ( -0.390 1.639 0.550) 1.772 6.907 ( 0.236 0.024 -1.907) 1.922 7.607 ( -10.758 -11.109 -0.517) 15.473 8.160 ( 1.047 -2.746 2.428) 3.812 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -0.000 12.016 -5.171) 13.081 1.792 ( -0.000 4.338 -1.163) 4.492 2.290 ( -0.000 23.560 -6.852) 24.536 2.906 ( 0.000 3.485 1.770) 3.909 3.651 ( 0.000 18.265 6.270) 19.311 4.483 ( 0.000 0.480 0.493) 0.688 5.492 ( 0.000 9.028 2.783) 9.447 6.318 ( 0.000 -5.316 0.707) 5.363 6.432 ( -0.000 -2.886 -1.545) 3.274 6.719 ( 0.000 14.695 0.584) 14.707 7.972 ( 0.000 -16.763 4.588) 17.380 8.339 ( -0.000 -3.942 -8.602) 9.462 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 1.602 10.409 -4.117) 11.308 1.910 ( 8.975 7.687 -5.467) 13.020 2.539 ( 4.375 23.011 -2.197) 23.526 2.976 ( 3.075 3.808 1.472) 5.111 3.839 ( 0.469 15.312 3.523) 15.719 4.491 ( -0.307 0.642 2.130) 2.246 5.629 ( 4.107 10.134 2.293) 11.172 6.256 ( -1.828 -4.488 0.252) 4.852 6.408 ( 0.711 -1.822 -1.388) 2.399 6.852 ( 1.857 6.867 2.257) 7.463 7.805 ( -1.676 -16.970 2.903) 17.297 8.248 ( -3.902 -1.915 -6.927) 8.178 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -0.000 12.875 -5.220) 13.892 1.840 ( -0.000 5.295 -8.647) 10.139 2.715 ( 0.000 21.282 -0.495) 21.288 2.991 ( 0.000 3.780 2.199) 4.373 3.997 ( 0.000 13.849 2.022) 13.996 4.515 ( 0.000 1.358 3.936) 4.163 5.699 ( 0.000 10.122 3.046) 10.571 6.235 ( 0.000 -3.264 0.230) 3.272 6.373 ( -0.000 -1.742 -2.069) 2.705 6.900 ( 0.000 2.998 4.524) 5.427 7.657 ( 0.000 -17.292 1.517) 17.358 8.248 ( -0.000 -0.173 -7.203) 7.205 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 -0.000 9.709) 9.709 1.134 ( 0.000 -0.000 9.709) 9.709 1.966 ( 0.000 -0.000 18.907) 18.907 2.817 ( -0.000 0.000 -2.775) 2.775 2.817 ( -0.000 0.000 -2.775) 2.775 4.754 ( -0.000 0.000 -11.750) 11.750 5.239 ( -0.000 0.000 -1.496) 1.496 5.239 ( -0.000 0.000 -1.496) 1.496 6.546 ( 0.000 -0.000 0.968) 0.968 6.546 ( 0.000 -0.000 0.968) 0.968 8.462 ( 0.000 -0.000 7.368) 7.368 8.642 ( -0.000 0.000 -5.042) 5.042 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 3.047 1.759 10.301) 10.885 1.359 ( 14.592 8.425 5.754) 17.804 1.925 ( -6.932 -4.002 9.178) 12.178 2.834 ( 1.659 0.958 -2.922) 3.494 2.957 ( 12.706 7.336 1.039) 14.708 4.578 ( -6.143 -3.547 -6.049) 9.323 5.279 ( 3.356 1.938 -2.306) 4.509 5.676 ( 30.074 17.363 -5.576) 35.172 6.520 ( -2.710 -1.564 0.114) 3.131 6.523 ( -1.912 -1.104 1.312) 2.569 8.427 ( -4.858 -2.805 7.234) 9.154 8.570 ( -5.222 -3.015 -5.528) 8.180 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 7.793 4.500 9.104) 12.801 1.732 ( 6.179 3.567 19.016) 20.311 1.830 ( 8.909 5.144 -11.602) 15.506 2.872 ( 2.512 1.450 -2.832) 4.053 3.313 ( 17.405 10.049 1.005) 20.123 4.493 ( -0.821 -0.474 -3.433) 3.561 5.374 ( 5.866 3.386 -2.930) 7.379 6.307 ( 24.975 14.419 -4.703) 29.219 6.438 ( -3.709 -2.141 -0.705) 4.340 6.473 ( -2.814 -1.625 1.647) 3.643 8.291 ( -9.619 -5.554 4.070) 11.829 8.395 ( -7.899 -4.561 -2.247) 9.394 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 10.624 6.134 7.155) 14.201 1.746 ( 0.767 0.443 9.011) 9.055 2.263 ( 21.602 12.472 -1.062) 24.967 2.926 ( 3.081 1.779 -2.573) 4.391 3.689 ( 15.921 9.192 -1.763) 18.469 4.495 ( 1.271 0.734 -2.366) 2.784 5.519 ( 7.966 4.599 -3.207) 9.741 6.323 ( -4.674 -2.698 -0.405) 5.412 6.416 ( -2.688 -1.552 1.935) 3.658 6.743 ( 13.593 7.848 -4.413) 16.305 8.006 ( -15.020 -8.672 -2.555) 17.531 8.269 ( -3.940 -2.275 6.115) 7.622 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 6.238 1.349) 6.383 1.315 ( 0.000 14.214 9.689) 17.202 1.978 ( 0.000 -5.395 4.470) 7.006 2.810 ( -0.000 1.095 -0.584) 1.241 2.960 ( 0.000 13.821 0.707) 13.840 4.565 ( -0.000 -6.678 -4.839) 8.247 5.252 ( 0.000 2.745 0.445) 2.781 5.673 ( -0.000 34.179 -5.009) 34.544 6.512 ( 0.000 -3.578 0.990) 3.712 6.536 ( -0.000 -1.640 -0.058) 1.641 8.440 ( 0.000 -6.790 6.771) 9.589 8.564 ( -0.000 -4.374 -5.892) 7.338 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 2.245 8.418 3.178) 9.274 1.628 ( 13.233 16.130 6.267) 21.784 1.878 ( -5.376 -1.829 -2.694) 6.286 2.849 ( 2.133 2.338 -0.996) 3.318 3.196 ( 9.634 15.196 1.723) 18.075 4.492 ( -1.150 -1.921 -2.255) 3.178 5.325 ( 3.692 4.631 -0.408) 5.936 6.136 ( 15.983 27.885 -2.968) 32.278 6.455 ( -2.327 -4.640 0.370) 5.204 6.502 ( -1.623 -2.010 0.129) 2.587 8.346 ( -4.061 -9.664 5.153) 11.681 8.449 ( -5.288 -5.718 -4.790) 9.143 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 6.683 8.719 3.814) 11.629 1.813 ( -1.696 3.827 3.075) 5.194 2.072 ( 17.635 17.645 0.879) 24.962 2.909 ( 1.895 3.774 -1.418) 4.455 3.529 ( 13.167 12.171 -1.437) 17.988 4.479 ( 0.580 0.278 -0.868) 1.080 5.455 ( 5.559 6.941 -1.634) 9.042 6.356 ( -3.669 -4.624 -0.155) 5.905 6.448 ( -1.915 -1.555 0.833) 2.603 6.607 ( 13.406 15.291 -1.706) 20.407 8.128 ( -10.848 -10.627 -2.010) 15.318 8.307 ( -3.511 -5.896 3.564) 7.733 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -0.000 9.215 -5.311) 10.636 1.711 ( 0.000 13.912 13.703) 19.527 1.892 ( -0.000 5.183 -14.993) 15.863 2.851 ( 0.000 2.713 1.624) 3.162 3.302 ( 0.000 19.151 3.201) 19.417 4.480 ( -0.000 -0.994 -0.640) 1.182 5.350 ( 0.000 6.399 2.278) 6.792 6.289 ( 0.000 28.940 -0.901) 28.954 6.430 ( 0.000 -5.028 1.065) 5.140 6.486 ( -0.000 -2.993 -1.135) 3.201 8.282 ( 0.000 -13.189 4.926) 14.079 8.419 ( -0.000 -6.283 -6.307) 8.903 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 -0.000 3.375) 3.375 1.194 ( 0.000 -0.000 3.375) 3.375 2.085 ( 0.000 -0.000 6.771) 6.771 2.799 ( -0.000 0.000 -1.038) 1.038 2.799 ( -0.000 0.000 -1.038) 1.038 4.678 ( -0.000 0.000 -4.409) 4.409 5.229 ( -0.000 0.000 -0.524) 0.524 5.229 ( -0.000 0.000 -0.524) 0.524 6.552 ( 0.000 -0.000 0.338) 0.338 6.552 ( 0.000 -0.000 0.338) 0.338 8.524 ( 0.000 -0.000 5.965) 5.965 8.594 ( -0.000 0.000 -5.157) 5.157 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 3.919 2.263 4.796) 6.594 1.373 ( 14.128 8.157 -2.634) 16.525 1.983 ( -8.207 -4.738 3.183) 9.996 2.814 ( 1.385 0.800 -1.390) 2.119 2.963 ( 13.159 7.597 0.106) 15.195 4.546 ( -5.528 -3.192 -0.814) 6.435 5.261 ( 2.900 1.674 -1.490) 3.665 5.650 ( 29.216 16.868 -0.131) 33.736 6.519 ( -2.943 -1.699 -0.471) 3.430 6.533 ( -1.679 -0.969 0.733) 2.072 8.480 ( -5.363 -3.096 1.769) 6.441 8.526 ( -4.635 -2.676 -1.345) 5.518 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 953.309 953.309 2751.849 -0.000 0.000 0.000 3/40500 20.0 334.382 334.382 495.901 -0.000 0.000 0.000 3/40500 30.0 142.511 142.511 130.093 -0.000 0.000 0.000 3/40500 40.0 83.951 83.951 57.096 -0.000 0.000 0.000 3/40500 50.0 56.618 56.618 33.402 -0.000 0.000 0.000 3/40500 60.0 41.324 41.324 22.822 -0.000 0.000 0.000 3/40500 70.0 31.984 31.984 17.117 -0.000 0.000 0.000 3/40500 80.0 25.890 25.890 13.642 -0.000 0.000 0.000 3/40500 90.0 21.685 21.685 11.338 -0.000 0.000 0.000 3/40500 100.0 18.644 18.644 9.709 -0.000 0.000 0.000 3/40500 110.0 16.357 16.357 8.501 -0.000 0.000 0.000 3/40500 120.0 14.580 14.580 7.571 -0.000 0.000 0.000 3/40500 130.0 13.161 13.161 6.832 -0.000 0.000 0.000 3/40500 140.0 12.003 12.003 6.230 -0.000 0.000 0.000 3/40500 150.0 11.040 11.040 5.731 -0.000 0.000 0.000 3/40500 160.0 10.226 10.226 5.309 -0.000 0.000 0.000 3/40500 170.0 9.528 9.528 4.948 -0.000 0.000 0.000 3/40500 180.0 8.923 8.923 4.635 -0.000 0.000 0.000 3/40500 190.0 8.393 8.393 4.361 -0.000 0.000 0.000 3/40500 200.0 7.925 7.925 4.119 -0.000 0.000 0.000 3/40500 210.0 7.508 7.508 3.903 -0.000 0.000 0.000 3/40500 220.0 7.135 7.135 3.710 -0.000 0.000 0.000 3/40500 230.0 6.798 6.798 3.535 -0.000 0.000 0.000 3/40500 240.0 6.492 6.492 3.377 -0.000 0.000 0.000 3/40500 250.0 6.214 6.214 3.232 -0.000 0.000 0.000 3/40500 260.0 5.959 5.959 3.100 -0.000 0.000 0.000 3/40500 270.0 5.725 5.725 2.979 -0.000 0.000 0.000 3/40500 280.0 5.509 5.509 2.867 -0.000 0.000 0.000 3/40500 290.0 5.309 5.309 2.763 -0.000 0.000 0.000 3/40500 300.0 5.123 5.123 2.667 -0.000 0.000 0.000 3/40500 310.0 4.950 4.950 2.577 -0.000 0.000 0.000 3/40500 320.0 4.789 4.789 2.493 -0.000 0.000 0.000 3/40500 330.0 4.638 4.638 2.415 -0.000 0.000 0.000 3/40500 340.0 4.497 4.497 2.341 -0.000 0.000 0.000 3/40500 350.0 4.364 4.364 2.272 -0.000 0.000 0.000 3/40500 360.0 4.239 4.239 2.207 -0.000 0.000 0.000 3/40500 370.0 4.121 4.121 2.146 -0.000 0.000 0.000 3/40500 380.0 4.009 4.009 2.088 -0.000 0.000 0.000 3/40500 390.0 3.904 3.904 2.033 -0.000 0.000 0.000 3/40500 400.0 3.804 3.804 1.981 -0.000 0.000 0.000 3/40500 410.0 3.709 3.709 1.932 -0.000 0.000 0.000 3/40500 420.0 3.619 3.619 1.885 -0.000 0.000 0.000 3/40500 430.0 3.533 3.533 1.840 -0.000 0.000 0.000 3/40500 440.0 3.451 3.451 1.797 -0.000 0.000 0.000 3/40500 450.0 3.373 3.373 1.757 -0.000 0.000 0.000 3/40500 460.0 3.298 3.298 1.718 -0.000 0.000 0.000 3/40500 470.0 3.227 3.227 1.681 -0.000 0.000 0.000 3/40500 480.0 3.158 3.158 1.645 -0.000 0.000 0.000 3/40500 490.0 3.093 3.093 1.611 -0.000 0.000 0.000 3/40500 500.0 3.030 3.030 1.578 -0.000 0.000 0.000 3/40500 510.0 2.970 2.970 1.547 -0.000 0.000 0.000 3/40500 520.0 2.912 2.912 1.517 -0.000 0.000 0.000 3/40500 530.0 2.856 2.856 1.488 -0.000 0.000 0.000 3/40500 540.0 2.803 2.803 1.460 -0.000 0.000 0.000 3/40500 550.0 2.751 2.751 1.433 -0.000 0.000 0.000 3/40500 560.0 2.701 2.701 1.407 -0.000 0.000 0.000 3/40500 570.0 2.654 2.654 1.382 -0.000 0.000 0.000 3/40500 580.0 2.607 2.607 1.358 -0.000 0.000 0.000 3/40500 590.0 2.563 2.563 1.335 -0.000 0.000 0.000 3/40500 600.0 2.520 2.520 1.313 -0.000 0.000 0.000 3/40500 610.0 2.478 2.478 1.291 -0.000 0.000 0.000 3/40500 620.0 2.438 2.438 1.270 -0.000 0.000 0.000 3/40500 630.0 2.399 2.399 1.250 -0.000 0.000 0.000 3/40500 640.0 2.361 2.361 1.230 -0.000 0.000 0.000 3/40500 650.0 2.324 2.324 1.211 -0.000 0.000 0.000 3/40500 660.0 2.289 2.289 1.192 -0.000 0.000 0.000 3/40500 670.0 2.254 2.254 1.174 -0.000 0.000 0.000 3/40500 680.0 2.221 2.221 1.157 -0.000 0.000 0.000 3/40500 690.0 2.189 2.189 1.140 -0.000 0.000 0.000 3/40500 700.0 2.157 2.157 1.124 -0.000 0.000 0.000 3/40500 710.0 2.127 2.127 1.108 -0.000 0.000 0.000 3/40500 720.0 2.097 2.097 1.092 -0.000 0.000 0.000 3/40500 730.0 2.068 2.068 1.077 -0.000 0.000 0.000 3/40500 740.0 2.040 2.040 1.063 -0.000 0.000 0.000 3/40500 750.0 2.013 2.013 1.049 -0.000 0.000 0.000 3/40500 760.0 1.986 1.986 1.035 -0.000 0.000 0.000 3/40500 770.0 1.960 1.960 1.021 -0.000 0.000 0.000 3/40500 780.0 1.935 1.935 1.008 -0.000 0.000 0.000 3/40500 790.0 1.910 1.910 0.995 -0.000 0.000 0.000 3/40500 800.0 1.886 1.886 0.983 -0.000 0.000 0.000 3/40500 810.0 1.863 1.863 0.970 -0.000 0.000 0.000 3/40500 820.0 1.840 1.840 0.959 -0.000 0.000 0.000 3/40500 830.0 1.818 1.818 0.947 -0.000 0.000 0.000 3/40500 840.0 1.796 1.796 0.936 -0.000 0.000 0.000 3/40500 850.0 1.775 1.775 0.925 -0.000 0.000 0.000 3/40500 860.0 1.754 1.754 0.914 -0.000 0.000 0.000 3/40500 870.0 1.734 1.734 0.903 -0.000 0.000 0.000 3/40500 880.0 1.714 1.714 0.893 -0.000 0.000 0.000 3/40500 890.0 1.695 1.695 0.883 -0.000 0.000 0.000 3/40500 900.0 1.676 1.676 0.873 -0.000 0.000 0.000 3/40500 910.0 1.658 1.658 0.864 -0.000 0.000 0.000 3/40500 920.0 1.639 1.639 0.854 -0.000 0.000 0.000 3/40500 930.0 1.622 1.622 0.845 -0.000 0.000 0.000 3/40500 940.0 1.605 1.605 0.836 -0.000 0.000 0.000 3/40500 950.0 1.588 1.588 0.827 -0.000 0.000 0.000 3/40500 960.0 1.571 1.571 0.818 -0.000 0.000 0.000 3/40500 970.0 1.555 1.555 0.810 -0.000 0.000 0.000 3/40500 980.0 1.539 1.539 0.802 -0.000 0.000 0.000 3/40500 990.0 1.523 1.523 0.794 -0.000 0.000 0.000 3/40500 1000.0 1.508 1.508 0.786 -0.000 0.000 0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:42:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|