----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:15:49]------------------------- 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 1.831300478855707 1.057301824434431 6.811633733333326 b -1.831300478855703 1.057301824434431 6.811633733333326 c 0.000000000000002 -2.114603648868865 6.811633733333326 Atomic positions (fractional): *1 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 *2 Ca 0.77408005408419 0.77408005408419 0.77408005408419 40.078 3 Ca 0.22591994591581 0.22591994591581 0.22591994591581 40.078 *4 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.662600957711410 0.000000000000000 0.000000000000000 b -1.831300478855705 3.171905473303295 0.000000000000000 c 0.000000000000000 0.000000000000000 20.434901199999999 Atomic positions (fractional): *1 N 0.33333333333333 0.66666666666667 0.16666666666667 14.007 > 1 2 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 3 N 0.66666666666667 0.33333333333333 0.83333333333333 14.007 > 1 *4 Ca 0.66666666666667 0.33333333333333 0.10741338741752 40.078 > 2 5 Ca 0.00000000000000 0.00000000000000 0.22591994591581 40.078 > 3 6 Ca 0.33333333333333 0.66666666666667 0.44074672075085 40.078 > 2 7 Ca 0.66666666666667 0.33333333333333 0.55925327924915 40.078 > 3 8 Ca 0.00000000000000 0.00000000000000 0.77408005408419 40.078 > 2 9 Ca 0.33333333333333 0.66666666666667 0.89258661258248 40.078 > 3 *10 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 4 11 Br 0.66666666666667 0.33333333333333 0.33333333333333 79.904 > 4 12 Br 0.33333333333333 0.66666666666667 0.66666666666667 79.904 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.987802873134230 0.000000000000000 0.000000000000000 b -5.493901436567115 9.515716419909886 0.000000000000000 c 0.000000000000000 0.000000000000000 20.434901199999999 Atomic positions (fractional): *1 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 1 2 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 1 3 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 1 4 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 1 5 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 1 6 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 1 7 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 1 8 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 1 9 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 1 10 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 11 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 1 12 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 1 13 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 1 14 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 1 15 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 1 16 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 1 17 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 1 18 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 1 19 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 1 20 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 1 21 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 1 22 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 1 23 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 1 24 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 1 25 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 1 26 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 1 27 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 1 *28 Ca 0.22222222222222 0.11111111111111 0.10741338741752 40.078 > 2 29 Ca 0.55555555555556 0.11111111111111 0.10741338741752 40.078 > 2 30 Ca 0.88888888888889 0.11111111111111 0.10741338741752 40.078 > 2 31 Ca 0.22222222222222 0.44444444444444 0.10741338741752 40.078 > 2 32 Ca 0.55555555555556 0.44444444444444 0.10741338741752 40.078 > 2 33 Ca 0.88888888888889 0.44444444444444 0.10741338741752 40.078 > 2 34 Ca 0.22222222222222 0.77777777777778 0.10741338741752 40.078 > 2 35 Ca 0.55555555555556 0.77777777777778 0.10741338741752 40.078 > 2 36 Ca 0.88888888888889 0.77777777777778 0.10741338741752 40.078 > 2 37 Ca 0.00000000000000 0.00000000000000 0.22591994591581 40.078 > 3 38 Ca 0.33333333333333 0.00000000000000 0.22591994591581 40.078 > 3 39 Ca 0.66666666666667 0.00000000000000 0.22591994591581 40.078 > 3 40 Ca 0.00000000000000 0.33333333333333 0.22591994591581 40.078 > 3 41 Ca 0.33333333333333 0.33333333333333 0.22591994591581 40.078 > 3 42 Ca 0.66666666666667 0.33333333333333 0.22591994591581 40.078 > 3 43 Ca 0.00000000000000 0.66666666666667 0.22591994591581 40.078 > 3 44 Ca 0.33333333333333 0.66666666666667 0.22591994591581 40.078 > 3 45 Ca 0.66666666666667 0.66666666666667 0.22591994591581 40.078 > 3 46 Ca 0.11111111111111 0.22222222222222 0.44074672075085 40.078 > 2 47 Ca 0.44444444444444 0.22222222222222 0.44074672075085 40.078 > 2 48 Ca 0.77777777777778 0.22222222222222 0.44074672075085 40.078 > 2 49 Ca 0.11111111111111 0.55555555555556 0.44074672075085 40.078 > 2 50 Ca 0.44444444444444 0.55555555555556 0.44074672075085 40.078 > 2 51 Ca 0.77777777777778 0.55555555555556 0.44074672075085 40.078 > 2 52 Ca 0.11111111111111 0.88888888888889 0.44074672075085 40.078 > 2 53 Ca 0.44444444444444 0.88888888888889 0.44074672075085 40.078 > 2 54 Ca 0.77777777777778 0.88888888888889 0.44074672075085 40.078 > 2 55 Ca 0.22222222222222 0.11111111111111 0.55925327924915 40.078 > 3 56 Ca 0.55555555555556 0.11111111111111 0.55925327924915 40.078 > 3 57 Ca 0.88888888888889 0.11111111111111 0.55925327924915 40.078 > 3 58 Ca 0.22222222222222 0.44444444444444 0.55925327924915 40.078 > 3 59 Ca 0.55555555555556 0.44444444444444 0.55925327924915 40.078 > 3 60 Ca 0.88888888888889 0.44444444444444 0.55925327924915 40.078 > 3 61 Ca 0.22222222222222 0.77777777777778 0.55925327924915 40.078 > 3 62 Ca 0.55555555555556 0.77777777777778 0.55925327924915 40.078 > 3 63 Ca 0.88888888888889 0.77777777777778 0.55925327924915 40.078 > 3 64 Ca 0.00000000000000 0.00000000000000 0.77408005408419 40.078 > 2 65 Ca 0.33333333333333 0.00000000000000 0.77408005408419 40.078 > 2 66 Ca 0.66666666666667 0.00000000000000 0.77408005408419 40.078 > 2 67 Ca 0.00000000000000 0.33333333333333 0.77408005408419 40.078 > 2 68 Ca 0.33333333333333 0.33333333333333 0.77408005408419 40.078 > 2 69 Ca 0.66666666666667 0.33333333333333 0.77408005408419 40.078 > 2 70 Ca 0.00000000000000 0.66666666666667 0.77408005408419 40.078 > 2 71 Ca 0.33333333333333 0.66666666666667 0.77408005408419 40.078 > 2 72 Ca 0.66666666666667 0.66666666666667 0.77408005408419 40.078 > 2 73 Ca 0.11111111111111 0.22222222222222 0.89258661258248 40.078 > 3 74 Ca 0.44444444444444 0.22222222222222 0.89258661258248 40.078 > 3 75 Ca 0.77777777777778 0.22222222222222 0.89258661258248 40.078 > 3 76 Ca 0.11111111111111 0.55555555555556 0.89258661258248 40.078 > 3 77 Ca 0.44444444444444 0.55555555555556 0.89258661258248 40.078 > 3 78 Ca 0.77777777777778 0.55555555555556 0.89258661258248 40.078 > 3 79 Ca 0.11111111111111 0.88888888888889 0.89258661258248 40.078 > 3 80 Ca 0.44444444444444 0.88888888888889 0.89258661258248 40.078 > 3 81 Ca 0.77777777777778 0.88888888888889 0.89258661258248 40.078 > 3 *82 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 4 83 Br 0.33333333333333 0.00000000000000 0.00000000000000 79.904 > 4 84 Br 0.66666666666667 0.00000000000000 0.00000000000000 79.904 > 4 85 Br 0.00000000000000 0.33333333333333 0.00000000000000 79.904 > 4 86 Br 0.33333333333333 0.33333333333333 0.00000000000000 79.904 > 4 87 Br 0.66666666666667 0.33333333333333 0.00000000000000 79.904 > 4 88 Br 0.00000000000000 0.66666666666667 0.00000000000000 79.904 > 4 89 Br 0.33333333333333 0.66666666666667 0.00000000000000 79.904 > 4 90 Br 0.66666666666667 0.66666666666667 0.00000000000000 79.904 > 4 91 Br 0.22222222222222 0.11111111111111 0.33333333333333 79.904 > 4 92 Br 0.55555555555556 0.11111111111111 0.33333333333333 79.904 > 4 93 Br 0.88888888888889 0.11111111111111 0.33333333333333 79.904 > 4 94 Br 0.22222222222222 0.44444444444444 0.33333333333333 79.904 > 4 95 Br 0.55555555555556 0.44444444444444 0.33333333333333 79.904 > 4 96 Br 0.88888888888889 0.44444444444444 0.33333333333333 79.904 > 4 97 Br 0.22222222222222 0.77777777777778 0.33333333333333 79.904 > 4 98 Br 0.55555555555556 0.77777777777778 0.33333333333333 79.904 > 4 99 Br 0.88888888888889 0.77777777777778 0.33333333333333 79.904 > 4 100 Br 0.11111111111111 0.22222222222222 0.66666666666667 79.904 > 4 101 Br 0.44444444444444 0.22222222222222 0.66666666666667 79.904 > 4 102 Br 0.77777777777778 0.22222222222222 0.66666666666667 79.904 > 4 103 Br 0.11111111111111 0.55555555555556 0.66666666666667 79.904 > 4 104 Br 0.44444444444444 0.55555555555556 0.66666666666667 79.904 > 4 105 Br 0.77777777777778 0.55555555555556 0.66666666666667 79.904 > 4 106 Br 0.11111111111111 0.88888888888889 0.66666666666667 79.904 > 4 107 Br 0.44444444444444 0.88888888888889 0.66666666666667 79.904 > 4 108 Br 0.77777777777778 0.88888888888889 0.66666666666667 79.904 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1980374 0.0000000 0.0000000 0.0000000 5.1980374 0.0000000 0.0000000 0.0000000 5.0011341 -------------------------- Born effective charges -------------------------- 1 N -3.4312995 -0.0000000 0.0000000 0.0000000 -3.4312995 0.0000000 0.0000000 0.0000000 -2.3974678 2 Ca 2.3096501 0.0000000 0.0000000 0.0000000 2.3096501 0.0000000 0.0000000 0.0000000 2.0686026 3 Ca 2.3096501 0.0000000 0.0000000 0.0000000 2.3096501 0.0000000 0.0000000 0.0000000 2.0686026 4 Br -1.1880007 0.0000000 0.0000000 0.0000000 -1.1880007 0.0000000 0.0000000 0.0000000 -1.7397374 ---------------------------------------------------------------------------- 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): 0.006 Solver_block: 80 / 80 - Time: 0.120 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 (zz) 0.00000000 (zz) 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:15:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:15:53]------------------------- 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 1.831300478855707 1.057301824434431 6.811633733333326 b -1.831300478855703 1.057301824434431 6.811633733333326 c 0.000000000000002 -2.114603648868865 6.811633733333326 Atomic positions (fractional): 1 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 2 Ca 0.77408005408419 0.77408005408419 0.77408005408419 40.078 3 Ca 0.22591994591581 0.22591994591581 0.22591994591581 40.078 4 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.987802873134230 0.000000000000000 0.000000000000000 b -5.493901436567115 9.515716419909886 0.000000000000000 c 0.000000000000000 0.000000000000000 20.434901199999999 Atomic positions (fractional): 1 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 1 2 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 1 3 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 1 4 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 1 5 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 1 6 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 1 7 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 1 8 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 1 9 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 1 10 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 11 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 1 12 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 1 13 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 1 14 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 1 15 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 1 16 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 1 17 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 1 18 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 1 19 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 1 20 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 1 21 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 1 22 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 1 23 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 1 24 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 1 25 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 1 26 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 1 27 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 1 28 Ca 0.22222222222222 0.11111111111111 0.10741338741752 40.078 > 28 29 Ca 0.55555555555556 0.11111111111111 0.10741338741752 40.078 > 28 30 Ca 0.88888888888889 0.11111111111111 0.10741338741752 40.078 > 28 31 Ca 0.22222222222222 0.44444444444444 0.10741338741752 40.078 > 28 32 Ca 0.55555555555556 0.44444444444444 0.10741338741752 40.078 > 28 33 Ca 0.88888888888889 0.44444444444444 0.10741338741752 40.078 > 28 34 Ca 0.22222222222222 0.77777777777778 0.10741338741752 40.078 > 28 35 Ca 0.55555555555556 0.77777777777778 0.10741338741752 40.078 > 28 36 Ca 0.88888888888889 0.77777777777778 0.10741338741752 40.078 > 28 37 Ca 0.00000000000000 0.00000000000000 0.22591994591581 40.078 > 37 38 Ca 0.33333333333333 0.00000000000000 0.22591994591581 40.078 > 37 39 Ca 0.66666666666667 0.00000000000000 0.22591994591581 40.078 > 37 40 Ca 0.00000000000000 0.33333333333333 0.22591994591581 40.078 > 37 41 Ca 0.33333333333333 0.33333333333333 0.22591994591581 40.078 > 37 42 Ca 0.66666666666667 0.33333333333333 0.22591994591581 40.078 > 37 43 Ca 0.00000000000000 0.66666666666667 0.22591994591581 40.078 > 37 44 Ca 0.33333333333333 0.66666666666667 0.22591994591581 40.078 > 37 45 Ca 0.66666666666667 0.66666666666667 0.22591994591581 40.078 > 37 46 Ca 0.11111111111111 0.22222222222222 0.44074672075085 40.078 > 28 47 Ca 0.44444444444444 0.22222222222222 0.44074672075085 40.078 > 28 48 Ca 0.77777777777778 0.22222222222222 0.44074672075085 40.078 > 28 49 Ca 0.11111111111111 0.55555555555556 0.44074672075085 40.078 > 28 50 Ca 0.44444444444444 0.55555555555556 0.44074672075085 40.078 > 28 51 Ca 0.77777777777778 0.55555555555556 0.44074672075085 40.078 > 28 52 Ca 0.11111111111111 0.88888888888889 0.44074672075085 40.078 > 28 53 Ca 0.44444444444444 0.88888888888889 0.44074672075085 40.078 > 28 54 Ca 0.77777777777778 0.88888888888889 0.44074672075085 40.078 > 28 55 Ca 0.22222222222222 0.11111111111111 0.55925327924915 40.078 > 37 56 Ca 0.55555555555556 0.11111111111111 0.55925327924915 40.078 > 37 57 Ca 0.88888888888889 0.11111111111111 0.55925327924915 40.078 > 37 58 Ca 0.22222222222222 0.44444444444444 0.55925327924915 40.078 > 37 59 Ca 0.55555555555556 0.44444444444444 0.55925327924915 40.078 > 37 60 Ca 0.88888888888889 0.44444444444444 0.55925327924915 40.078 > 37 61 Ca 0.22222222222222 0.77777777777778 0.55925327924915 40.078 > 37 62 Ca 0.55555555555556 0.77777777777778 0.55925327924915 40.078 > 37 63 Ca 0.88888888888889 0.77777777777778 0.55925327924915 40.078 > 37 64 Ca 0.00000000000000 0.00000000000000 0.77408005408419 40.078 > 28 65 Ca 0.33333333333333 0.00000000000000 0.77408005408419 40.078 > 28 66 Ca 0.66666666666667 0.00000000000000 0.77408005408419 40.078 > 28 67 Ca 0.00000000000000 0.33333333333333 0.77408005408419 40.078 > 28 68 Ca 0.33333333333333 0.33333333333333 0.77408005408419 40.078 > 28 69 Ca 0.66666666666667 0.33333333333333 0.77408005408419 40.078 > 28 70 Ca 0.00000000000000 0.66666666666667 0.77408005408419 40.078 > 28 71 Ca 0.33333333333333 0.66666666666667 0.77408005408419 40.078 > 28 72 Ca 0.66666666666667 0.66666666666667 0.77408005408419 40.078 > 28 73 Ca 0.11111111111111 0.22222222222222 0.89258661258248 40.078 > 37 74 Ca 0.44444444444444 0.22222222222222 0.89258661258248 40.078 > 37 75 Ca 0.77777777777778 0.22222222222222 0.89258661258248 40.078 > 37 76 Ca 0.11111111111111 0.55555555555556 0.89258661258248 40.078 > 37 77 Ca 0.44444444444444 0.55555555555556 0.89258661258248 40.078 > 37 78 Ca 0.77777777777778 0.55555555555556 0.89258661258248 40.078 > 37 79 Ca 0.11111111111111 0.88888888888889 0.89258661258248 40.078 > 37 80 Ca 0.44444444444444 0.88888888888889 0.89258661258248 40.078 > 37 81 Ca 0.77777777777778 0.88888888888889 0.89258661258248 40.078 > 37 82 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 82 83 Br 0.33333333333333 0.00000000000000 0.00000000000000 79.904 > 82 84 Br 0.66666666666667 0.00000000000000 0.00000000000000 79.904 > 82 85 Br 0.00000000000000 0.33333333333333 0.00000000000000 79.904 > 82 86 Br 0.33333333333333 0.33333333333333 0.00000000000000 79.904 > 82 87 Br 0.66666666666667 0.33333333333333 0.00000000000000 79.904 > 82 88 Br 0.00000000000000 0.66666666666667 0.00000000000000 79.904 > 82 89 Br 0.33333333333333 0.66666666666667 0.00000000000000 79.904 > 82 90 Br 0.66666666666667 0.66666666666667 0.00000000000000 79.904 > 82 91 Br 0.22222222222222 0.11111111111111 0.33333333333333 79.904 > 82 92 Br 0.55555555555556 0.11111111111111 0.33333333333333 79.904 > 82 93 Br 0.88888888888889 0.11111111111111 0.33333333333333 79.904 > 82 94 Br 0.22222222222222 0.44444444444444 0.33333333333333 79.904 > 82 95 Br 0.55555555555556 0.44444444444444 0.33333333333333 79.904 > 82 96 Br 0.88888888888889 0.44444444444444 0.33333333333333 79.904 > 82 97 Br 0.22222222222222 0.77777777777778 0.33333333333333 79.904 > 82 98 Br 0.55555555555556 0.77777777777778 0.33333333333333 79.904 > 82 99 Br 0.88888888888889 0.77777777777778 0.33333333333333 79.904 > 82 100 Br 0.11111111111111 0.22222222222222 0.66666666666667 79.904 > 82 101 Br 0.44444444444444 0.22222222222222 0.66666666666667 79.904 > 82 102 Br 0.77777777777778 0.22222222222222 0.66666666666667 79.904 > 82 103 Br 0.11111111111111 0.55555555555556 0.66666666666667 79.904 > 82 104 Br 0.44444444444444 0.55555555555556 0.66666666666667 79.904 > 82 105 Br 0.77777777777778 0.55555555555556 0.66666666666667 79.904 > 82 106 Br 0.11111111111111 0.88888888888889 0.66666666666667 79.904 > 82 107 Br 0.44444444444444 0.88888888888889 0.66666666666667 79.904 > 82 108 Br 0.77777777777778 0.88888888888889 0.66666666666667 79.904 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1980374 0.0000000 0.0000000 0.0000000 5.1980374 0.0000000 0.0000000 0.0000000 5.0011341 -------------------------- Born effective charges -------------------------- 1 N -3.4312995 -0.0000000 0.0000000 0.0000000 -3.4312995 0.0000000 0.0000000 0.0000000 -2.3974678 2 Ca 2.3096501 0.0000000 0.0000000 0.0000000 2.3096501 0.0000000 0.0000000 0.0000000 2.0686026 3 Ca 2.3096501 0.0000000 0.0000000 0.0000000 2.3096501 0.0000000 0.0000000 0.0000000 2.0686026 4 Br -1.1880007 0.0000000 0.0000000 0.0000000 -1.1880007 0.0000000 0.0000000 0.0000000 -1.7397374 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zyy) -0.00000000 (zyy) -0.00000000 (zyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:15:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:15:57]------------------------- 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 1.831300478855707 1.057301824434431 6.811633733333326 b -1.831300478855703 1.057301824434431 6.811633733333326 c 0.000000000000002 -2.114603648868865 6.811633733333326 Atomic positions (fractional): 1 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 2 Ca 0.77408005408419 0.77408005408419 0.77408005408419 40.078 3 Ca 0.22591994591581 0.22591994591581 0.22591994591581 40.078 4 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.987802873134230 0.000000000000000 0.000000000000000 b -5.493901436567115 9.515716419909886 0.000000000000000 c 0.000000000000000 0.000000000000000 20.434901199999999 Atomic positions (fractional): 1 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 1 2 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 1 3 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 1 4 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 1 5 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 1 6 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 1 7 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 1 8 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 1 9 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 1 10 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 11 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 1 12 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 1 13 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 1 14 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 1 15 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 1 16 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 1 17 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 1 18 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 1 19 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 1 20 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 1 21 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 1 22 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 1 23 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 1 24 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 1 25 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 1 26 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 1 27 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 1 28 Ca 0.22222222222222 0.11111111111111 0.10741338741752 40.078 > 28 29 Ca 0.55555555555556 0.11111111111111 0.10741338741752 40.078 > 28 30 Ca 0.88888888888889 0.11111111111111 0.10741338741752 40.078 > 28 31 Ca 0.22222222222222 0.44444444444444 0.10741338741752 40.078 > 28 32 Ca 0.55555555555556 0.44444444444444 0.10741338741752 40.078 > 28 33 Ca 0.88888888888889 0.44444444444444 0.10741338741752 40.078 > 28 34 Ca 0.22222222222222 0.77777777777778 0.10741338741752 40.078 > 28 35 Ca 0.55555555555556 0.77777777777778 0.10741338741752 40.078 > 28 36 Ca 0.88888888888889 0.77777777777778 0.10741338741752 40.078 > 28 37 Ca 0.00000000000000 0.00000000000000 0.22591994591581 40.078 > 37 38 Ca 0.33333333333333 0.00000000000000 0.22591994591581 40.078 > 37 39 Ca 0.66666666666667 0.00000000000000 0.22591994591581 40.078 > 37 40 Ca 0.00000000000000 0.33333333333333 0.22591994591581 40.078 > 37 41 Ca 0.33333333333333 0.33333333333333 0.22591994591581 40.078 > 37 42 Ca 0.66666666666667 0.33333333333333 0.22591994591581 40.078 > 37 43 Ca 0.00000000000000 0.66666666666667 0.22591994591581 40.078 > 37 44 Ca 0.33333333333333 0.66666666666667 0.22591994591581 40.078 > 37 45 Ca 0.66666666666667 0.66666666666667 0.22591994591581 40.078 > 37 46 Ca 0.11111111111111 0.22222222222222 0.44074672075085 40.078 > 28 47 Ca 0.44444444444444 0.22222222222222 0.44074672075085 40.078 > 28 48 Ca 0.77777777777778 0.22222222222222 0.44074672075085 40.078 > 28 49 Ca 0.11111111111111 0.55555555555556 0.44074672075085 40.078 > 28 50 Ca 0.44444444444444 0.55555555555556 0.44074672075085 40.078 > 28 51 Ca 0.77777777777778 0.55555555555556 0.44074672075085 40.078 > 28 52 Ca 0.11111111111111 0.88888888888889 0.44074672075085 40.078 > 28 53 Ca 0.44444444444444 0.88888888888889 0.44074672075085 40.078 > 28 54 Ca 0.77777777777778 0.88888888888889 0.44074672075085 40.078 > 28 55 Ca 0.22222222222222 0.11111111111111 0.55925327924915 40.078 > 37 56 Ca 0.55555555555556 0.11111111111111 0.55925327924915 40.078 > 37 57 Ca 0.88888888888889 0.11111111111111 0.55925327924915 40.078 > 37 58 Ca 0.22222222222222 0.44444444444444 0.55925327924915 40.078 > 37 59 Ca 0.55555555555556 0.44444444444444 0.55925327924915 40.078 > 37 60 Ca 0.88888888888889 0.44444444444444 0.55925327924915 40.078 > 37 61 Ca 0.22222222222222 0.77777777777778 0.55925327924915 40.078 > 37 62 Ca 0.55555555555556 0.77777777777778 0.55925327924915 40.078 > 37 63 Ca 0.88888888888889 0.77777777777778 0.55925327924915 40.078 > 37 64 Ca 0.00000000000000 0.00000000000000 0.77408005408419 40.078 > 28 65 Ca 0.33333333333333 0.00000000000000 0.77408005408419 40.078 > 28 66 Ca 0.66666666666667 0.00000000000000 0.77408005408419 40.078 > 28 67 Ca 0.00000000000000 0.33333333333333 0.77408005408419 40.078 > 28 68 Ca 0.33333333333333 0.33333333333333 0.77408005408419 40.078 > 28 69 Ca 0.66666666666667 0.33333333333333 0.77408005408419 40.078 > 28 70 Ca 0.00000000000000 0.66666666666667 0.77408005408419 40.078 > 28 71 Ca 0.33333333333333 0.66666666666667 0.77408005408419 40.078 > 28 72 Ca 0.66666666666667 0.66666666666667 0.77408005408419 40.078 > 28 73 Ca 0.11111111111111 0.22222222222222 0.89258661258248 40.078 > 37 74 Ca 0.44444444444444 0.22222222222222 0.89258661258248 40.078 > 37 75 Ca 0.77777777777778 0.22222222222222 0.89258661258248 40.078 > 37 76 Ca 0.11111111111111 0.55555555555556 0.89258661258248 40.078 > 37 77 Ca 0.44444444444444 0.55555555555556 0.89258661258248 40.078 > 37 78 Ca 0.77777777777778 0.55555555555556 0.89258661258248 40.078 > 37 79 Ca 0.11111111111111 0.88888888888889 0.89258661258248 40.078 > 37 80 Ca 0.44444444444444 0.88888888888889 0.89258661258248 40.078 > 37 81 Ca 0.77777777777778 0.88888888888889 0.89258661258248 40.078 > 37 82 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 82 83 Br 0.33333333333333 0.00000000000000 0.00000000000000 79.904 > 82 84 Br 0.66666666666667 0.00000000000000 0.00000000000000 79.904 > 82 85 Br 0.00000000000000 0.33333333333333 0.00000000000000 79.904 > 82 86 Br 0.33333333333333 0.33333333333333 0.00000000000000 79.904 > 82 87 Br 0.66666666666667 0.33333333333333 0.00000000000000 79.904 > 82 88 Br 0.00000000000000 0.66666666666667 0.00000000000000 79.904 > 82 89 Br 0.33333333333333 0.66666666666667 0.00000000000000 79.904 > 82 90 Br 0.66666666666667 0.66666666666667 0.00000000000000 79.904 > 82 91 Br 0.22222222222222 0.11111111111111 0.33333333333333 79.904 > 82 92 Br 0.55555555555556 0.11111111111111 0.33333333333333 79.904 > 82 93 Br 0.88888888888889 0.11111111111111 0.33333333333333 79.904 > 82 94 Br 0.22222222222222 0.44444444444444 0.33333333333333 79.904 > 82 95 Br 0.55555555555556 0.44444444444444 0.33333333333333 79.904 > 82 96 Br 0.88888888888889 0.44444444444444 0.33333333333333 79.904 > 82 97 Br 0.22222222222222 0.77777777777778 0.33333333333333 79.904 > 82 98 Br 0.55555555555556 0.77777777777778 0.33333333333333 79.904 > 82 99 Br 0.88888888888889 0.77777777777778 0.33333333333333 79.904 > 82 100 Br 0.11111111111111 0.22222222222222 0.66666666666667 79.904 > 82 101 Br 0.44444444444444 0.22222222222222 0.66666666666667 79.904 > 82 102 Br 0.77777777777778 0.22222222222222 0.66666666666667 79.904 > 82 103 Br 0.11111111111111 0.55555555555556 0.66666666666667 79.904 > 82 104 Br 0.44444444444444 0.55555555555556 0.66666666666667 79.904 > 82 105 Br 0.77777777777778 0.55555555555556 0.66666666666667 79.904 > 82 106 Br 0.11111111111111 0.88888888888889 0.66666666666667 79.904 > 82 107 Br 0.44444444444444 0.88888888888889 0.66666666666667 79.904 > 82 108 Br 0.77777777777778 0.88888888888889 0.66666666666667 79.904 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1980374 0.0000000 0.0000000 0.0000000 5.1980374 0.0000000 0.0000000 0.0000000 5.0011341 -------------------------- Born effective charges -------------------------- 1 N -3.4312995 -0.0000000 0.0000000 0.0000000 -3.4312995 0.0000000 0.0000000 0.0000000 -2.3974678 2 Ca 2.3096501 0.0000000 0.0000000 0.0000000 2.3096501 0.0000000 0.0000000 0.0000000 2.0686026 3 Ca 2.3096501 0.0000000 0.0000000 0.0000000 2.3096501 0.0000000 0.0000000 0.0000000 2.0686026 4 Br -1.1880007 0.0000000 0.0000000 0.0000000 -1.1880007 0.0000000 0.0000000 0.0000000 -1.7397374 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zyy) -0.00000000 (zyy) -0.00000000 (zyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 16 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.97, Number of G-points: 313, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 8.954 ( 0.000 0.000 0.000) 0.000 8.954 ( 0.000 0.000 0.000) 0.000 9.474 ( 0.000 0.000 0.000) 0.000 12.347 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 24.792 14.314 2.545) 28.741 0.607 ( 26.519 15.311 -1.094) 30.641 1.148 ( 46.290 26.726 11.203) 54.613 2.981 ( 4.075 2.352 0.628) 4.747 3.371 ( 15.285 8.825 -6.056) 18.660 4.464 ( -5.843 -3.373 5.198) 8.517 5.327 ( 1.823 1.053 0.070) 2.107 5.456 ( 11.734 6.775 2.296) 13.743 8.945 ( -0.772 -0.446 0.306) 0.942 9.381 ( -7.778 -4.491 -1.812) 9.163 12.212 ( 0.413 0.238 -37.512) 37.515 14.134 ( -2.585 -1.492 7.370) 7.951 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 25.604 14.782 -0.335) 29.567 1.190 ( 24.735 14.281 -1.102) 28.583 2.115 ( 34.936 20.170 10.111) 41.589 3.127 ( 8.580 4.954 1.277) 9.989 3.869 ( 29.702 17.148 -5.580) 34.748 4.344 ( -4.716 -2.723 0.254) 5.452 5.385 ( 3.115 1.799 0.046) 3.598 5.801 ( 17.064 9.852 2.843) 19.907 8.925 ( -0.950 -0.549 0.450) 1.186 9.125 ( -13.626 -7.867 -2.542) 15.938 12.036 ( -10.999 -6.350 -0.621) 12.715 14.090 ( -0.585 -0.337 -11.214) 11.234 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 20.804 12.011 -1.237) 24.054 1.725 ( 25.729 14.855 -3.603) 29.927 2.794 ( 22.935 13.242 7.146) 27.431 3.382 ( 13.469 7.776 1.768) 15.653 4.250 ( -1.436 -0.829 -0.545) 1.746 4.653 ( 36.818 21.257 -4.658) 42.768 5.463 ( 3.618 2.089 -0.021) 4.178 6.226 ( 19.270 11.126 2.582) 22.401 8.771 ( -16.322 -9.424 -1.924) 18.945 8.911 ( -0.278 -0.160 0.371) 0.491 11.702 ( -19.523 -11.272 9.852) 24.602 14.042 ( -0.059 -0.034 -15.562) 15.563 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 15.443 8.916 -1.309) 17.881 2.281 ( 24.061 13.892 -5.825) 28.387 3.225 ( 13.887 8.018 2.251) 16.193 3.740 ( 17.010 9.821 1.645) 19.710 4.275 ( 4.259 2.459 2.834) 5.676 5.444 ( 31.726 18.317 -4.605) 36.922 5.544 ( 3.385 1.954 0.039) 3.909 6.685 ( 20.281 11.709 1.139) 23.447 8.405 ( -14.552 -8.402 -0.113) 16.804 8.920 ( 1.050 0.606 0.165) 1.224 11.222 ( -24.904 -14.378 10.431) 30.590 13.987 ( -0.904 -0.522 -13.531) 13.572 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 10.573 6.104 -1.123) 12.260 2.761 ( 18.969 10.952 -5.700) 22.633 3.458 ( 7.704 4.448 -3.055) 9.406 4.136 ( 16.815 9.708 0.751) 19.430 4.479 ( 12.163 7.022 6.672) 15.549 5.614 ( 2.645 1.527 0.317) 3.070 5.996 ( 17.072 9.856 -4.144) 20.144 7.120 ( 16.262 9.389 -1.196) 18.816 8.171 ( -4.433 -2.559 2.099) 5.532 8.960 ( 2.422 1.399 0.014) 2.797 10.659 ( -26.323 -15.198 7.673) 31.349 13.916 ( -2.189 -1.264 -9.585) 9.912 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 6.687 3.861 -0.774) 7.760 3.075 ( 9.430 5.445 -3.167) 11.341 3.613 ( 7.868 4.543 -5.230) 10.483 4.481 ( 12.884 7.439 -0.286) 14.880 4.840 ( 17.142 9.897 6.732) 20.907 5.665 ( 1.680 0.970 0.624) 2.037 6.186 ( 1.041 0.601 -3.723) 3.912 7.347 ( 4.470 2.581 -0.284) 5.169 8.267 ( 10.831 6.253 1.248) 12.569 9.024 ( 2.973 1.717 -0.002) 3.433 10.108 ( -22.857 -13.196 4.433) 26.762 13.835 ( -2.734 -1.578 -5.727) 6.540 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 3.282 1.895 -0.386) 3.810 3.193 ( 2.533 1.463 -1.169) 3.150 3.769 ( 6.074 3.507 -3.431) 7.808 4.706 ( 6.831 3.944 -0.594) 7.911 5.272 ( 18.613 10.746 4.469) 21.952 5.694 ( 0.760 0.439 0.561) 1.042 6.058 ( -10.254 -5.920 -2.855) 12.179 7.401 ( 1.228 0.709 0.766) 1.612 8.529 ( 9.624 5.556 -0.130) 11.114 9.084 ( 2.074 1.197 0.023) 2.395 9.691 ( -13.673 -7.894 1.782) 15.889 13.767 ( -1.911 -1.103 -2.565) 3.384 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 -0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 -0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.809 ( 0.000 0.000 0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 8.645 ( 0.000 0.000 -0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.533 ( 0.000 0.000 0.000) 0.000 13.740 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 0.000 27.796 16.986) 32.575 0.676 ( 0.000 29.764 13.308) 32.604 1.126 ( -0.000 51.796 7.538) 52.341 2.960 ( -0.000 3.942 -3.908) 5.551 3.357 ( -0.000 19.478 -8.065) 21.082 4.493 ( 0.000 -10.011 10.256) 14.332 5.328 ( -0.000 2.121 0.187) 2.129 5.454 ( -0.000 13.237 1.644) 13.339 8.944 ( 0.000 -0.959 0.091) 0.963 9.372 ( -0.000 -8.996 -3.866) 9.792 12.006 ( -0.000 18.591 -71.522) 73.899 14.209 ( 0.000 -7.992 18.203) 19.880 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 9.112 24.370 12.276) 28.768 1.166 ( 11.976 30.167 4.543) 32.774 1.879 ( 25.015 35.032 10.677) 44.351 3.056 ( 6.328 6.281 -3.143) 9.454 3.684 ( 14.262 26.870 -6.887) 31.191 4.378 ( -3.895 -6.566 1.257) 7.737 5.378 ( 2.057 3.732 0.191) 4.265 5.693 ( 9.583 14.965 2.988) 18.020 8.932 ( -0.317 -0.930 0.320) 1.034 9.190 ( -6.846 -12.392 -4.726) 14.926 12.010 ( 2.769 -3.758 -19.347) 19.902 14.116 ( -5.620 -1.028 -3.831) 6.879 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 16.883 19.351 5.674) 26.300 1.675 ( 12.885 27.713 0.089) 30.562 2.591 ( 21.806 20.269 9.260) 31.178 3.277 ( 10.618 10.467 -1.209) 14.959 4.247 ( 3.580 5.095 -4.689) 7.795 4.337 ( 21.385 21.547 -3.989) 30.619 5.466 ( 2.277 6.416 0.172) 6.810 6.058 ( 14.711 13.823 3.701) 20.523 8.882 ( -10.496 -13.159 -4.316) 17.377 8.926 ( -1.262 -0.537 0.566) 1.483 11.853 ( -8.690 -13.930 5.502) 17.316 14.010 ( -2.938 0.710 -15.516) 15.807 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 16.875 14.693 1.936) 22.459 2.147 ( 13.294 24.038 -3.033) 27.636 3.080 ( 14.952 11.446 4.631) 19.391 3.611 ( 13.613 14.836 0.370) 20.139 4.236 ( 2.332 0.186 -0.493) 2.390 5.077 ( 29.528 22.634 -6.869) 37.834 5.589 ( 2.259 12.082 0.215) 12.293 6.474 ( 17.706 11.792 3.481) 21.556 8.531 ( -12.403 -12.931 -2.529) 18.095 8.933 ( -0.019 2.424 0.417) 2.460 11.484 ( -18.782 -17.540 11.696) 28.235 13.932 ( -0.472 -1.132 -16.397) 16.443 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 11.199 11.381 0.602) 15.978 2.589 ( 14.907 18.652 -4.879) 24.371 3.362 ( 8.348 5.499 -1.369) 10.090 4.011 ( 13.949 16.585 0.905) 21.690 4.368 ( 9.650 5.123 3.770) 11.557 5.547 ( 10.666 3.883 -3.441) 11.861 5.877 ( 11.179 22.592 -3.305) 25.422 6.905 ( 18.831 9.446 1.930) 21.155 8.234 ( -8.026 -8.396 0.150) 11.616 8.977 ( 0.569 5.451 0.260) 5.487 10.966 ( -24.473 -17.787 9.998) 31.863 13.862 ( 0.343 -4.211 -12.508) 13.202 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 6.113 9.411 0.078) 11.222 2.957 ( 11.471 10.909 -3.937) 16.312 3.513 ( 6.783 3.834 -4.864) 9.185 4.390 ( 11.142 15.287 0.272) 18.919 4.668 ( 15.205 8.103 5.785) 18.175 5.674 ( 2.659 4.452 -1.387) 5.368 6.175 ( 3.310 11.070 -4.764) 12.498 7.252 ( 11.124 4.610 0.604) 12.057 8.161 ( 5.274 0.003 2.066) 5.664 9.059 ( 0.522 8.920 0.280) 8.939 10.394 ( -25.036 -15.767 6.326) 30.256 13.784 ( 0.675 -6.846 -8.040) 10.581 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 2.271 7.669 -0.037) 7.998 3.150 ( 4.507 3.486 -2.009) 6.041 3.669 ( 8.103 3.982 -4.564) 10.117 4.673 ( 6.000 12.007 -0.506) 13.433 5.054 ( 18.033 7.907 4.899) 20.291 5.739 ( -0.014 5.190 -1.426) 5.383 6.180 ( -8.116 2.875 -3.628) 9.343 7.386 ( 2.593 1.668 1.084) 3.268 8.368 ( 13.057 2.380 1.664) 13.376 9.164 ( -0.931 12.435 0.478) 12.479 9.880 ( -19.763 -11.847 2.865) 23.219 13.708 ( 1.714 -8.199 -4.399) 9.461 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -1.143 5.851 0.058) 5.962 3.207 ( 1.218 0.514 -0.871) 1.583 3.799 ( 4.461 0.967 -1.689) 4.867 4.822 ( -0.003 7.855 -0.226) 7.858 5.418 ( 14.489 1.451 2.531) 14.780 5.774 ( 0.601 3.225 -2.874) 4.361 5.993 ( -15.111 6.012 -0.976) 16.292 7.421 ( 0.103 1.007 0.359) 1.074 8.562 ( 7.579 -2.488 1.921) 8.205 9.264 ( -4.974 16.588 0.466) 17.324 9.542 ( -7.623 -8.030 0.557) 11.086 13.664 ( 3.792 -8.042 -1.687) 9.050 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( -4.413 3.859 0.259) 5.868 3.211 ( -0.516 -0.547 0.117) 0.761 3.815 ( -1.677 -2.606 1.735) 3.551 4.825 ( -6.584 3.990 0.416) 7.710 5.391 ( -9.957 -12.538 -3.394) 16.366 5.790 ( -3.652 2.788 0.709) 4.649 5.995 ( 4.138 15.172 -0.622) 15.739 7.416 ( -1.228 0.144 -0.710) 1.425 8.565 ( -2.115 -7.911 2.599) 8.592 9.260 ( -11.722 11.921 -0.426) 16.724 9.538 ( 9.849 2.790 -0.322) 10.241 13.675 ( 6.210 -6.714 0.633) 9.168 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -7.634 1.615 0.527) 7.821 3.166 ( -4.405 -1.943 1.434) 5.024 3.713 ( -6.679 -4.492 4.872) 9.408 4.676 ( -13.459 0.376 0.098) 13.464 5.005 ( -16.666 -11.631 -5.678) 21.102 5.748 ( -5.455 4.101 0.615) 6.853 6.197 ( 3.343 7.713 -0.079) 8.407 7.379 ( -2.358 -1.498 -0.407) 2.823 8.369 ( -9.744 -10.357 1.875) 14.343 9.161 ( -10.005 6.681 -0.311) 12.035 9.856 ( 18.742 10.925 -2.334) 21.819 13.744 ( 7.706 -4.971 3.182) 9.707 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -11.045 -1.119 0.852) 11.134 2.994 ( -13.874 -4.377 4.010) 15.090 3.559 ( -7.731 -4.083 5.133) 10.138 4.381 ( -18.647 -3.167 -1.665) 18.987 4.612 ( -15.074 -7.749 -6.226) 18.057 5.684 ( -5.659 1.437 0.743) 5.886 6.199 ( -9.894 1.911 0.100) 10.077 7.260 ( -9.237 -7.738 2.301) 12.268 8.146 ( -3.469 -4.430 -1.132) 5.739 9.057 ( -7.846 3.827 -0.113) 8.730 10.343 ( 24.477 13.358 -4.722) 28.282 13.849 ( 7.510 -3.421 6.027) 10.219 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -15.360 -4.913 1.243) 16.175 2.640 ( -23.419 -4.221 6.036) 24.550 3.373 ( -11.355 -5.233 1.042) 12.546 3.995 ( -20.880 -4.169 -2.401) 21.427 4.330 ( -8.299 -3.953 -4.384) 10.184 5.570 ( -7.925 -5.167 1.562) 9.589 5.894 ( -25.065 0.253 0.174) 25.066 6.903 ( -18.828 -12.784 1.623) 22.816 8.227 ( 12.145 3.664 -1.305) 12.752 8.975 ( -5.003 2.103 -0.094) 5.427 10.889 ( 25.854 12.173 -6.751) 29.363 13.960 ( 5.825 -2.151 8.572) 10.585 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -21.339 -9.036 1.628) 23.231 2.185 ( -28.366 -0.804 5.155) 28.842 3.042 ( -19.711 -7.713 -3.556) 21.462 3.599 ( -19.330 -3.589 -2.182) 19.781 4.233 ( -0.151 -0.607 -1.029) 1.204 5.121 ( -33.964 -13.820 2.576) 36.758 5.588 ( -11.536 3.991 -0.115) 12.207 6.454 ( -19.797 -10.100 -0.685) 22.235 8.544 ( 18.309 5.088 0.194) 19.004 8.930 ( -2.164 1.137 -0.206) 2.454 11.397 ( 23.681 8.556 -7.109) 26.163 14.052 ( 3.488 -0.968 9.553) 10.216 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -26.280 -8.231 1.068) 27.559 1.689 ( -31.336 0.629 3.037) 31.489 2.527 ( -30.408 -7.807 -4.535) 31.720 3.276 ( -14.126 -2.186 -1.356) 14.359 4.270 ( 1.108 0.910 0.858) 1.671 4.364 ( -36.094 -8.970 1.328) 37.216 5.466 ( -6.681 1.157 0.042) 6.781 6.035 ( -19.633 -5.779 -1.171) 20.499 8.908 ( 17.571 3.246 1.103) 17.903 8.920 ( 0.720 0.691 -0.577) 1.153 11.809 ( 19.200 3.909 -3.976) 19.993 14.115 ( 1.344 0.021 6.926) 7.056 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -27.873 0.000 0.000) 27.873 1.146 ( -33.125 0.000 0.000) 33.125 1.829 ( -44.470 0.000 0.000) 44.470 3.071 ( -8.493 0.000 0.000) 8.493 3.717 ( -29.447 0.000 0.000) 29.447 4.371 ( 5.928 -0.000 -0.000) 5.928 5.377 ( -4.265 0.000 0.000) 4.265 5.678 ( -17.889 0.000 0.000) 17.889 8.931 ( 0.931 -0.000 -0.000) 0.931 9.212 ( 14.446 -0.000 -0.000) 14.446 12.105 ( 13.775 -0.000 -0.000) 13.775 14.136 ( -0.263 0.000 0.000) 0.263 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.000 29.111 14.309) 32.437 1.324 ( 0.000 27.448 12.698) 30.243 2.077 ( -0.000 39.214 7.114) 39.855 3.049 ( -0.000 8.826 -7.028) 11.283 3.856 ( -0.000 34.990 -6.288) 35.551 4.340 ( 0.000 -7.888 -0.806) 7.929 5.388 ( -0.000 3.681 0.333) 3.696 5.803 ( -0.000 20.115 2.842) 20.315 8.923 ( 0.000 -1.123 0.194) 1.140 9.090 ( -0.000 -15.911 -6.227) 17.086 11.879 ( -0.000 -5.006 -15.320) 16.118 14.151 ( -0.000 -1.853 -4.616) 4.974 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 1.308 25.895 12.310) 28.702 1.779 ( 9.620 28.140 6.405) 30.421 2.556 ( 11.709 27.188 7.801) 30.613 3.206 ( 8.573 12.315 -6.091) 16.195 4.245 ( -1.367 -3.551 -5.018) 6.298 4.307 ( 11.535 36.495 -5.673) 38.692 5.470 ( 4.241 5.309 0.398) 6.807 6.065 ( 5.290 20.462 4.017) 21.513 8.853 ( -5.290 -16.872 -6.092) 18.702 8.924 ( 0.652 -0.910 0.355) 1.175 11.774 ( 0.151 -15.080 0.471) 15.088 14.062 ( -5.669 0.546 -11.667) 12.983 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 7.724 21.177 7.531) 23.767 2.216 ( 8.602 26.212 0.796) 27.599 2.995 ( 11.659 15.901 5.254) 20.405 3.535 ( 13.770 17.009 -2.498) 22.026 4.193 ( 1.379 -1.233 -3.732) 4.165 4.900 ( 18.134 30.668 -8.129) 36.544 5.645 ( 6.855 11.763 0.342) 13.619 6.390 ( 8.826 17.450 5.055) 20.198 8.549 ( -8.008 -16.494 -4.707) 18.930 8.950 ( 1.332 2.219 0.586) 2.653 11.550 ( -7.525 -21.443 9.398) 24.592 13.926 ( -5.396 0.172 -15.044) 15.983 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 9.401 16.156 4.010) 19.117 2.594 ( 8.026 22.296 -2.440) 23.822 3.284 ( 7.615 7.877 -0.704) 10.979 3.959 ( 14.100 19.146 1.063) 23.802 4.278 ( 7.520 5.330 -0.445) 9.228 5.373 ( 13.717 12.383 -7.769) 20.046 5.962 ( 9.187 23.616 -1.569) 25.389 6.734 ( 12.442 12.381 5.199) 18.306 8.259 ( -6.975 -12.274 -2.289) 14.301 9.020 ( 1.944 6.263 0.650) 6.590 11.159 ( -16.131 -22.079 10.311) 29.224 13.794 ( -3.003 -3.769 -13.334) 14.178 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 6.858 13.046 2.208) 14.903 2.909 ( 7.639 15.266 -3.054) 17.341 3.432 ( 5.294 4.115 -5.183) 8.475 4.370 ( 12.048 16.964 3.509) 21.101 4.538 ( 11.769 11.477 1.147) 16.478 5.605 ( 8.061 4.353 -6.206) 11.066 6.296 ( 1.824 21.252 -3.227) 21.573 7.083 ( 14.407 7.224 3.998) 16.605 8.099 ( -0.141 -4.956 0.157) 4.960 9.142 ( 2.102 10.639 0.956) 10.887 10.657 ( -21.454 -18.364 7.240) 29.153 13.666 ( -0.582 -8.879 -9.447) 12.977 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 2.698 11.558 1.139) 11.923 3.111 ( 4.371 6.048 -2.004) 7.726 3.560 ( 7.227 4.304 -5.554) 10.080 4.714 ( 7.370 16.151 1.642) 17.829 4.872 ( 13.838 10.171 2.880) 17.413 5.723 ( 4.547 1.659 -6.122) 7.804 6.403 ( -8.106 14.769 -1.878) 16.952 7.338 ( 7.119 3.735 2.754) 8.498 8.174 ( 10.444 -0.315 1.311) 10.531 9.293 ( 1.304 11.772 1.807) 11.981 10.151 ( -22.050 -9.396 3.052) 24.162 13.546 ( 2.097 -13.068 -5.723) 14.420 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -1.279 10.137 0.500) 10.230 3.185 ( 1.678 1.168 -1.317) 2.432 3.706 ( 6.778 1.959 -3.018) 7.674 4.928 ( 0.383 13.590 -0.185) 13.596 5.213 ( 14.288 5.612 3.294) 15.700 5.752 ( 1.271 -1.603 -6.544) 6.857 6.351 ( -13.667 15.708 0.286) 20.823 7.435 ( 0.797 2.626 1.197) 2.994 8.372 ( 11.698 -3.268 2.392) 12.379 9.386 ( 0.733 -0.409 2.709) 2.836 9.803 ( -18.821 12.313 -0.564) 22.498 13.456 ( 5.607 -15.140 -2.959) 16.414 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( -4.873 8.192 0.194) 9.534 3.204 ( 0.641 -0.217 -0.635) 0.928 3.787 ( 2.675 -1.621 0.032) 3.128 4.999 ( -5.479 9.709 -0.004) 11.148 5.376 ( -0.060 -5.507 -0.742) 5.557 5.753 ( 4.472 0.049 -2.716) 5.232 6.294 ( -12.820 20.169 0.003) 23.899 7.446 ( -1.659 1.507 -0.585) 2.316 8.472 ( 4.818 -8.218 4.011) 10.337 9.353 ( 3.643 -9.355 -0.017) 10.039 9.734 ( -15.312 27.878 0.127) 31.807 13.432 ( 9.602 -14.497 -0.928) 17.413 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( -8.183 5.601 0.096) 9.917 3.199 ( -0.910 -0.719 0.138) 1.168 3.766 ( -2.456 -3.576 3.096) 5.329 4.923 ( -12.119 4.215 -0.857) 12.860 5.150 ( -13.414 -7.883 -3.188) 15.882 5.830 ( 1.448 0.220 1.452) 2.063 6.327 ( -5.973 19.046 -2.269) 20.089 7.409 ( -2.881 -0.546 -1.231) 3.180 8.392 ( -4.082 -11.383 4.521) 12.910 9.347 ( 0.167 -1.737 -1.505) 2.304 9.809 ( -3.146 22.540 0.071) 22.758 13.494 ( 12.590 -11.579 0.998) 17.135 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -11.352 2.390 0.149) 11.602 3.142 ( -5.650 -1.138 1.281) 5.904 3.665 ( -6.425 -3.280 5.321) 8.964 4.644 ( -17.398 -5.177 -4.980) 18.823 4.841 ( -17.514 0.148 -1.004) 17.543 5.799 ( -4.882 -0.453 1.937) 5.272 6.395 ( -6.150 13.720 -3.132) 15.358 7.316 ( -5.433 -5.663 0.865) 7.895 8.181 ( -7.387 -8.970 2.160) 11.820 9.269 ( -9.442 3.801 -0.591) 10.195 10.103 ( 15.375 14.673 -2.064) 21.352 13.629 ( 13.268 -7.795 2.926) 15.665 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -14.872 -0.907 0.383) 14.905 2.967 ( -14.845 -0.693 3.030) 15.166 3.519 ( -9.434 -2.690 3.860) 10.542 4.277 ( -16.843 -4.768 -5.134) 18.242 4.525 ( -18.874 0.610 -1.124) 18.917 5.680 ( -8.042 -2.554 1.650) 8.598 6.308 ( -17.690 9.696 -2.741) 20.358 7.068 ( -13.959 -12.396 3.122) 18.928 8.090 ( 4.206 -0.902 -0.751) 4.367 9.131 ( -9.745 3.056 -0.156) 10.214 10.557 ( 23.175 9.919 -3.262) 25.419 13.796 ( 11.659 -4.288 4.159) 13.101 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -19.526 -2.543 0.558) 19.699 2.647 ( -23.254 0.561 2.908) 23.442 3.286 ( -15.613 -2.984 -0.137) 15.897 3.927 ( -20.526 -1.345 -1.816) 20.650 4.276 ( -7.917 -0.419 -1.044) 7.997 5.460 ( -16.115 -4.477 1.082) 16.760 5.975 ( -26.399 4.983 -0.832) 26.879 6.687 ( -17.619 -7.917 0.921) 19.339 8.278 ( 15.609 1.630 -0.412) 15.699 9.013 ( -6.306 1.250 -0.070) 6.429 11.035 ( 24.592 5.002 -2.810) 25.253 13.955 ( 8.601 -1.552 3.596) 9.450 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -24.455 0.000 0.000) 24.455 2.213 ( -28.380 0.000 0.000) 28.380 2.939 ( -22.716 0.000 0.000) 22.716 3.559 ( -20.087 0.000 0.000) 20.087 4.228 ( 1.122 -0.000 -0.000) 1.122 4.984 ( -35.824 0.000 0.000) 35.824 5.641 ( -13.976 0.000 0.000) 13.976 6.337 ( -19.097 0.000 0.000) 19.097 8.596 ( 19.521 -0.000 -0.000) 19.521 8.943 ( -2.630 0.000 0.000) 2.630 11.462 ( 22.817 -0.000 -0.000) 22.817 14.071 ( 4.935 -0.000 -0.000) 4.935 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.000 21.850 10.821) 24.383 1.960 ( 0.000 29.316 10.763) 31.229 2.758 ( -0.000 26.499 5.872) 27.142 3.239 ( -0.000 15.588 -8.100) 17.566 4.189 ( -0.000 -4.940 -5.530) 7.415 4.590 ( -0.000 41.162 -7.627) 41.863 5.471 ( -0.000 4.344 0.466) 4.369 6.269 ( -0.000 24.833 4.845) 25.301 8.696 ( -0.000 -19.222 -6.590) 20.321 8.910 ( 0.000 -0.213 0.271) 0.345 11.609 ( 0.000 -18.762 3.510) 19.087 14.085 ( -0.000 0.260 -11.747) 11.749 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -0.252 19.873 9.119) 21.867 2.348 ( 6.729 25.886 5.684) 27.343 3.048 ( 4.297 19.255 3.874) 20.106 3.483 ( 10.518 19.382 -5.491) 22.726 4.142 ( 1.187 -1.378 -5.557) 5.847 5.006 ( 5.547 34.644 -8.923) 36.203 5.592 ( 8.463 6.911 0.435) 10.935 6.549 ( 1.011 25.662 5.973) 26.368 8.457 ( -3.450 -18.149 -5.550) 19.290 8.934 ( 2.332 1.352 0.399) 2.725 11.411 ( -1.046 -24.274 7.996) 25.579 13.996 ( -5.923 0.244 -12.872) 14.171 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 4.190 16.429 5.928) 17.962 2.700 ( 5.413 21.843 1.227) 22.537 3.274 ( 3.750 11.196 -1.735) 11.934 3.903 ( 14.874 20.268 -0.192) 25.141 4.208 ( 6.535 6.024 -2.836) 9.329 5.334 ( 5.239 18.006 -8.854) 20.738 5.921 ( 16.687 14.952 -1.428) 22.451 6.825 ( 0.453 23.019 6.640) 23.962 8.216 ( -4.099 -13.455 -3.468) 14.487 9.024 ( 4.451 5.019 0.668) 6.741 11.129 ( -5.769 -26.754 9.215) 28.879 13.826 ( -8.037 -2.074 -12.132) 14.700 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 6.371 13.755 3.740) 15.614 2.964 ( 3.776 15.128 -0.603) 15.604 3.395 ( 2.651 6.605 -6.728) 9.794 4.319 ( 12.393 13.950 6.427) 19.736 4.485 ( 12.271 17.153 -3.312) 21.349 5.516 ( 5.178 7.586 -8.435) 12.470 6.358 ( 14.795 15.782 -3.288) 21.881 7.053 ( 1.643 16.114 6.864) 17.591 8.060 ( -1.685 -5.517 -1.402) 5.936 9.185 ( 5.231 9.475 1.353) 10.907 10.756 ( -10.984 -23.526 7.063) 26.908 13.617 ( -7.013 -7.121 -9.531) 13.810 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 5.106 12.322 2.404) 13.553 3.117 ( 2.003 6.474 -0.918) 6.839 3.490 ( 4.184 6.136 -7.077) 10.259 4.677 ( 12.706 11.726 7.305) 18.770 4.846 ( 8.731 18.505 -2.964) 20.675 5.621 ( 4.987 1.521 -8.666) 10.114 6.645 ( 1.170 15.543 -2.316) 15.758 7.266 ( 6.852 8.359 6.434) 12.579 8.046 ( 3.424 -0.306 -0.692) 3.507 9.360 ( 2.556 7.475 2.982) 8.445 10.385 ( -12.670 -9.533 2.726) 16.089 13.397 ( -3.758 -13.516 -6.335) 15.392 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 1.162 11.490 1.133) 11.604 3.172 ( 0.868 1.661 -0.968) 2.110 3.608 ( 5.707 3.219 -4.266) 7.819 5.012 ( 9.648 11.344 5.055) 15.726 5.110 ( 5.102 13.405 -1.616) 14.434 5.663 ( 3.665 -2.401 -8.378) 9.455 6.729 ( -8.843 18.186 0.162) 20.223 7.448 ( 3.367 5.396 3.955) 7.490 8.146 ( 9.596 -3.286 0.426) 10.152 9.357 ( -3.059 -9.490 3.705) 10.636 10.241 ( -10.344 19.966 -0.707) 22.498 13.198 ( 1.773 -19.338 -3.652) 19.759 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -3.332 10.034 0.079) 10.573 3.189 ( 0.434 0.327 -0.562) 0.781 3.704 ( 4.864 -0.921 -1.255) 5.107 5.188 ( -3.449 12.215 -0.426) 12.700 5.298 ( 6.067 1.223 1.710) 6.421 5.669 ( 3.376 -1.358 -5.791) 6.840 6.734 ( -13.154 21.166 0.942) 24.938 7.505 ( -2.327 3.955 0.235) 4.594 8.270 ( 9.894 -8.731 3.391) 13.625 9.197 ( 0.516 -13.943 1.106) 13.996 10.316 ( -14.970 33.391 -0.300) 36.594 13.077 ( 9.481 -21.719 -1.831) 23.768 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -7.724 7.694 -0.193) 10.904 3.194 ( 0.413 -0.429 -0.342) 0.687 3.743 ( 1.968 -2.876 1.206) 3.687 5.139 ( -10.139 0.941 -2.919) 10.592 5.292 ( -6.955 2.346 0.680) 7.372 5.748 ( 6.322 -0.256 -0.890) 6.390 6.712 ( -13.800 21.409 -0.333) 25.473 7.465 ( -4.378 0.772 -1.954) 4.856 8.303 ( 3.434 -11.223 5.370) 12.907 9.167 ( 8.993 -8.521 -0.981) 12.427 10.325 ( -20.630 29.893 0.286) 36.322 13.099 ( 16.471 -18.017 -0.428) 24.414 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -11.184 3.946 -0.212) 11.862 3.188 ( -0.934 -0.347 0.028) 0.997 3.724 ( -1.906 -2.332 2.936) 4.206 4.865 ( -16.457 -5.248 -3.952) 17.720 5.154 ( -14.518 5.340 0.782) 15.489 5.813 ( 1.981 -2.225 0.905) 3.113 6.692 ( -10.941 18.261 -2.217) 21.403 7.360 ( -5.706 -4.250 -0.970) 7.181 8.204 ( -3.948 -9.162 4.041) 10.764 9.284 ( 8.763 -2.707 -1.128) 9.241 10.250 ( -13.691 19.097 -0.155) 23.498 13.267 ( 18.955 -10.632 0.822) 21.748 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -13.905 0.811 -0.057) 13.928 3.138 ( -5.480 -0.056 0.476) 5.501 3.650 ( -6.085 -0.991 2.719) 6.738 4.506 ( -17.823 -3.601 -3.150) 18.454 4.896 ( -20.279 2.623 0.231) 20.449 5.774 ( -4.318 -1.782 0.901) 4.758 6.658 ( -11.453 12.058 -2.681) 16.845 7.167 ( -9.742 -8.469 1.689) 13.018 8.069 ( -3.498 -3.064 0.851) 4.728 9.307 ( -5.501 0.767 -0.307) 5.562 10.333 ( 9.217 7.425 -0.876) 11.869 13.513 ( 17.269 -4.085 1.260) 17.790 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -16.586 0.000 0.000) 16.586 2.977 ( -14.134 0.000 0.000) 14.134 3.504 ( -11.064 0.000 0.000) 11.064 4.204 ( -14.861 0.000 0.000) 14.861 4.541 ( -21.242 0.000 0.000) 21.242 5.649 ( -9.191 0.000 0.000) 9.191 6.441 ( -21.829 0.000 0.000) 21.829 6.912 ( -13.956 0.000 0.000) 13.956 8.082 ( 6.890 -0.000 -0.000) 6.890 9.162 ( -9.859 0.000 0.000) 9.859 10.652 ( 21.918 -0.000 -0.000) 21.918 13.762 ( 13.423 -0.000 -0.000) 13.423 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 0.000 14.015 6.789) 15.573 2.567 ( -0.000 25.768 7.201) 26.755 3.215 ( -0.000 17.644 1.662) 17.722 3.572 ( -0.000 22.236 -6.031) 23.039 4.110 ( -0.000 1.623 -5.048) 5.302 5.277 ( -0.000 31.843 -9.977) 33.370 5.559 ( -0.000 4.042 0.637) 4.092 6.841 ( -0.000 29.097 6.499) 29.814 8.294 ( 0.000 -16.533 -4.757) 17.204 8.922 ( -0.000 1.357 0.255) 1.381 11.190 ( 0.000 -27.112 8.590) 28.440 14.012 ( -0.000 -0.516 -11.891) 11.902 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 1.677 11.910 4.722) 12.921 2.844 ( 2.670 19.839 4.420) 20.500 3.361 ( -0.410 12.740 -4.284) 13.447 3.883 ( 10.690 22.743 -2.476) 25.252 4.176 ( 3.954 8.385 -1.426) 9.380 5.465 ( -2.402 16.472 -8.125) 18.524 5.758 ( 14.360 10.187 -1.955) 17.715 7.123 ( -2.179 26.264 6.014) 27.032 8.133 ( -1.510 -9.439 -2.535) 9.890 8.983 ( 4.703 3.370 0.355) 5.796 10.929 ( -1.211 -29.363 8.546) 30.605 13.908 ( -6.598 -1.949 -10.766) 12.777 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 5.045 10.930 3.276) 12.476 3.048 ( 1.941 10.935 1.833) 11.257 3.439 ( -0.634 10.450 -8.816) 13.687 4.292 ( 10.828 17.402 5.053) 21.110 4.425 ( 11.970 16.849 -2.513) 20.820 5.537 ( -0.445 8.829 -8.224) 12.074 6.143 ( 19.734 8.065 -2.164) 21.428 7.294 ( -4.330 16.258 4.743) 17.481 8.066 ( -2.214 3.051 -0.175) 3.774 9.155 ( 8.479 7.599 1.023) 11.431 10.626 ( -2.900 -28.559 6.685) 29.474 13.693 ( -10.810 -4.908 -8.817) 14.788 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 6.861 10.308 2.462) 12.625 3.141 ( 1.006 3.256 -0.169) 3.412 3.509 ( 0.123 9.706 -7.939) 12.540 4.630 ( 9.678 14.144 7.398) 18.667 4.828 ( 13.432 17.582 -3.174) 22.352 5.570 ( 0.318 3.313 -9.059) 9.651 6.552 ( 19.361 6.868 -1.039) 20.569 7.361 ( -2.259 8.396 5.024) 10.042 8.084 ( -4.070 9.367 -0.235) 10.215 9.375 ( 4.975 6.562 3.105) 8.801 10.364 ( 0.321 -17.151 2.619) 17.353 13.400 ( -12.029 -9.822 -6.300) 16.759 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 5.188 9.351 1.102) 10.750 3.172 ( 1.263 1.004 -0.193) 1.626 3.576 ( 0.964 5.571 -5.142) 7.642 4.949 ( 10.077 11.540 6.179) 16.520 5.165 ( 7.809 14.774 -2.386) 16.880 5.563 ( 1.456 -1.489 -8.865) 9.106 6.896 ( 9.551 11.623 -0.543) 15.054 7.454 ( 3.772 5.009 6.645) 9.137 8.082 ( -4.227 4.889 -1.812) 6.712 9.345 ( -6.472 -11.393 4.186) 13.755 10.438 ( 8.885 14.202 -0.761) 16.770 13.063 ( -9.752 -16.866 -3.870) 19.863 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 0.996 1.018 -1.531) 2.091 3.255 ( 0.656 8.949 1.773) 9.146 3.619 ( 2.626 -0.262 -2.438) 3.593 5.217 ( 7.913 6.403 4.295) 11.048 5.344 ( -1.142 10.382 -2.050) 10.644 5.566 ( 4.655 -1.713 -6.676) 8.316 7.093 ( -3.182 18.032 0.245) 18.312 7.592 ( 1.353 5.968 4.723) 7.730 8.046 ( 2.979 -6.617 -0.792) 7.300 9.090 ( -5.191 -15.979 1.796) 16.897 10.793 ( 1.356 32.953 -0.465) 32.984 12.740 ( -1.167 -25.231 -2.128) 25.348 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 0.994 -0.049 -0.853) 1.311 3.300 ( -6.184 7.989 0.397) 10.111 3.658 ( 4.484 -3.094 -0.077) 5.448 5.259 ( -5.584 -1.727 -2.156) 6.230 5.424 ( -0.636 8.719 2.156) 9.004 5.636 ( 5.468 -0.369 -2.922) 6.211 7.154 ( -11.859 19.926 1.234) 23.221 7.575 ( -8.032 2.535 -2.078) 8.675 8.086 ( 10.335 -11.203 4.110) 15.786 8.944 ( 4.536 -10.661 -0.251) 11.589 10.997 ( -18.924 33.495 0.168) 38.471 12.593 ( 16.244 -25.465 -1.041) 30.223 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 0.589 0.081 -0.337) 0.683 3.210 ( -10.221 3.149 -0.059) 10.696 3.702 ( 2.755 -1.617 0.857) 3.308 5.071 ( -12.647 -2.319 -1.774) 12.980 5.415 ( -9.219 4.949 0.844) 10.498 5.721 ( 5.954 -1.571 -0.393) 6.170 7.088 ( -15.940 14.760 0.357) 21.727 7.421 ( -6.740 -4.219 -2.175) 8.244 8.142 ( 4.022 -6.137 3.171) 7.993 9.035 ( 13.303 -3.630 -0.613) 13.803 10.808 ( -28.427 15.280 0.130) 32.274 12.786 ( 24.950 -10.614 -0.130) 27.114 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( -12.544 0.000 0.000) 12.544 3.185 ( -0.793 0.000 0.000) 0.793 3.711 ( -1.247 0.000 0.000) 1.247 4.792 ( -17.515 0.000 0.000) 17.515 5.223 ( -15.751 0.000 0.000) 15.751 5.786 ( 1.983 -0.000 -0.000) 1.983 6.917 ( -12.517 0.000 0.000) 12.517 7.273 ( -7.548 0.000 0.000) 7.548 8.121 ( -3.012 0.000 0.000) 3.012 9.250 ( 11.221 -0.000 -0.000) 11.221 10.456 ( -17.735 0.000 0.000) 17.735 13.151 ( 22.347 -0.000 -0.000) 22.347 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 0.000 8.435 2.795) 8.886 3.010 ( 0.000 13.865 4.299) 14.516 3.474 ( -0.000 11.821 -8.028) 14.289 4.006 ( -0.000 23.517 -3.080) 23.718 4.253 ( -0.000 14.155 2.560) 14.384 5.633 ( -0.000 2.922 0.821) 3.035 5.682 ( -0.000 15.633 -10.573) 18.873 7.379 ( -0.000 15.753 3.472) 16.131 8.112 ( -0.000 5.421 0.912) 5.497 8.965 ( -0.000 2.721 0.134) 2.724 10.668 ( 0.000 -30.207 7.888) 31.219 13.913 ( -0.000 -2.944 -9.538) 9.982 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 3.512 7.272 1.749) 8.263 3.118 ( 0.262 5.476 1.508) 5.686 3.547 ( -1.527 11.983 -9.445) 15.334 4.310 ( 9.284 20.678 -0.605) 22.675 4.461 ( 3.853 18.381 3.886) 19.179 5.620 ( -2.704 5.263 -5.265) 7.920 5.903 ( 13.630 5.098 -3.799) 15.040 7.448 ( -1.598 2.379 1.279) 3.139 8.237 ( -3.181 20.487 3.432) 21.014 9.069 ( 8.194 5.018 0.389) 9.617 10.384 ( -1.069 -29.704 6.353) 30.394 13.786 ( -7.392 -4.453 -7.940) 11.727 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 7.061 6.881 1.446) 9.965 3.147 ( 0.168 0.686 -1.001) 1.226 3.606 ( -1.746 10.439 -7.159) 12.778 4.663 ( 8.394 16.379 4.868) 19.037 4.763 ( 10.197 17.416 -0.679) 20.193 5.597 ( -2.333 2.337 -7.815) 8.484 6.233 ( 21.214 2.700 -0.184) 21.386 7.435 ( -0.726 -0.221 1.470) 1.654 8.360 ( -8.433 20.696 2.350) 22.471 9.324 ( 10.760 7.982 2.115) 13.563 10.118 ( 2.612 -24.877 3.144) 25.210 13.531 ( -13.428 -6.568 -5.886) 16.065 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 8.574 6.512 1.131) 10.826 3.148 ( 0.797 -0.700 -1.249) 1.639 3.640 ( -2.227 6.689 -4.503) 8.365 4.950 ( 6.716 13.177 5.844) 15.903 5.105 ( 12.117 12.024 -2.095) 17.199 5.540 ( -2.103 -0.788 -7.806) 8.123 6.663 ( 23.862 4.802 0.907) 24.358 7.445 ( 1.688 -0.114 2.500) 3.018 8.355 ( -13.291 14.951 0.277) 20.007 9.377 ( -7.444 -9.482 4.173) 12.757 10.219 ( 23.828 2.451 -0.732) 23.964 13.169 ( -17.719 -9.786 -3.710) 20.579 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 0.767 0.145 -1.365) 1.573 3.251 ( 8.459 5.202 1.599) 10.059 3.628 ( -3.101 2.149 -2.502) 4.527 5.185 ( 6.033 8.362 4.868) 11.402 5.379 ( 8.882 7.589 -1.617) 11.794 5.474 ( -0.857 -2.091 -6.548) 6.927 7.111 ( 18.544 10.024 -0.080) 21.080 7.511 ( 6.500 -2.221 4.334) 8.122 8.202 ( -17.107 7.230 -1.292) 18.617 9.082 ( -10.546 -13.969 2.020) 17.619 10.795 ( 27.914 18.402 -0.460) 33.437 12.715 ( -19.990 -15.211 -1.943) 25.195 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 0.920 -0.140 -0.550) 1.081 3.431 ( 3.614 7.012 1.148) 7.972 3.566 ( -1.581 -3.702 -1.279) 4.223 5.303 ( -0.783 1.039 0.968) 1.622 5.468 ( 3.304 2.961 -0.693) 4.491 5.542 ( 4.908 1.415 -2.013) 5.490 7.417 ( 1.743 13.799 -0.871) 13.936 7.677 ( 13.811 -2.881 4.476) 14.801 7.920 ( -16.422 -2.959 -1.779) 16.781 8.839 ( -3.871 -8.028 0.282) 8.917 11.446 ( 16.598 30.673 0.206) 34.877 12.196 ( -13.290 -27.252 -1.008) 30.337 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 1.086 -0.000 -0.000) 1.086 3.396 ( -9.020 0.000 0.000) 9.020 3.612 ( 6.474 -0.000 -0.000) 6.474 5.228 ( -7.245 0.000 0.000) 7.245 5.552 ( -3.005 0.000 0.000) 3.005 5.595 ( 7.070 -0.000 -0.000) 7.070 7.468 ( -3.670 0.000 0.000) 3.670 7.513 ( -21.385 0.000 0.000) 21.385 7.965 ( 13.365 -0.000 -0.000) 13.365 8.828 ( 6.970 -0.000 -0.000) 6.970 11.440 ( -33.576 0.000 0.000) 33.576 12.230 ( 31.739 -0.000 -0.000) 31.739 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -0.000 5.178 0.703) 5.226 3.148 ( -0.000 0.993 -0.741) 1.238 3.649 ( -0.000 10.897 -8.154) 13.610 4.421 ( -0.000 19.115 -1.337) 19.161 4.647 ( -0.000 21.357 5.339) 22.015 5.681 ( 0.000 1.376 0.879) 1.633 5.788 ( -0.000 1.918 -8.356) 8.574 7.450 ( 0.000 -2.748 0.286) 2.763 8.529 ( -0.000 26.667 4.463) 27.038 9.024 ( -0.000 3.045 -0.007) 3.045 10.130 ( 0.000 -27.578 5.471) 28.115 13.784 ( -0.000 -4.834 -6.745) 8.298 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 4.719 4.196 0.446) 6.331 3.142 ( -0.060 -0.783 -2.046) 2.191 3.710 ( -1.442 8.392 -5.750) 10.275 4.658 ( 7.754 14.387 -0.537) 16.352 4.883 ( 1.143 20.374 4.326) 20.860 5.633 ( -3.453 -0.818 -4.982) 6.117 5.924 ( 15.375 -0.441 -0.942) 15.410 7.425 ( 0.097 -2.120 0.452) 2.170 8.722 ( -7.236 21.612 2.807) 22.964 9.184 ( 13.201 6.296 0.831) 14.649 9.872 ( -1.537 -24.359 3.693) 24.685 13.648 ( -8.045 -5.108 -5.058) 10.789 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 8.557 3.410 0.514) 9.226 3.128 ( 0.268 -0.858 -1.707) 1.929 3.730 ( -2.392 5.227 -3.357) 6.657 4.931 ( 10.220 8.663 0.577) 13.410 5.103 ( 2.579 15.632 2.929) 16.111 5.540 ( -2.515 -3.666 -5.974) 7.447 6.272 ( 24.109 1.223 0.979) 24.160 7.420 ( 0.968 -1.051 0.674) 1.580 8.739 ( -12.419 14.988 0.889) 19.485 9.420 ( -2.725 -3.633 3.851) 5.955 9.774 ( 21.787 -7.252 -0.697) 22.973 13.383 ( -15.512 -5.062 -3.075) 16.605 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 7.720 2.274 -0.660) 8.075 3.128 ( 3.273 -0.521 0.328) 3.330 3.708 ( -3.620 2.104 -1.416) 4.420 5.165 ( 8.537 4.836 2.087) 10.031 5.293 ( 4.894 7.988 0.987) 9.420 5.453 ( -0.656 -4.009 -4.682) 6.199 6.744 ( 27.814 2.311 0.663) 27.918 7.441 ( 2.166 -0.693 0.786) 2.406 8.595 ( -17.916 7.787 -0.056) 19.535 9.175 ( -12.221 -8.673 1.621) 15.073 10.323 ( 36.389 4.654 -0.314) 36.687 13.004 ( -22.485 -4.460 -1.271) 22.958 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 0.752 -0.000 -0.000) 0.752 3.312 ( 10.430 -0.000 -0.000) 10.430 3.639 ( -5.298 0.000 0.000) 5.298 5.307 ( 3.116 -0.000 -0.000) 3.116 5.394 ( 3.948 -0.000 -0.000) 3.948 5.467 ( 5.077 -0.000 -0.000) 5.077 7.235 ( 26.957 -0.000 -0.000) 26.957 7.477 ( 2.233 -0.000 -0.000) 2.233 8.287 ( -21.844 0.000 0.000) 21.844 8.928 ( -10.719 0.000 0.000) 10.719 11.007 ( 38.801 -0.000 -0.000) 38.801 12.533 ( -28.771 0.000 0.000) 28.771 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -0.000 2.571 0.034) 2.571 3.125 ( -0.000 -1.152 -2.175) 2.462 3.776 ( -0.000 5.510 -3.906) 6.754 4.716 ( -0.000 10.846 -0.526) 10.859 5.092 ( -0.000 19.761 3.349) 20.042 5.695 ( -0.000 -6.556 -4.442) 7.919 5.699 ( 0.000 0.171 0.622) 0.645 7.406 ( 0.000 -1.409 0.304) 1.441 9.014 ( -0.000 18.363 2.106) 18.483 9.075 ( -0.000 2.002 -0.055) 2.002 9.694 ( 0.000 -18.134 3.206) 18.415 13.659 ( -0.000 -3.989 -3.644) 5.402 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 5.322 1.401 0.062) 5.504 3.111 ( 0.211 -0.657 -1.225) 1.406 3.795 ( -1.425 2.686 -1.852) 3.560 4.852 ( 6.296 5.178 -0.212) 8.154 5.266 ( -1.169 15.278 2.927) 15.599 5.523 ( -4.301 -7.661 -3.621) 9.503 5.908 ( 18.269 -0.655 0.424) 18.285 7.401 ( 0.416 -0.590 0.211) 0.752 9.033 ( -6.844 8.552 0.183) 10.955 9.309 ( 16.167 4.397 0.955) 16.782 9.518 ( -4.080 -11.572 1.346) 12.344 13.547 ( -8.417 -2.360 -1.793) 8.924 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 9.076 -0.000 -0.000) 9.076 3.112 ( 0.473 -0.000 -0.000) 0.473 3.771 ( -2.606 0.000 0.000) 2.606 5.018 ( 9.856 -0.000 -0.000) 9.856 5.365 ( -2.592 0.000 0.000) 2.592 5.392 ( 0.620 -0.000 -0.000) 0.620 6.289 ( 25.606 -0.000 -0.000) 25.606 7.411 ( 1.136 -0.000 -0.000) 1.136 8.910 ( -13.342 0.000 0.000) 13.342 9.326 ( -9.969 0.000 0.000) 9.969 9.751 ( 30.938 -0.000 -0.000) 30.938 13.319 ( -16.375 0.000 0.000) 16.375 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.818 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 -0.000 0.000) 0.000 7.395 ( -0.000 0.000 -0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.219 ( -0.000 0.000 0.000) 0.000 9.507 ( 0.000 -0.000 0.000) 0.000 13.605 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 0.000 -0.000 30.245) 30.245 0.278 ( 0.000 -0.000 30.245) 30.245 0.501 ( 0.000 -0.000 54.455) 54.455 2.918 ( -0.000 0.000 -3.394) 3.394 2.918 ( -0.000 0.000 -3.394) 3.394 5.307 ( 0.000 -0.000 0.282) 0.282 5.307 ( 0.000 -0.000 0.282) 0.282 5.385 ( -0.000 0.000 -6.451) 6.451 8.956 ( 0.000 -0.000 0.412) 0.412 8.956 ( 0.000 -0.000 0.412) 0.412 9.477 ( 0.000 -0.000 0.510) 0.510 14.750 ( 0.000 -0.000 0.248) 0.248 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 22.305 12.878 11.667) 28.275 0.692 ( 17.562 10.140 22.159) 30.038 1.315 ( 41.412 23.909 24.524) 53.740 2.971 ( 4.815 2.780 -2.701) 6.181 3.268 ( 19.113 11.035 -14.408) 26.356 4.552 ( -15.479 -8.937 10.762) 20.864 5.329 ( 1.792 1.034 0.322) 2.094 5.491 ( 11.541 6.663 4.814) 14.169 8.950 ( -0.737 -0.425 0.655) 1.074 9.339 ( -7.219 -4.168 -7.332) 11.101 11.559 ( 55.962 32.310 -83.434) 105.532 14.262 ( -20.228 -11.679 14.320) 27.397 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 21.426 12.370 10.138) 26.738 1.210 ( 23.082 13.326 5.430) 27.200 2.235 ( 32.353 18.679 15.681) 40.516 3.124 ( 9.320 5.381 -1.795) 10.911 3.792 ( 30.880 17.828 -10.890) 37.283 4.343 ( -5.871 -3.390 -0.675) 6.813 5.387 ( 3.053 1.763 0.251) 3.535 5.837 ( 16.802 9.701 4.701) 19.963 8.931 ( -0.993 -0.574 0.691) 1.339 9.083 ( -12.854 -7.421 -6.395) 16.162 11.985 ( 3.350 1.934 -10.011) 10.732 13.972 ( -6.331 -3.655 -13.187) 15.078 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 19.810 11.437 2.664) 23.029 1.718 ( 23.067 13.318 2.139) 26.721 2.868 ( 20.527 11.851 8.800) 25.283 3.387 ( 14.040 8.106 -0.842) 16.233 4.235 ( 0.161 0.093 -2.821) 2.828 4.593 ( 36.866 21.285 -7.959) 43.307 5.464 ( 3.584 2.069 0.186) 4.143 6.260 ( 18.784 10.845 4.557) 22.163 8.740 ( -15.238 -8.797 -4.638) 18.196 8.915 ( -0.383 -0.221 0.512) 0.677 11.808 ( -17.540 -10.127 13.201) 24.175 13.865 ( 0.927 0.535 -22.479) 22.505 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 14.895 8.599 0.977) 17.227 2.242 ( 22.741 13.130 -2.600) 26.388 3.244 ( 11.405 6.585 1.854) 13.299 3.746 ( 17.186 9.922 -0.357) 19.848 4.295 ( 6.345 3.663 1.664) 7.513 5.382 ( 32.207 18.595 -8.520) 38.153 5.546 ( 3.433 1.982 0.303) 3.976 6.708 ( 19.205 11.088 3.757) 22.492 8.396 ( -13.175 -7.607 -1.892) 15.331 8.922 ( 0.947 0.546 0.249) 1.121 11.336 ( -26.432 -15.261 14.134) 33.635 13.840 ( 1.751 1.011 -18.191) 18.303 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 10.366 5.985 0.152) 11.971 2.715 ( 19.079 11.015 -4.197) 22.427 3.430 ( 6.265 3.617 -3.135) 7.884 4.137 ( 16.682 9.631 -0.570) 19.271 4.534 ( 13.125 7.578 5.309) 16.058 5.618 ( 2.744 1.584 0.606) 3.225 5.935 ( 17.794 10.274 -8.844) 22.370 7.125 ( 15.172 8.760 1.952) 17.628 8.188 ( -3.408 -1.968 1.604) 4.249 8.961 ( 2.375 1.371 0.066) 2.744 10.740 ( -28.227 -16.297 9.705) 34.008 13.817 ( 0.123 0.071 -11.778) 11.779 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 6.665 3.848 -0.066) 7.696 3.046 ( 10.325 5.961 -3.188) 12.341 3.568 ( 7.773 4.488 -4.553) 10.064 4.475 ( 12.792 7.386 -0.853) 14.796 4.895 ( 16.707 9.646 5.173) 19.974 5.672 ( 1.699 0.981 0.818) 2.126 6.130 ( 2.056 1.187 -8.241) 8.577 7.351 ( 4.694 2.710 1.112) 5.533 8.290 ( 10.222 5.901 3.574) 12.332 9.024 ( 2.970 1.715 -0.004) 3.430 10.153 ( -24.387 -14.080 5.334) 28.660 13.776 ( -1.034 -0.597 -6.827) 6.930 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 3.347 1.932 0.036) 3.865 3.179 ( 3.131 1.807 -1.838) 4.055 3.740 ( 7.168 4.138 -3.026) 8.812 4.701 ( 7.008 4.046 -0.503) 8.108 5.307 ( 17.821 10.289 2.971) 20.792 5.700 ( 0.588 0.340 0.601) 0.907 6.014 ( -9.214 -5.320 -6.484) 12.459 7.408 ( 1.003 0.579 0.642) 1.325 8.548 ( 9.099 5.253 4.111) 11.282 9.084 ( 2.072 1.196 -0.055) 2.393 9.709 ( -14.670 -8.470 2.178) 17.079 13.739 ( -0.658 -0.380 -3.491) 3.573 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 0.108 0.062 0.317) 0.341 3.213 ( 0.539 0.311 -0.799) 1.013 3.837 ( 1.403 0.810 -0.019) 1.621 4.784 ( 0.272 0.157 0.323) 0.450 5.612 ( -5.038 -2.909 -1.399) 5.983 5.704 ( -0.267 -0.154 -0.007) 0.309 5.794 ( 4.995 2.884 -3.289) 6.639 7.415 ( -0.342 -0.198 -0.386) 0.553 8.667 ( -0.470 -0.271 4.766) 4.797 9.109 ( 0.000 0.000 -0.113) 0.113 9.534 ( -0.665 -0.384 0.262) 0.811 13.735 ( 1.105 0.638 -1.065) 1.662 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -3.147 -1.817 0.747) 3.709 3.201 ( -1.847 -1.066 0.410) 2.171 3.801 ( -4.769 -2.754 3.372) 6.457 4.711 ( -6.854 -3.957 0.596) 7.936 5.226 ( -19.432 -11.219 -5.435) 23.087 5.690 ( -0.879 -0.508 -0.439) 1.106 6.065 ( 10.936 6.314 -1.453) 12.711 7.395 ( -1.124 -0.649 -0.570) 1.418 8.551 ( -10.560 -6.097 4.640) 13.047 9.084 ( -2.049 -1.183 -0.097) 2.368 9.676 ( 12.826 7.405 -1.368) 14.873 13.785 ( 3.158 1.824 1.282) 3.866 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -6.538 -3.775 1.368) 7.672 3.102 ( -8.137 -4.698 2.680) 9.771 3.663 ( -7.893 -4.557 5.471) 10.630 4.480 ( -13.256 -7.653 -0.340) 15.310 4.774 ( -17.686 -10.211 -7.593) 21.788 5.660 ( -1.617 -0.934 -0.325) 1.896 6.194 ( -0.241 -0.139 -1.906) 1.926 7.357 ( -3.364 -1.942 1.943) 4.344 8.269 ( -12.666 -7.313 1.652) 14.718 9.024 ( -2.948 -1.702 -0.000) 3.404 10.073 ( 21.693 12.524 -3.106) 25.241 13.879 ( 4.232 2.444 3.841) 6.216 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -10.453 -6.035 2.256) 12.279 2.816 ( -18.105 -10.453 6.215) 21.810 3.486 ( -9.460 -5.462 3.097) 11.354 4.124 ( -17.222 -9.943 -1.991) 19.986 4.414 ( -11.139 -6.431 -7.438) 14.857 5.613 ( -2.555 -1.475 0.023) 2.950 6.007 ( -16.018 -9.248 -1.806) 18.584 7.148 ( -17.182 -9.920 4.780) 20.408 8.150 ( 4.524 2.612 -2.263) 5.693 8.960 ( -2.452 -1.416 0.040) 2.832 10.602 ( 24.968 14.415 -4.798) 29.227 13.989 ( 3.873 2.236 6.182) 7.630 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -15.445 -8.917 3.473) 18.169 2.345 ( -24.480 -14.133 7.812) 29.327 3.206 ( -15.960 -9.215 -1.664) 18.504 3.716 ( -17.112 -9.879 -3.475) 20.062 4.244 ( -2.460 -1.420 -3.864) 4.796 5.463 ( -30.720 -17.736 -0.652) 35.479 5.545 ( -3.368 -1.945 0.224) 3.896 6.690 ( -21.783 -12.576 2.248) 25.253 8.398 ( 15.465 8.929 -1.773) 17.945 8.919 ( -1.135 -0.656 -0.055) 1.312 11.147 ( 23.835 13.761 -5.852) 28.137 14.084 ( 2.493 1.439 7.415) 7.954 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -20.972 -12.108 5.050) 24.737 1.779 ( -26.840 -15.496 7.873) 31.977 2.742 ( -24.267 -14.011 -3.859) 28.286 3.355 ( -13.150 -7.592 -4.227) 15.762 4.246 ( 2.502 1.444 -1.226) 3.138 4.674 ( -36.350 -20.987 -0.182) 41.974 5.464 ( -3.664 -2.116 0.218) 4.237 6.216 ( -20.004 -11.549 0.301) 23.100 8.774 ( 16.998 9.814 -1.304) 19.671 8.909 ( 0.203 0.117 -0.173) 0.291 11.630 ( 19.821 11.443 -5.756) 23.600 14.143 ( 0.784 0.453 6.339) 6.403 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -26.664 -15.394 9.386) 32.187 1.230 ( -24.900 -14.376 7.484) 29.710 2.056 ( -35.621 -20.566 -2.371) 41.199 3.101 ( -8.008 -4.623 -4.251) 10.177 3.891 ( -29.452 -17.004 -0.913) 34.021 4.342 ( 4.919 2.840 -0.071) 5.680 5.386 ( -3.163 -1.826 0.161) 3.656 5.788 ( -17.316 -9.998 0.134) 19.995 8.923 ( 0.943 0.545 -0.139) 1.098 9.128 ( 13.957 8.058 -2.005) 16.240 11.995 ( 13.477 7.781 -9.253) 18.105 14.159 ( -0.470 -0.272 3.361) 3.404 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 25.632 19.621) 32.280 0.834 ( 0.000 25.795 20.415) 32.896 1.294 ( 0.000 40.233 28.157) 49.107 2.909 ( -0.000 3.307 -7.059) 7.796 3.257 ( -0.000 23.982 -12.229) 26.920 4.596 ( 0.000 -21.139 9.445) 23.153 5.331 ( -0.000 2.109 0.407) 2.148 5.481 ( 0.000 12.587 3.941) 13.189 8.947 ( 0.000 -1.044 0.475) 1.147 9.310 ( -0.000 -8.141 -9.334) 12.385 11.265 ( -0.000 72.693 -75.732) 104.975 14.352 ( 0.000 -20.983 11.237) 23.802 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 4.831 21.817 20.077) 30.040 1.231 ( 8.250 28.847 9.586) 31.498 2.018 ( 24.656 30.099 19.152) 43.367 3.013 ( 8.429 5.488 -6.263) 11.849 3.600 ( 13.959 28.968 -11.141) 34.031 4.385 ( -5.440 -9.345 -0.407) 10.821 5.381 ( 1.999 3.743 0.368) 4.260 5.728 ( 10.023 14.531 4.449) 18.205 8.936 ( -0.233 -1.104 0.578) 1.268 9.129 ( -6.147 -11.781 -8.386) 15.713 11.786 ( 16.615 16.505 -27.340) 36.000 14.076 ( -12.031 -7.951 -4.413) 15.081 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 12.606 18.563 11.766) 25.336 1.693 ( 10.884 26.261 3.985) 28.705 2.690 ( 19.956 17.526 11.970) 29.132 3.254 ( 12.406 10.256 -3.689) 16.514 4.177 ( 12.690 14.950 -10.179) 22.094 4.301 ( 12.878 12.182 -3.816) 18.133 5.469 ( 2.230 6.474 0.361) 6.856 6.099 ( 14.712 13.710 4.987) 20.719 8.831 ( -9.969 -13.145 -6.690) 17.803 8.931 ( -0.804 -0.028 0.584) 0.994 11.908 ( -1.955 -9.913 6.551) 12.042 13.842 ( -6.053 1.100 -20.331) 21.242 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 14.380 14.803 5.555) 21.372 2.132 ( 11.743 22.758 -0.124) 25.610 3.122 ( 12.645 9.237 4.231) 16.221 3.606 ( 14.427 15.234 -1.532) 21.037 4.225 ( 4.526 0.935 -1.909) 5.000 5.001 ( 29.791 22.707 -9.362) 38.610 5.592 ( 2.075 11.965 0.335) 12.148 6.514 ( 17.167 11.720 5.076) 21.397 8.499 ( -11.046 -12.245 -4.298) 17.042 8.937 ( -0.156 2.439 0.510) 2.497 11.609 ( -18.418 -18.879 15.505) 30.594 13.757 ( 0.741 1.807 -21.470) 21.558 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 9.907 11.677 2.453) 15.508 2.553 ( 14.221 18.286 -2.785) 23.332 3.347 ( 6.770 3.885 -2.096) 8.082 4.011 ( 13.906 17.194 -0.858) 22.130 4.399 ( 11.580 5.505 2.997) 13.168 5.505 ( 14.222 3.849 -5.738) 15.812 5.841 ( 8.145 22.588 -4.044) 24.350 6.935 ( 17.614 9.215 4.261) 20.330 8.230 ( -6.420 -7.759 -0.960) 10.116 8.980 ( 0.434 5.578 0.360) 5.607 11.069 ( -26.011 -19.661 12.188) 34.809 13.735 ( 2.504 -1.837 -14.935) 15.255 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 5.481 9.666 1.006) 11.158 2.924 ( 11.731 11.440 -3.104) 16.677 3.470 ( 6.484 3.136 -4.472) 8.478 4.387 ( 10.796 15.726 -0.943) 19.099 4.716 ( 15.681 7.764 4.646) 18.104 5.657 ( 4.323 2.644 -2.378) 5.597 6.118 ( 2.566 13.161 -7.246) 15.241 7.268 ( 10.272 4.709 2.568) 11.588 8.182 ( 6.190 -0.155 2.568) 6.704 9.062 ( 0.390 9.233 0.391) 9.250 10.457 ( -26.579 -17.325 7.194) 32.533 13.705 ( 2.428 -5.319 -8.947) 10.688 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 2.025 7.820 0.459) 8.091 3.130 ( 4.893 3.980 -2.329) 6.724 3.630 ( 8.832 4.273 -3.783) 10.515 4.667 ( 6.015 12.199 -0.770) 13.623 5.093 ( 17.473 7.602 3.535) 19.381 5.721 ( 1.051 2.715 -2.545) 3.867 6.136 ( -8.061 5.794 -5.697) 11.446 7.397 ( 2.166 1.711 1.242) 3.027 8.397 ( 13.183 1.780 4.561) 14.063 9.169 ( -1.166 13.008 0.584) 13.073 9.908 ( -20.787 -13.157 3.186) 24.806 13.665 ( 2.950 -7.235 -4.994) 9.273 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -1.167 5.899 0.365) 6.024 3.195 ( 1.634 0.858 -1.556) 2.414 3.785 ( 5.634 1.682 -1.428) 6.051 4.821 ( 0.290 8.002 0.004) 8.007 5.437 ( 13.187 0.794 1.516) 13.298 5.736 ( 1.234 0.849 -5.311) 5.518 5.980 ( -14.590 9.147 -1.670) 17.301 7.423 ( -0.345 0.780 -0.075) 0.857 8.599 ( 7.617 -2.874 5.846) 10.023 9.269 ( -5.602 17.060 0.468) 17.962 9.549 ( -7.845 -8.957 0.812) 11.934 13.644 ( 4.771 -7.371 -2.505) 9.131 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -4.288 3.804 0.536) 5.758 3.209 ( 0.016 -0.253 -0.630) 0.680 3.830 ( -0.287 -1.834 1.483) 2.376 4.829 ( -6.458 3.913 0.549) 7.571 5.356 ( -11.415 -12.996 -3.954) 17.743 5.787 ( -2.379 3.760 -1.208) 4.610 5.981 ( 3.709 14.877 -2.280) 15.501 7.409 ( -1.306 -0.032 -0.779) 1.521 8.609 ( -2.534 -8.268 6.724) 10.954 9.257 ( -11.537 11.421 -0.315) 16.237 9.536 ( 8.977 2.865 -0.223) 9.426 13.675 ( 7.264 -6.128 -0.511) 9.517 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -7.379 1.437 0.937) 7.576 3.176 ( -3.451 -1.641 0.758) 3.896 3.756 ( -5.625 -3.969 4.396) 8.168 4.675 ( -13.767 -0.431 -0.347) 13.778 4.952 ( -17.656 -11.151 -5.693) 21.645 5.751 ( -5.761 4.874 0.020) 7.546 6.177 ( 3.988 7.480 -4.172) 9.448 7.379 ( -1.427 -1.188 0.505) 1.924 8.402 ( -11.326 -11.229 5.301) 16.807 9.159 ( -9.826 6.539 -0.092) 11.803 9.837 ( 17.799 10.683 -1.691) 20.828 13.765 ( 8.976 -4.421 1.526) 10.121 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -10.650 -1.451 1.645) 10.873 3.029 ( -12.149 -4.164 3.557) 13.326 3.605 ( -8.633 -4.432 4.732) 10.796 4.360 ( -18.451 -4.812 -2.803) 19.273 4.556 ( -16.066 -5.723 -5.906) 18.049 5.689 ( -5.810 2.116 0.274) 6.190 6.176 ( -8.977 1.878 -4.947) 10.421 7.293 ( -8.082 -7.498 4.828) 12.035 8.141 ( -5.479 -5.193 0.200) 7.551 9.057 ( -7.794 3.776 0.072) 8.661 10.309 ( 23.438 13.090 -2.643) 26.976 13.892 ( 8.915 -3.066 3.235) 9.968 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -14.805 -5.429 2.862) 16.027 2.697 ( -22.496 -4.989 6.245) 23.874 3.382 ( -13.475 -6.072 0.913) 14.808 3.968 ( -20.698 -4.294 -3.309) 21.397 4.288 ( -7.729 -2.151 -4.829) 9.364 5.576 ( -7.926 -4.678 -0.109) 9.204 5.878 ( -23.803 0.594 -3.625) 24.084 6.935 ( -20.242 -13.959 5.152) 25.123 8.210 ( 12.343 4.260 -2.284) 13.256 8.975 ( -5.042 2.062 0.092) 5.448 10.844 ( 24.785 12.265 -2.889) 27.805 14.016 ( 7.190 -2.313 3.678) 8.401 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -20.618 -10.155 4.821) 23.483 2.238 ( -28.250 -2.681 6.134) 29.032 3.019 ( -20.954 -7.597 -1.220) 22.322 3.572 ( -19.570 -2.627 -3.771) 20.102 4.217 ( 0.635 0.467 -2.550) 2.669 5.122 ( -33.566 -13.289 -2.457) 36.185 5.587 ( -11.138 3.933 0.025) 11.812 6.463 ( -20.839 -10.859 2.519) 23.633 8.534 ( 18.641 5.712 -2.269) 19.628 8.929 ( -2.240 1.135 0.057) 2.512 11.355 ( 22.835 9.567 -2.038) 24.842 14.104 ( 4.502 -2.158 1.710) 5.277 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -25.410 -10.685 7.339) 28.525 1.727 ( -30.833 -2.431 5.039) 31.337 2.512 ( -30.805 -5.798 1.605) 31.386 3.252 ( -14.310 -0.405 -3.835) 14.820 4.268 ( 3.792 1.388 -1.055) 4.173 4.354 ( -38.109 -9.221 -3.533) 39.367 5.467 ( -6.689 1.079 0.243) 6.779 6.038 ( -20.003 -5.716 1.780) 20.880 8.896 ( 17.053 3.530 -3.252) 17.715 8.921 ( 1.234 0.939 0.352) 1.590 11.781 ( 17.886 6.368 -1.956) 19.086 14.132 ( 1.868 -2.785 -3.159) 4.608 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.000 26.583 15.862) 30.955 1.458 ( 0.000 25.249 16.329) 30.069 2.187 ( 0.000 34.402 16.498) 38.153 2.973 ( -0.000 8.708 -9.530) 12.909 3.781 ( -0.000 36.088 -9.984) 37.444 4.323 ( 0.000 -10.313 -3.004) 10.742 5.392 ( -0.000 3.681 0.447) 3.708 5.836 ( -0.000 20.246 4.165) 20.670 8.926 ( 0.000 -1.195 0.498) 1.295 9.018 ( -0.000 -15.161 -9.065) 17.665 11.731 ( -0.000 11.847 -16.011) 19.917 14.088 ( -0.000 -7.353 -8.370) 11.141 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -0.037 23.136 15.655) 27.934 1.845 ( 6.141 27.266 7.934) 29.054 2.650 ( 11.530 23.460 12.347) 28.910 3.142 ( 10.446 12.645 -7.874) 18.194 4.162 ( 2.766 11.707 -12.281) 17.191 4.268 ( 7.286 20.904 -3.304) 22.383 5.474 ( 4.238 5.360 0.491) 6.851 6.108 ( 5.512 20.783 4.941) 22.062 8.788 ( -4.823 -16.489 -7.850) 18.889 8.928 ( 0.861 -0.578 0.481) 1.143 11.790 ( 4.019 -8.553 3.050) 9.931 13.929 ( -7.819 -0.226 -16.803) 18.535 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 5.466 19.570 10.343) 22.800 2.229 ( 6.357 25.476 2.289) 26.357 3.044 ( 9.995 12.774 5.115) 17.007 3.508 ( 15.614 17.861 -3.243) 23.945 4.151 ( 3.018 -0.345 -5.363) 6.164 4.819 ( 17.819 30.295 -9.389) 36.380 5.648 ( 6.709 11.555 0.481) 13.370 6.440 ( 8.804 17.875 5.688) 20.721 8.500 ( -7.067 -15.647 -5.820) 18.129 8.955 ( 1.364 2.200 0.615) 2.661 11.655 ( -5.708 -21.889 13.402) 26.293 13.763 ( -6.000 3.098 -20.226) 21.323 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 7.827 15.528 5.962) 18.382 2.577 ( 6.748 22.117 -1.158) 23.153 3.272 ( 6.097 5.342 -1.998) 8.349 3.961 ( 14.729 20.813 -0.692) 25.507 4.275 ( 9.503 5.457 -0.002) 10.958 5.294 ( 14.692 12.955 -9.267) 21.670 5.948 ( 8.177 22.296 -1.398) 23.790 6.787 ( 11.861 12.885 5.962) 18.500 8.234 ( -5.755 -11.496 -3.094) 13.223 9.027 ( 1.928 6.422 0.698) 6.742 11.266 ( -16.714 -24.386 12.854) 32.237 13.657 ( -1.825 -0.627 -16.226) 16.340 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 5.790 12.943 3.281) 14.554 2.884 ( 7.329 15.866 -2.166) 17.610 3.384 ( 5.122 2.763 -5.291) 7.865 4.387 ( 10.966 20.155 0.165) 22.945 4.556 ( 13.534 8.957 2.731) 16.458 5.542 ( 9.258 3.580 -7.545) 12.468 6.263 ( 1.452 21.757 -3.797) 22.134 7.127 ( 13.094 7.711 5.272) 16.085 8.099 ( 1.152 -4.838 -0.161) 4.976 9.152 ( 2.089 11.167 1.076) 11.412 10.728 ( -22.783 -20.587 8.111) 31.759 13.574 ( 0.922 -6.787 -10.366) 12.425 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 2.026 11.593 1.582) 11.875 3.093 ( 4.333 6.595 -1.932) 8.124 3.512 ( 8.048 4.258 -4.709) 10.250 4.719 ( 5.829 17.643 -0.416) 18.586 4.902 ( 15.121 8.748 3.382) 17.794 5.661 ( 5.377 0.173 -7.261) 9.037 6.380 ( -7.836 16.728 -2.854) 18.692 7.365 ( 5.805 4.057 3.082) 7.724 8.193 ( 11.559 -0.991 2.698) 11.911 9.310 ( 1.239 12.974 2.012) 13.187 10.180 ( -23.199 -11.681 3.146) 26.163 13.491 ( 3.241 -11.814 -5.975) 13.630 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( -1.566 10.095 0.694) 10.239 3.171 ( 1.808 1.554 -1.754) 2.960 3.682 ( 7.789 2.548 -2.337) 8.522 4.925 ( 0.379 13.792 -0.402) 13.803 5.240 ( 13.797 5.281 2.529) 14.988 5.686 ( 1.845 -2.164 -7.815) 8.316 6.350 ( -13.369 17.053 -0.489) 21.674 7.443 ( -0.110 2.470 0.608) 2.547 8.407 ( 12.523 -3.784 5.208) 14.081 9.413 ( 0.197 -0.179 2.986) 2.998 9.797 ( -19.180 11.363 -0.697) 22.304 13.427 ( 6.394 -14.372 -3.363) 16.085 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( -4.904 8.050 0.376) 9.433 3.196 ( 0.929 0.109 -1.228) 1.543 3.787 ( 3.761 -0.967 -0.004) 3.883 4.999 ( -5.256 9.440 0.037) 10.804 5.366 ( -2.372 -6.414 -1.296) 6.960 5.717 ( 7.010 2.020 -4.936) 8.808 6.294 ( -13.586 19.997 -0.022) 24.175 7.439 ( -1.997 1.128 -0.903) 2.465 8.524 ( 5.190 -8.523 7.190) 12.300 9.353 ( 2.432 -10.064 -0.089) 10.354 9.736 ( -14.769 28.058 0.243) 31.709 13.420 ( 10.344 -13.948 -1.726) 17.450 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -8.058 5.364 0.420) 9.689 3.197 ( -0.442 -0.513 -0.475) 0.827 3.791 ( -1.196 -3.096 2.221) 3.993 4.913 ( -12.533 2.227 -1.124) 12.779 5.123 ( -13.971 -5.920 -2.528) 15.383 5.829 ( 2.585 0.973 -1.800) 3.297 6.304 ( -7.283 19.034 -2.573) 20.542 7.401 ( -2.347 -0.646 -0.599) 2.507 8.446 ( -4.781 -12.160 7.150) 14.895 9.336 ( 0.545 -1.921 -0.722) 2.124 9.809 ( -3.972 22.492 -0.248) 22.841 13.498 ( 13.492 -11.152 -0.273) 17.506 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -11.085 2.061 0.781) 11.302 3.152 ( -4.671 -1.168 0.777) 4.877 3.706 ( -5.729 -3.454 3.480) 7.541 4.602 ( -17.960 -6.392 -3.878) 19.454 4.831 ( -18.293 1.964 -1.247) 18.441 5.805 ( -4.580 -0.091 -0.737) 4.640 6.356 ( -6.553 14.097 -5.149) 16.377 7.333 ( -3.724 -5.204 2.679) 6.937 8.208 ( -9.342 -10.252 3.693) 14.353 9.268 ( -9.197 3.674 0.235) 9.906 10.088 ( 14.625 14.789 -1.307) 20.840 13.646 ( 14.214 -7.672 0.818) 16.173 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -14.445 -1.395 1.569) 14.597 2.993 ( -13.521 -1.581 2.533) 13.847 3.545 ( -10.393 -3.649 1.602) 11.131 4.239 ( -16.297 -3.969 -2.969) 17.034 4.510 ( -19.888 1.858 -2.157) 20.091 5.682 ( -7.980 -2.483 -1.126) 8.433 6.269 ( -16.998 10.629 -5.370) 20.754 7.113 ( -13.933 -13.389 6.268) 20.315 8.083 ( 3.244 -0.791 -0.860) 3.448 9.132 ( -9.758 2.999 0.344) 10.214 10.539 ( 22.693 10.359 -0.697) 24.955 13.818 ( 12.393 -4.804 0.569) 13.304 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -18.990 -3.612 2.743) 19.524 2.671 ( -22.746 -1.803 2.230) 22.926 3.285 ( -16.098 -3.004 -0.060) 16.376 3.913 ( -20.665 0.083 -1.246) 20.703 4.261 ( -7.930 0.942 -2.232) 8.292 5.451 ( -16.411 -4.316 -2.968) 17.226 5.960 ( -25.129 6.053 -2.219) 25.943 6.712 ( -18.632 -9.629 4.481) 21.446 8.267 ( 15.503 2.406 -1.828) 15.795 9.014 ( -6.347 1.216 0.303) 6.470 11.028 ( 24.367 6.176 1.426) 25.178 13.962 ( 8.801 -3.009 -2.122) 9.540 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -23.870 -2.121 3.966) 24.290 2.213 ( -28.043 -3.165 0.054) 28.221 2.955 ( -21.916 1.359 3.295) 22.204 3.553 ( -20.479 1.805 -1.350) 20.602 4.219 ( 0.985 0.895 -1.855) 2.283 4.961 ( -35.794 0.250 -4.805) 36.116 5.642 ( -13.865 0.046 0.168) 13.866 6.352 ( -19.223 -0.622 3.060) 19.475 8.583 ( 19.183 0.716 -2.662) 19.380 8.945 ( -2.611 0.014 0.379) 2.638 11.484 ( 22.692 2.170 4.855) 23.306 14.034 ( 4.276 -2.463 -8.076) 9.464 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 0.000 19.487 12.175) 22.978 2.059 ( 0.000 27.256 10.734) 29.294 2.832 ( 0.000 23.213 9.977) 25.266 3.159 ( -0.000 16.592 -9.153) 18.949 4.122 ( -0.000 -4.001 -9.136) 9.974 4.518 ( -0.000 39.885 -7.691) 40.620 5.476 ( -0.000 4.389 0.487) 4.416 6.317 ( -0.000 25.457 5.307) 26.004 8.630 ( -0.000 -18.209 -7.522) 19.702 8.913 ( 0.000 -0.282 0.447) 0.529 11.661 ( 0.000 -14.971 7.857) 16.907 13.948 ( -0.000 0.881 -17.684) 17.706 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -0.501 17.139 9.745) 19.722 2.400 ( 4.300 25.112 5.561) 26.077 3.085 ( 3.175 15.551 3.903) 16.345 3.433 ( 12.364 20.737 -5.053) 24.666 4.086 ( 2.060 0.232 -6.423) 6.749 4.921 ( 5.355 34.017 -9.178) 35.638 5.596 ( 8.360 6.739 0.536) 10.752 6.604 ( 1.086 26.147 5.723) 26.788 8.404 ( -3.035 -16.974 -5.794) 18.190 8.938 ( 2.425 1.298 0.446) 2.787 11.505 ( -0.318 -24.334 12.284) 27.261 13.852 ( -6.245 2.782 -18.089) 19.337 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 3.580 14.653 6.556) 16.447 2.712 ( 3.658 22.016 1.418) 22.363 3.249 ( 2.648 7.631 -3.609) 8.847 3.898 ( 16.634 22.050 -1.113) 27.642 4.189 ( 7.342 7.137 -1.013) 10.289 5.249 ( 5.389 18.611 -9.380) 21.526 5.912 ( 15.929 13.860 -0.597) 21.124 6.882 ( 0.636 23.074 5.695) 23.775 8.183 ( -3.522 -12.243 -3.453) 13.199 9.030 ( 4.620 5.095 0.628) 6.906 11.227 ( -5.908 -28.806 12.085) 31.792 13.699 ( -7.643 1.004 -15.376) 17.200 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 5.866 12.853 4.391) 14.796 2.960 ( 2.844 16.011 -0.230) 16.264 3.329 ( 2.785 4.625 -7.457) 9.206 4.371 ( 13.569 17.899 4.077) 22.828 4.460 ( 11.953 14.442 -1.338) 18.795 5.435 ( 5.323 7.558 -8.881) 12.819 6.333 ( 14.049 15.895 -2.265) 21.335 7.112 ( 2.060 16.034 5.836) 17.187 8.047 ( -1.234 -4.910 -1.479) 5.274 9.197 ( 5.544 9.979 1.320) 11.492 10.827 ( -12.034 -25.967 8.272) 29.792 13.523 ( -6.036 -4.739 -10.758) 13.215 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 4.526 11.850 2.706) 12.970 3.109 ( 1.499 6.895 -0.756) 7.097 3.427 ( 5.328 6.170 -6.552) 10.459 4.740 ( 11.914 12.186 6.362) 18.191 4.818 ( 9.356 18.287 -3.005) 20.760 5.539 ( 5.206 1.141 -8.792) 10.281 6.624 ( 1.638 16.433 -2.253) 16.668 7.323 ( 5.975 8.869 5.917) 12.222 8.041 ( 4.174 -0.928 -0.384) 4.293 9.387 ( 2.971 8.732 3.005) 9.700 10.412 ( -14.054 -12.133 2.912) 18.793 13.337 ( -2.775 -12.020 -6.477) 13.933 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 0.741 10.918 0.994) 10.988 3.163 ( 0.614 2.335 -1.043) 2.630 3.573 ( 6.903 3.781 -3.345) 8.552 5.047 ( 5.109 14.165 2.121) 15.206 5.103 ( 9.211 10.539 0.462) 14.004 5.585 ( 4.045 -2.235 -8.482) 9.659 6.728 ( -8.134 18.914 -0.415) 20.593 7.480 ( 1.203 5.820 2.931) 6.627 8.159 ( 11.478 -4.260 2.244) 12.447 9.391 ( -3.673 -10.001 3.757) 11.297 10.234 ( -10.571 19.578 -0.829) 22.265 13.164 ( 2.428 -18.453 -3.658) 18.968 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -3.089 9.160 -0.065) 9.667 3.183 ( 0.005 1.355 -0.768) 1.558 3.694 ( 5.763 -0.388 -0.892) 5.844 5.180 ( -3.726 11.218 -1.011) 11.863 5.315 ( 4.980 1.347 1.766) 5.453 5.612 ( 4.884 0.380 -6.569) 8.194 6.742 ( -13.262 21.412 0.779) 25.198 7.503 ( -3.495 3.483 -0.636) 4.975 8.312 ( 11.304 -9.157 5.706) 15.626 9.207 ( -0.479 -14.824 0.897) 14.859 10.314 ( -14.644 33.668 -0.190) 36.715 13.058 ( 9.925 -21.162 -2.183) 23.475 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( -7.540 7.404 0.054) 10.568 3.189 ( 0.382 -0.071 -0.808) 0.896 3.752 ( 2.778 -2.572 0.590) 3.832 5.116 ( -10.283 -0.396 -2.136) 10.510 5.297 ( -7.682 3.854 0.424) 8.605 5.728 ( 7.361 0.871 -3.538) 8.214 6.711 ( -14.842 21.430 0.165) 26.068 7.449 ( -4.145 0.283 -1.547) 4.433 8.360 ( 3.585 -12.095 6.931) 14.394 9.159 ( 8.677 -8.643 -0.767) 12.271 10.328 ( -20.640 29.860 0.183) 36.300 13.091 ( 16.982 -17.593 -1.221) 24.482 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( -11.073 3.792 0.344) 11.709 3.186 ( -0.637 -0.228 -0.403) 0.787 3.742 ( -1.191 -2.709 0.903) 3.094 4.839 ( -16.903 -4.597 -1.617) 17.591 5.157 ( -14.790 5.481 -0.064) 15.773 5.804 ( 2.528 -1.511 -2.947) 4.167 6.673 ( -12.269 18.595 -1.883) 22.357 7.360 ( -4.390 -3.997 0.867) 6.001 8.244 ( -4.830 -10.908 4.496) 12.749 9.279 ( 9.046 -2.620 0.194) 9.420 10.247 ( -14.104 19.178 -0.472) 23.810 13.268 ( 19.443 -10.468 -0.584) 22.089 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -13.726 0.592 0.843) 13.764 3.141 ( -5.049 -0.377 0.233) 5.068 3.658 ( -5.954 -2.348 -0.990) 6.476 4.493 ( -18.104 -1.889 0.585) 18.211 4.893 ( -20.547 2.804 -0.991) 20.761 5.764 ( -4.052 -1.476 -2.986) 5.245 6.627 ( -12.232 13.617 -3.861) 18.707 7.199 ( -8.543 -9.503 4.945) 13.702 8.077 ( -4.402 -4.029 0.689) 6.007 9.310 ( -5.524 0.684 0.967) 5.649 10.329 ( 9.218 7.940 -0.071) 12.167 13.514 ( 17.443 -4.465 -1.139) 18.041 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -16.413 -0.599 1.421) 16.485 2.975 ( -14.266 -1.459 -0.411) 14.346 3.489 ( -10.441 -1.083 -3.029) 10.925 4.219 ( -15.300 2.056 3.366) 15.800 4.534 ( -21.280 0.707 -1.516) 21.346 5.632 ( -9.169 0.175 -3.552) 9.835 6.426 ( -21.665 3.357 -3.068) 22.137 6.935 ( -14.156 -3.921 4.631) 15.402 8.080 ( 6.730 0.550 -0.603) 6.779 9.165 ( -9.977 -0.108 0.644) 9.998 10.664 ( 22.389 0.878 2.628) 22.560 13.744 ( 12.979 -0.980 -3.758) 13.548 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -19.430 1.300 1.762) 19.553 2.619 ( -23.527 -2.622 -3.055) 23.869 3.287 ( -13.536 2.827 0.017) 13.828 3.945 ( -21.723 2.333 1.856) 21.927 4.281 ( -7.992 2.045 -0.007) 8.250 5.432 ( -16.599 4.989 -4.856) 18.000 5.974 ( -26.301 -4.111 -0.860) 26.635 6.696 ( -17.032 6.027 2.826) 18.287 8.275 ( 15.109 -0.746 -1.056) 15.164 9.015 ( -6.320 -1.339 0.427) 6.475 11.079 ( 25.544 -3.884 6.837) 26.727 13.897 ( 7.214 0.268 -8.951) 11.499 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.000 11.775 6.058) 13.242 2.629 ( -0.000 24.533 6.433) 25.363 3.225 ( -0.000 13.055 -0.046) 13.055 3.519 ( -0.000 23.730 -5.244) 24.303 4.070 ( -0.000 4.638 -3.436) 5.772 5.187 ( -0.000 31.124 -9.357) 32.500 5.564 ( -0.000 4.133 0.599) 4.176 6.895 ( -0.000 29.115 5.279) 29.590 8.252 ( 0.000 -14.903 -4.236) 15.493 8.925 ( -0.000 1.282 0.298) 1.316 11.287 ( 0.000 -28.122 12.353) 30.715 13.882 ( -0.000 2.221 -16.361) 16.511 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 1.920 10.180 3.940) 11.083 2.884 ( 1.479 19.547 4.169) 20.042 3.306 ( -1.056 8.731 -7.657) 11.661 3.860 ( 12.137 23.792 -2.455) 26.822 4.179 ( 3.975 11.093 2.127) 11.974 5.388 ( -2.358 18.087 -8.355) 20.063 5.748 ( 14.075 8.365 -0.485) 16.380 7.169 ( -2.041 25.299 3.894) 25.678 8.114 ( -1.474 -7.247 -1.676) 7.583 8.986 ( 4.853 3.349 0.321) 5.905 11.020 ( -1.416 -31.226 11.134) 33.182 13.794 ( -6.372 0.786 -13.732) 15.159 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 5.294 9.814 3.012) 11.550 3.066 ( 0.999 10.324 2.137) 10.590 3.350 ( -0.240 9.838 -10.542) 14.421 4.324 ( 14.975 20.390 1.070) 25.321 4.423 ( 8.294 15.190 2.778) 17.528 5.462 ( -1.014 9.152 -7.998) 12.197 6.130 ( 19.859 8.121 -0.669) 21.466 7.328 ( -3.506 14.949 2.613) 15.575 8.066 ( -2.775 4.849 0.136) 5.589 9.164 ( 8.957 7.898 0.907) 11.976 10.695 ( -3.742 -30.734 8.055) 31.991 13.605 ( -10.225 -2.642 -10.159) 14.654 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 6.877 9.562 2.445) 12.029 3.139 ( 0.755 2.375 -0.258) 2.506 3.436 ( 0.916 11.173 -7.700) 13.600 4.698 ( 9.379 13.767 7.176) 18.138 4.799 ( 13.552 18.069 -3.026) 22.788 5.490 ( 0.018 3.402 -8.236) 8.911 6.547 ( 18.954 7.758 -0.188) 20.481 7.400 ( -0.629 7.637 3.653) 8.489 8.080 ( -5.028 9.790 -0.598) 11.022 9.403 ( 5.901 7.682 2.848) 10.097 10.391 ( -1.236 -19.693 3.169) 19.984 13.340 ( -11.289 -8.228 -6.493) 15.405 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 4.270 7.843 0.503) 8.944 3.173 ( 2.013 2.061 0.313) 2.898 3.531 ( 1.788 6.602 -4.430) 8.149 5.003 ( 9.538 11.164 5.459) 15.665 5.145 ( 8.015 15.144 -2.075) 17.259 5.485 ( 1.438 -1.069 -7.953) 8.153 6.892 ( 9.249 12.161 -0.412) 15.284 7.511 ( 4.575 4.898 5.701) 8.799 8.065 ( -4.364 4.448 -1.822) 6.492 9.383 ( -6.918 -12.003 3.955) 14.408 10.431 ( 8.622 13.827 -0.694) 16.310 13.028 ( -9.171 -15.867 -3.629) 18.682 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 1.046 1.252 -1.420) 2.163 3.270 ( 0.122 8.888 1.408) 9.000 3.599 ( 3.592 0.193 -1.837) 4.039 5.252 ( 6.337 5.400 3.131) 8.895 5.329 ( -0.622 10.759 -1.164) 10.839 5.506 ( 5.582 -0.085 -6.328) 8.438 7.095 ( -2.371 17.874 0.228) 18.032 7.627 ( -2.374 6.868 2.811) 7.792 8.047 ( 6.342 -8.035 0.996) 10.285 9.105 ( -6.012 -16.876 1.505) 17.978 10.789 ( 1.590 33.259 -0.364) 33.299 12.721 ( -0.897 -24.642 -2.037) 24.743 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 1.055 0.412 -0.940) 1.472 3.304 ( -6.465 7.706 0.353) 10.065 3.656 ( 5.070 -2.863 -0.227) 5.827 5.242 ( -6.305 -1.127 -1.236) 6.523 5.441 ( -0.790 8.459 1.529) 8.632 5.604 ( 6.290 0.750 -3.980) 7.481 7.168 ( -11.815 20.257 1.694) 23.512 7.554 ( -8.938 1.604 -2.426) 9.399 8.128 ( 11.375 -12.076 4.998) 17.327 8.941 ( 4.083 -10.836 -0.342) 11.585 10.998 ( -18.871 33.598 0.224) 38.536 12.582 ( 16.477 -25.027 -1.371) 29.996 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 0.641 0.449 -0.479) 0.918 3.211 ( -10.195 3.084 0.224) 10.654 3.704 ( 2.902 -1.967 -0.422) 3.531 5.064 ( -12.671 -1.323 0.243) 12.742 5.419 ( -9.526 4.557 0.020) 10.560 5.704 ( 6.153 -0.443 -3.289) 6.991 7.093 ( -17.063 14.725 0.708) 22.549 7.411 ( -5.518 -3.402 -0.196) 6.485 8.169 ( 3.749 -8.757 2.729) 9.909 9.032 ( 13.447 -3.287 0.110) 13.844 10.808 ( -28.559 15.222 -0.067) 32.363 12.781 ( 25.096 -10.248 -0.922) 27.123 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( -12.485 -0.038 0.673) 12.503 3.184 ( -0.771 0.125 -0.293) 0.835 3.699 ( -1.612 -0.906 -2.461) 3.078 4.805 ( -17.261 1.283 2.797) 17.533 5.219 ( -15.817 -0.192 -0.967) 15.847 5.767 ( 1.856 0.822 -3.922) 4.416 6.914 ( -12.855 1.665 -0.508) 12.972 7.289 ( -7.259 -0.787 3.443) 8.073 8.118 ( -2.953 -2.093 -0.592) 3.667 9.257 ( 11.358 0.112 1.511) 11.458 10.454 ( -17.668 0.222 -0.299) 17.672 13.145 ( 22.136 -0.008 -1.433) 22.182 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -13.900 -1.108 0.974) 13.978 3.132 ( -5.901 -0.362 -0.714) 5.955 3.611 ( -6.490 0.149 -5.436) 8.467 4.548 ( -17.317 4.810 5.886) 18.912 4.888 ( -20.166 -2.374 -1.413) 20.354 5.749 ( -4.297 2.298 -4.495) 6.630 6.672 ( -11.707 -9.656 0.225) 15.177 7.171 ( -10.441 6.063 2.541) 12.339 8.061 ( -2.635 2.571 -0.918) 3.795 9.316 ( -5.893 -0.958 1.519) 6.160 10.345 ( 10.185 -6.921 1.602) 12.418 13.491 ( 16.501 3.770 -3.497) 17.283 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -14.980 0.224 0.925) 15.010 2.938 ( -16.111 -0.208 -3.288) 16.444 3.478 ( -7.852 2.344 -4.854) 9.524 4.327 ( -18.346 4.182 5.400) 19.577 4.532 ( -17.563 1.412 0.530) 17.628 5.653 ( -7.942 3.421 -4.121) 9.579 6.316 ( -18.612 -9.072 -0.865) 20.723 7.059 ( -13.721 10.682 0.975) 17.416 8.096 ( 4.583 1.467 0.490) 4.837 9.135 ( -9.924 -3.239 0.628) 10.458 10.598 ( 24.533 -9.578 5.521) 26.909 13.744 ( 10.139 3.980 -7.257) 13.088 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -0.000 7.386 1.658) 7.570 3.049 ( 0.000 12.187 4.337) 12.936 3.380 ( -0.000 10.280 -12.189) 15.945 3.982 ( -0.000 24.246 -2.014) 24.330 4.293 ( 0.000 16.025 5.899) 17.076 5.594 ( -0.000 15.688 -8.555) 17.869 5.640 ( -0.000 3.010 0.745) 3.101 7.399 ( -0.000 13.688 0.946) 13.721 8.124 ( -0.000 8.512 1.662) 8.673 8.966 ( -0.000 2.653 0.109) 2.655 10.750 ( 0.000 -32.100 9.716) 33.538 13.815 ( -0.000 -0.526 -11.608) 11.620 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 3.833 6.622 0.963) 7.712 3.129 ( -0.074 2.936 0.727) 3.025 3.453 ( -1.092 14.002 -10.539) 17.560 4.301 ( 10.250 21.161 -1.157) 23.542 4.512 ( 2.853 18.292 6.779) 19.715 5.569 ( -4.548 6.091 -5.468) 9.364 5.882 ( 15.298 4.807 -1.195) 16.080 7.453 ( -1.161 1.907 -0.164) 2.238 8.265 ( -3.772 21.434 2.485) 21.904 9.072 ( 8.530 5.109 0.323) 9.948 10.448 ( -1.535 -31.537 7.414) 32.433 13.708 ( -7.091 -2.432 -8.887) 11.626 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 7.418 6.385 1.073) 9.846 3.136 ( 0.215 -0.208 -1.546) 1.574 3.541 ( -1.233 12.342 -6.695) 14.095 4.691 ( 12.731 15.660 0.856) 20.200 4.778 ( 5.623 17.715 4.084) 19.030 5.531 ( -3.084 2.623 -6.379) 7.555 6.236 ( 21.653 3.188 0.808) 21.901 7.445 ( 0.010 -0.334 0.707) 0.782 8.373 ( -9.235 20.662 0.590) 22.640 9.342 ( 11.905 8.790 1.727) 14.899 10.151 ( 1.113 -26.985 3.817) 27.277 13.477 ( -12.936 -5.001 -5.897) 15.071 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 8.276 5.924 0.721) 10.203 3.138 ( 1.550 -0.531 -0.870) 1.855 3.601 ( -1.844 8.075 -3.957) 9.180 5.003 ( 7.193 12.091 5.424) 15.078 5.087 ( 11.382 12.763 -1.626) 17.178 5.476 ( -2.383 -0.080 -6.060) 6.513 6.672 ( 23.569 4.991 1.106) 24.117 7.467 ( 2.941 -0.724 2.154) 3.717 8.350 ( -14.029 15.104 -1.344) 20.658 9.413 ( -7.684 -9.999 3.755) 13.158 10.213 ( 23.539 1.976 -0.478) 23.626 13.137 ( -17.265 -8.664 -3.234) 19.586 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 0.921 0.597 -1.057) 1.524 3.265 ( 8.569 4.608 1.408) 9.830 3.607 ( -2.906 3.131 -2.041) 4.735 5.229 ( 5.537 7.931 4.629) 10.724 5.363 ( 9.588 6.725 -2.153) 11.908 5.422 ( -1.376 0.203 -4.515) 4.725 7.109 ( 17.603 9.837 -0.268) 20.167 7.551 ( 8.469 -3.488 4.199) 10.075 8.185 ( -17.727 7.894 -2.361) 19.548 9.100 ( -11.136 -14.891 1.762) 18.678 10.791 ( 28.046 18.652 -0.401) 33.684 12.699 ( -19.795 -14.450 -1.438) 24.550 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 0.934 0.332 -0.421) 1.077 3.440 ( 3.507 6.782 0.916) 7.689 3.556 ( -1.371 -3.374 -0.987) 3.774 5.309 ( -2.228 0.219 0.410) 2.276 5.462 ( 5.601 3.360 -0.699) 6.569 5.528 ( 3.827 3.288 -1.021) 5.147 7.411 ( 3.354 13.146 -0.626) 13.581 7.715 ( 11.759 -4.139 3.811) 13.035 7.903 ( -15.523 -2.521 -1.828) 15.832 8.841 ( -4.237 -8.321 0.203) 9.339 11.448 ( 16.935 30.836 0.169) 35.181 12.187 ( -13.534 -26.719 -0.780) 29.961 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 1.029 0.411 -0.128) 1.115 3.398 ( -8.966 -0.119 0.324) 8.973 3.610 ( 6.305 0.013 -0.575) 6.332 5.234 ( -6.987 0.778 1.240) 7.139 5.542 ( -1.520 -2.859 -1.946) 3.778 5.596 ( 5.019 3.750 -0.037) 6.265 7.461 ( -7.070 -8.193 -1.278) 10.897 7.526 ( -17.538 9.641 2.564) 20.177 7.963 ( 13.244 -3.471 -0.427) 13.698 8.828 ( 7.078 0.310 0.144) 7.086 11.440 ( -33.645 -0.368 0.064) 33.647 12.228 ( 31.656 0.841 -0.400) 31.669 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 0.601 0.463 -0.190) 0.782 3.213 ( -10.259 -3.524 0.684) 10.869 3.689 ( 2.114 1.468 -1.928) 3.216 5.095 ( -12.265 3.139 3.452) 13.122 5.403 ( -8.911 -5.320 -1.612) 10.503 5.711 ( 4.937 2.760 -2.502) 6.184 7.087 ( -14.934 -14.332 0.027) 20.698 7.450 ( -7.349 4.083 3.988) 9.305 8.112 ( 4.236 4.174 -3.258) 6.781 9.043 ( 13.592 3.822 1.216) 14.171 10.806 ( -28.437 -15.320 -0.309) 32.302 12.784 ( 24.538 10.981 -0.680) 26.892 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -11.172 -4.200 0.710) 11.956 3.186 ( -1.211 0.364 -0.432) 1.336 3.691 ( -3.065 2.341 -4.217) 5.714 4.908 ( -15.772 5.328 5.409) 17.504 5.143 ( -14.351 -4.945 -1.485) 15.251 5.788 ( 1.333 3.052 -4.450) 5.558 6.711 ( -10.317 -17.754 1.804) 20.613 7.378 ( -6.527 3.630 2.865) 7.999 8.172 ( -3.055 8.317 -2.979) 9.348 9.299 ( 8.800 2.618 2.280) 9.460 10.250 ( -13.189 -19.025 -0.180) 23.151 13.253 ( 18.114 10.827 -2.112) 21.209 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -11.456 -2.868 0.526) 11.821 3.128 ( -6.609 0.999 -1.735) 6.905 3.613 ( -6.969 3.543 -5.884) 9.784 4.687 ( -17.281 2.145 4.071) 17.883 4.852 ( -16.642 3.111 1.571) 17.003 5.771 ( -4.497 1.581 -4.247) 6.384 6.411 ( -7.032 -13.861 0.293) 15.545 7.318 ( -6.515 5.307 1.315) 8.505 8.170 ( -5.815 8.618 -0.390) 10.404 9.278 ( -10.014 -4.185 1.307) 10.932 10.125 ( 16.950 -14.541 2.656) 22.490 13.594 ( 11.896 8.030 -4.644) 15.085 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -0.000 4.927 -0.049) 4.927 3.136 ( -0.000 -0.462 -1.927) 1.981 3.572 ( -0.000 13.256 -8.013) 15.490 4.410 ( -0.000 19.354 -0.838) 19.372 4.704 ( 0.000 20.261 6.879) 21.397 5.688 ( 0.000 1.374 0.789) 1.584 5.724 ( -0.000 2.742 -5.496) 6.142 7.450 ( 0.000 -2.378 -0.324) 2.400 8.559 ( -0.000 26.459 1.997) 26.534 9.024 ( -0.000 3.009 -0.005) 3.009 10.184 ( 0.000 -29.117 6.104) 29.750 13.720 ( -0.000 -3.052 -6.985) 7.623 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 4.957 4.071 -0.045) 6.415 3.121 ( 0.088 -0.853 -2.273) 2.429 3.658 ( -1.179 10.244 -5.255) 11.574 4.652 ( 7.983 14.546 -0.676) 16.607 4.929 ( 0.873 19.147 5.625) 19.975 5.592 ( -4.875 -0.654 -3.632) 6.115 5.923 ( 16.493 0.150 0.440) 16.499 7.427 ( 0.247 -1.946 0.174) 1.969 8.734 ( -7.595 21.020 -0.158) 22.351 9.190 ( 13.826 6.569 0.506) 15.316 9.909 ( -2.216 -25.693 4.135) 26.118 13.603 ( -7.823 -3.573 -4.616) 9.761 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 8.740 3.219 0.177) 9.316 3.115 ( 0.516 -0.396 -1.117) 1.292 3.701 ( -2.147 6.708 -2.897) 7.615 4.933 ( 11.039 8.460 -0.246) 13.910 5.137 ( 1.712 15.384 4.319) 16.070 5.494 ( -2.998 -3.117 -3.934) 5.847 6.282 ( 24.214 0.991 1.258) 24.267 7.425 ( 1.251 -1.239 0.617) 1.866 8.734 ( -12.573 14.850 -1.929) 19.553 9.453 ( -2.314 -3.468 3.240) 5.280 9.769 ( 21.036 -8.423 -0.311) 22.662 13.358 ( -15.255 -3.808 -2.251) 15.883 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 4.990 1.718 -0.855) 5.346 3.135 ( 6.185 0.193 0.982) 6.265 3.697 ( -3.502 3.304 -1.051) 4.928 5.176 ( 10.103 3.303 0.404) 10.637 5.310 ( 2.580 8.758 2.466) 9.457 5.420 ( -0.188 -2.440 -2.388) 3.420 6.749 ( 27.607 1.800 0.464) 27.670 7.449 ( 2.631 -1.431 0.996) 3.157 8.582 ( -17.862 8.306 -2.613) 19.871 9.190 ( -12.612 -9.920 1.639) 16.129 10.320 ( 36.457 4.925 -0.332) 36.790 12.996 ( -22.374 -3.505 -0.440) 22.651 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 0.706 0.559 0.317) 0.955 3.312 ( 10.379 -0.725 -0.101) 10.405 3.641 ( -5.286 1.064 0.295) 5.400 5.291 ( 3.352 -3.520 -2.798) 5.609 5.412 ( 4.116 3.846 3.280) 6.519 5.470 ( 4.445 0.890 0.849) 4.612 7.231 ( 26.582 0.631 -0.919) 26.605 7.481 ( 2.608 -2.741 0.904) 3.890 8.279 ( -21.518 1.140 -1.757) 21.619 8.929 ( -10.779 -0.888 0.175) 10.817 11.006 ( 38.786 0.166 -0.102) 38.787 12.536 ( -28.835 0.748 0.587) 28.851 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 0.785 0.593 0.565) 1.135 3.420 ( 3.801 -7.280 -1.162) 8.294 3.579 ( -1.975 4.122 1.392) 4.778 5.290 ( 1.515 -2.219 -1.822) 3.247 5.477 ( 0.197 -2.230 1.537) 2.716 5.562 ( 5.371 0.427 2.191) 5.816 7.426 ( 0.145 -14.216 1.062) 14.257 7.635 ( 15.145 0.671 -4.643) 15.855 7.935 ( -15.877 4.233 1.534) 16.503 8.836 ( -3.541 7.617 -0.326) 8.406 11.444 ( 16.371 -30.388 -0.206) 34.518 12.205 ( -13.368 27.677 1.077) 30.755 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 0.839 0.546 0.534) 1.135 3.297 ( -5.753 -8.457 -0.286) 10.232 3.658 ( 3.543 3.558 0.007) 5.021 5.279 ( -3.615 1.917 2.003) 4.556 5.404 ( -1.575 -8.864 -1.933) 9.208 5.657 ( 3.865 1.693 1.547) 4.494 7.146 ( -11.750 -19.862 -0.647) 23.087 7.591 ( -6.048 -3.912 1.244) 7.310 8.056 ( 8.777 11.146 -2.365) 14.383 8.946 ( 5.123 10.364 0.133) 11.562 10.995 ( -19.042 -33.378 -0.090) 38.427 12.601 ( 15.798 25.924 0.561) 30.363 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -7.738 -7.995 0.298) 11.131 3.195 ( 0.319 0.675 -0.052) 0.749 3.731 ( 0.821 3.399 -1.510) 3.809 5.166 ( -9.966 -3.693 2.689) 10.963 5.287 ( -5.936 0.277 -0.435) 5.958 5.744 ( 4.439 1.548 -1.861) 5.056 6.717 ( -12.774 -21.544 0.750) 25.058 7.483 ( -4.081 -1.675 1.877) 4.794 8.264 ( 3.228 11.099 -2.831) 11.900 9.176 ( 9.671 8.231 1.116) 12.749 10.323 ( -20.777 -29.865 -0.348) 36.383 13.099 ( 15.743 18.443 -0.424) 24.252 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -8.217 -5.891 0.226) 10.113 3.195 ( -1.386 0.844 -0.753) 1.789 3.736 ( -3.824 4.220 -3.327) 6.596 4.928 ( -11.928 -5.735 0.290) 13.239 5.181 ( -12.714 9.175 3.514) 16.067 5.803 ( 0.856 0.834 -4.336) 4.498 6.344 ( -5.881 -19.290 1.321) 20.209 7.422 ( -2.990 0.080 1.480) 3.338 8.365 ( -3.432 11.254 -1.101) 11.817 9.364 ( 0.002 1.357 2.182) 2.570 9.807 ( -2.233 -22.537 -0.352) 22.650 13.480 ( 11.478 12.025 -2.128) 16.759 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -0.000 2.643 -0.379) 2.670 3.107 ( -0.000 -0.518 -1.659) 1.738 3.742 ( -0.000 7.266 -3.433) 8.036 4.710 ( -0.000 11.037 -0.603) 11.053 5.130 ( -0.000 18.341 4.653) 18.922 5.666 ( -0.000 -5.797 -1.878) 6.093 5.705 ( 0.000 -0.014 0.574) 0.574 7.409 ( 0.000 -1.387 0.223) 1.405 9.015 ( -0.000 17.850 -1.955) 17.957 9.075 ( -0.000 2.000 0.019) 2.000 9.726 ( 0.000 -19.157 3.522) 19.478 13.630 ( -0.000 -2.495 -2.734) 3.701 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 5.406 1.444 -0.261) 5.602 3.104 ( 0.285 0.191 -0.238) 0.417 3.780 ( -1.346 4.283 -1.435) 4.713 4.849 ( 6.342 5.421 -0.490) 8.357 5.300 ( -0.795 14.594 4.375) 15.257 5.498 ( -5.102 -7.420 -1.817) 9.186 5.913 ( 18.465 -1.043 0.698) 18.507 7.403 ( 0.460 -0.748 0.242) 0.910 9.020 ( -7.123 8.868 -2.952) 11.751 9.310 ( 17.335 3.987 -0.574) 17.797 9.535 ( -5.043 -12.700 2.183) 13.837 13.536 ( -8.351 -0.995 -0.669) 8.437 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 9.062 -0.109 -0.306) 9.068 3.117 ( 0.453 0.649 0.945) 1.232 3.772 ( -2.611 1.403 0.300) 2.980 5.016 ( 9.801 0.065 -0.366) 9.808 5.347 ( -1.861 -8.640 -2.117) 9.088 5.424 ( -0.182 9.056 5.096) 10.393 6.289 ( 25.550 -0.702 0.068) 25.559 7.412 ( 1.162 -0.364 0.127) 1.224 8.893 ( -13.185 1.109 -3.747) 13.752 9.328 ( -9.972 -2.490 0.578) 10.295 9.750 ( 30.958 0.573 -0.158) 30.964 13.324 ( -16.416 1.127 0.988) 16.484 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 10.182 -2.206 -0.802) 10.449 3.135 ( 0.548 0.499 1.488) 1.663 3.722 ( -3.734 -0.860 1.598) 4.152 5.141 ( 6.715 -6.537 -2.808) 9.782 5.290 ( 6.979 -6.703 0.171) 9.678 5.504 ( -0.998 5.190 6.209) 8.153 6.737 ( 27.804 -2.720 -0.811) 27.948 7.435 ( 1.831 -0.179 -0.522) 1.913 8.583 ( -17.436 -6.807 -2.655) 18.905 9.162 ( -11.909 7.027 -1.206) 13.880 10.326 ( 36.320 -4.280 0.259) 36.572 13.019 ( -22.694 5.328 1.895) 23.388 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 0.522 0.317 1.414) 1.540 3.236 ( 8.348 -5.901 -1.539) 10.338 3.652 ( -3.280 -1.044 2.652) 4.345 5.141 ( 6.311 -9.046 -4.609) 11.954 5.393 ( 8.458 -7.363 1.503) 11.314 5.538 ( -0.891 3.407 7.259) 8.068 7.110 ( 19.625 -9.899 -0.216) 21.981 7.473 ( 4.301 0.413 -4.006) 5.892 8.209 ( -15.851 -6.088 0.138) 16.980 9.064 ( -10.004 12.854 -1.928) 16.402 10.800 ( 27.771 -18.071 0.456) 33.136 12.734 ( -20.305 15.893 2.142) 25.875 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 0.868 -0.641 1.383) 1.754 3.239 ( 1.130 -9.238 -1.809) 9.481 3.643 ( 1.644 0.944 2.720) 3.315 5.175 ( 8.675 -7.330 -4.778) 12.321 5.365 ( -0.978 -10.254 2.362) 10.568 5.626 ( 3.304 3.332 6.214) 7.787 7.091 ( -3.979 -18.446 -0.275) 18.872 7.544 ( 4.333 -5.256 -5.583) 8.808 8.060 ( 1.018 5.679 2.146) 6.155 9.073 ( -4.414 15.076 -1.838) 15.816 10.798 ( 1.154 -32.660 0.492) 32.685 12.759 ( -1.618 25.835 1.899) 25.955 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -3.286 -10.565 -0.239) 11.067 3.193 ( 0.554 0.348 0.343) 0.738 3.717 ( 3.724 1.629 1.498) 4.332 5.185 ( -1.507 -12.038 -1.216) 12.193 5.287 ( 5.431 -2.410 -0.649) 5.977 5.715 ( 1.358 3.118 4.198) 5.403 6.725 ( -12.819 -21.303 -0.956) 24.881 7.498 ( -0.823 -4.283 -1.217) 4.528 8.252 ( 8.693 8.424 -0.313) 12.109 9.187 ( 1.472 13.138 -1.167) 13.272 10.319 ( -15.263 -33.129 0.355) 36.478 13.091 ( 8.841 22.312 1.215) 24.030 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -4.786 -8.289 -0.000) 9.571 3.207 ( 0.279 0.484 -0.000) 0.559 3.786 ( 1.375 2.382 -0.000) 2.751 4.999 ( -5.638 -9.765 0.000) 11.276 5.379 ( 2.433 4.214 -0.000) 4.866 5.766 ( 1.181 2.046 -0.000) 2.362 6.294 ( -11.896 -20.605 -0.000) 23.793 7.449 ( -1.097 -1.901 -0.000) 2.195 8.453 ( 4.683 8.111 0.000) 9.366 9.353 ( 4.960 8.591 -0.000) 9.920 9.733 ( -15.920 -27.575 -0.000) 31.840 13.436 ( 8.696 15.062 -0.000) 17.392 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -0.000 0.123 -0.300) 0.324 3.109 ( 0.000 0.905 1.067) 1.399 3.819 ( -0.000 1.647 0.318) 1.678 4.822 ( -0.000 0.336 -0.344) 0.481 5.393 ( 0.000 -4.681 2.079) 5.122 5.542 ( 0.000 3.986 1.592) 4.292 5.702 ( 0.000 -0.332 0.028) 0.333 7.395 ( 0.000 -0.193 0.053) 0.200 9.096 ( 0.000 0.002 0.108) 0.108 9.194 ( -0.000 1.265 -5.385) 5.532 9.513 ( 0.000 -2.430 1.282) 2.747 13.610 ( 0.000 1.360 1.146) 1.778 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 5.250 -1.396 -0.372) 5.445 3.126 ( 0.117 1.244 1.932) 2.301 3.813 ( -1.500 -1.081 1.965) 2.698 4.852 ( 6.228 -4.870 -0.103) 7.907 5.247 ( -1.748 -16.290 -1.203) 16.428 5.563 ( -3.398 8.093 5.184) 10.194 5.906 ( 17.990 0.522 -0.038) 17.998 7.399 ( 0.388 0.364 -0.177) 0.561 9.015 ( -7.184 -8.052 -3.864) 11.462 9.294 ( 15.481 -4.125 -2.175) 16.169 9.512 ( -2.803 9.772 0.048) 10.167 13.568 ( -8.518 3.575 2.620) 9.602 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 8.403 -3.622 -0.763) 9.183 3.145 ( 0.067 0.969 1.939) 2.169 3.761 ( -2.601 -3.674 3.265) 5.561 4.922 ( 8.743 -9.560 -1.363) 13.026 5.085 ( 3.849 -15.307 -1.076) 15.820 5.602 ( -2.068 4.270 7.389) 8.781 6.265 ( 23.818 -1.225 -0.526) 23.855 7.413 ( 0.713 0.678 -0.719) 1.219 8.717 ( -11.931 -14.609 -3.963) 19.274 9.385 ( -2.751 3.119 -3.501) 5.436 9.782 ( 22.120 6.604 0.918) 23.103 13.413 ( -15.796 6.104 3.407) 17.273 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 8.653 -6.955 -1.293) 11.177 3.160 ( 0.387 0.510 1.317) 1.464 3.682 ( -2.530 -5.150 4.364) 7.209 4.899 ( 6.485 -14.286 -5.185) 16.524 5.124 ( 12.309 -11.436 2.015) 16.921 5.617 ( -1.994 1.429 8.604) 8.947 6.656 ( 23.925 -4.367 -0.515) 24.326 7.421 ( 0.482 -0.921 -2.718) 2.910 8.345 ( -12.059 -14.252 -1.937) 18.769 9.339 ( -7.184 8.761 -3.834) 11.961 10.226 ( 23.977 -2.761 0.867) 24.151 13.203 ( -18.154 10.750 3.610) 21.405 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 5.774 -10.247 -1.364) 11.841 3.175 ( 0.807 -0.561 0.494) 1.100 3.624 ( 0.293 -4.333 5.155) 6.741 4.893 ( 10.358 -12.267 -6.047) 17.156 5.187 ( 7.702 -14.388 2.275) 16.478 5.644 ( 1.137 1.852 8.592) 8.863 6.902 ( 9.554 -11.020 0.665) 14.600 7.391 ( 2.978 -5.515 -6.782) 9.235 8.098 ( -3.392 -4.842 1.558) 6.114 9.308 ( -6.044 10.788 -3.778) 12.930 10.445 ( 9.047 -14.583 0.711) 17.176 13.097 ( -10.314 17.836 3.526) 20.903 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( 1.594 -11.752 -1.040) 11.905 3.180 ( 0.962 -1.185 0.759) 1.705 3.649 ( 4.534 -2.438 4.623) 6.919 4.961 ( 11.586 -10.738 -5.823) 16.836 5.127 ( 3.549 -14.420 1.872) 14.968 5.735 ( 2.943 2.549 7.029) 8.035 6.724 ( -9.624 -17.728 -0.967) 20.195 7.410 ( 5.253 -4.711 -4.010) 8.116 8.151 ( 8.603 2.279 1.426) 9.013 9.325 ( -2.504 9.117 -3.174) 9.973 10.247 ( -10.105 -20.439 0.482) 22.805 13.229 ( 1.034 20.265 3.104) 20.527 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 0.000 -2.602 -0.442) 2.639 3.145 ( 0.000 1.253 2.277) 2.599 3.811 ( 0.000 -3.740 3.586) 5.181 4.720 ( 0.000 -10.433 0.364) 10.439 5.070 ( 0.000 -21.407 -1.427) 21.455 5.694 ( -0.000 -0.405 -0.571) 0.700 5.746 ( 0.000 7.742 6.677) 10.223 7.403 ( -0.000 1.294 -0.397) 1.354 8.975 ( -0.000 -18.057 -6.355) 19.142 9.076 ( 0.000 -2.032 0.122) 2.036 9.670 ( -0.000 16.739 -2.037) 16.862 13.695 ( 0.000 5.189 3.966) 6.531 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 4.562 -4.437 -0.874) 6.423 3.158 ( -0.104 0.150 1.604) 1.614 3.759 ( -1.599 -6.508 4.885) 8.294 4.661 ( 7.051 -14.294 0.194) 15.940 4.853 ( 1.581 -21.356 -1.984) 21.506 5.679 ( -1.036 0.455 4.848) 4.978 5.943 ( 13.160 1.710 3.311) 13.678 7.419 ( -0.063 2.029 -0.788) 2.177 8.683 ( -6.618 -21.603 -5.776) 23.321 9.176 ( 12.410 -5.838 -0.919) 13.746 9.843 ( -0.832 22.897 -2.552) 23.054 13.693 ( -8.237 6.285 4.722) 11.386 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 6.867 -7.410 -1.625) 10.232 3.154 ( 0.315 -1.764 0.536) 1.871 3.667 ( -2.000 -8.590 6.022) 10.680 4.616 ( 6.202 -17.765 -4.719) 19.399 4.778 ( 12.083 -16.452 2.146) 20.525 5.670 ( -1.389 -2.320 7.936) 8.384 6.241 ( 20.345 -1.918 1.699) 20.506 7.417 ( -1.490 -0.464 -2.331) 2.806 8.331 ( -7.329 -19.889 -3.859) 21.545 9.305 ( 9.591 -7.154 -2.124) 12.152 10.094 ( 3.969 22.847 -2.013) 23.276 13.582 ( -13.786 7.817 5.008) 16.620 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 6.945 -10.915 -2.176) 13.119 3.142 ( 1.361 -3.863 0.092) 4.097 3.578 ( -0.263 -8.446 6.942) 10.936 4.565 ( 9.531 -14.805 -6.468) 18.758 4.856 ( 13.239 -17.099 2.836) 21.810 5.652 ( 0.519 -3.443 8.481) 9.168 6.567 ( 19.431 -5.789 2.186) 20.392 7.309 ( -3.564 -9.543 -6.060) 11.853 8.085 ( -3.006 -8.446 -0.130) 8.966 9.347 ( 4.173 -5.560 -2.844) 7.511 10.344 ( 1.505 14.826 -1.761) 15.006 13.453 ( -12.521 11.235 5.199) 17.608 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 5.601 -12.564 -1.793) 13.872 3.125 ( 2.381 -5.896 0.884) 6.420 3.554 ( 3.500 -5.995 6.810) 9.724 4.609 ( 13.012 -11.925 -7.214) 19.067 4.871 ( 8.317 -18.539 2.375) 20.458 5.694 ( 4.596 -2.051 7.200) 8.784 6.664 ( -0.208 -14.899 1.668) 14.994 7.210 ( 8.356 -7.450 -5.520) 12.482 8.053 ( 3.208 -0.367 0.871) 3.344 9.334 ( 2.268 -6.383 -2.463) 7.208 10.362 ( -11.643 7.177 -2.241) 13.859 13.451 ( -4.524 14.965 5.276) 16.500 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 0.000 -5.615 -1.336) 5.771 3.151 ( 0.000 -2.731 -0.059) 2.731 3.714 ( 0.000 -8.988 5.742) 10.666 4.434 ( 0.000 -18.551 1.621) 18.621 4.611 ( 0.000 -22.261 -2.236) 22.373 5.673 ( -0.000 -1.423 -0.836) 1.650 5.874 ( 0.000 -1.103 10.388) 10.446 7.444 ( -0.000 2.632 -1.092) 2.850 8.478 ( 0.000 -25.832 -6.435) 26.622 9.024 ( 0.000 -3.107 0.007) 3.107 10.086 ( -0.000 26.139 -4.024) 26.447 13.841 ( 0.000 6.143 5.533) 8.268 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 3.383 -8.055 -2.255) 9.023 3.102 ( 0.696 -7.446 -1.892) 7.714 3.619 ( -1.363 -11.020 5.869) 12.559 4.310 ( 6.574 -20.105 -0.213) 21.153 4.446 ( 5.819 -18.163 0.614) 19.082 5.660 ( 0.250 -4.478 3.350) 5.598 5.954 ( 10.770 -5.538 7.168) 14.073 7.429 ( -2.053 -3.800 -3.065) 5.296 8.204 ( -2.542 -18.128 -3.690) 18.673 9.065 ( 7.833 -4.935 -0.402) 9.266 10.334 ( -0.680 28.147 -4.475) 28.509 13.851 ( -7.551 5.959 5.921) 11.295 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 5.126 -11.942 -3.099) 13.361 3.032 ( 2.953 -11.398 -1.805) 11.912 3.508 ( -0.199 -11.176 5.865) 12.623 4.248 ( 8.354 -16.028 -3.881) 18.486 4.455 ( 12.936 -17.026 3.524) 21.671 5.607 ( 0.290 -8.527 6.823) 10.925 6.171 ( 19.285 -8.223 4.092) 21.360 7.241 ( -4.846 -17.538 -6.542) 19.336 8.069 ( -1.917 -0.975 0.517) 2.212 9.145 ( 8.013 -7.314 -0.982) 10.894 10.575 ( -2.352 26.726 -4.536) 27.210 13.763 ( -11.027 6.721 6.337) 14.385 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 7.011 -14.316 -2.709) 16.170 2.970 ( 4.785 -14.096 0.651) 14.900 3.450 ( 3.172 -8.437 5.315) 10.464 4.262 ( 11.172 -12.547 -5.683) 17.735 4.514 ( 11.856 -17.777 2.761) 21.545 5.585 ( 4.940 -7.705 6.553) 11.257 6.392 ( 14.917 -16.051 3.940) 22.264 6.989 ( 2.006 -15.597 -6.800) 17.133 8.072 ( -2.267 5.941 1.097) 6.452 9.173 ( 4.999 -9.023 -1.127) 10.377 10.700 ( -10.440 21.401 -5.067) 24.344 13.694 ( -7.449 9.197 7.074) 13.788 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -0.000 -9.609 -3.436) 10.205 2.969 ( -0.000 -15.552 -4.608) 16.220 3.524 ( 0.000 -13.498 2.944) 13.816 4.037 ( 0.000 -22.561 3.610) 22.848 4.250 ( 0.000 -12.311 1.893) 12.456 5.625 ( 0.000 -2.863 -0.778) 2.967 5.784 ( 0.000 -15.850 11.309) 19.471 7.335 ( -0.000 -17.961 -5.936) 18.916 8.109 ( 0.000 -1.726 0.172) 1.735 8.963 ( 0.000 -2.781 -0.138) 2.784 10.608 ( -0.000 28.818 -5.183) 29.281 13.987 ( 0.000 4.679 6.291) 7.840 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 1.767 -13.508 -4.744) 14.426 2.802 ( 4.039 -20.432 -4.982) 21.415 3.386 ( 0.627 -15.412 1.280) 15.478 3.907 ( 8.684 -21.348 2.933) 23.232 4.202 ( 3.758 -7.003 3.910) 8.857 5.530 ( -1.980 -13.562 5.633) 14.818 5.787 ( 14.126 -13.638 4.284) 20.097 7.061 ( -2.208 -26.502 -7.327) 27.585 8.159 ( -1.723 11.268 2.971) 11.780 8.980 ( 4.536 -3.378 -0.335) 5.666 10.865 ( -1.192 28.090 -5.114) 28.577 13.988 ( -6.542 3.957 6.562) 10.075 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 5.183 -17.659 -4.595) 18.969 2.688 ( 7.492 -21.309 -1.524) 22.639 3.283 ( 4.869 -14.074 0.460) 14.899 3.905 ( 12.522 -18.544 0.493) 22.381 4.236 ( 5.741 -5.963 3.045) 8.820 5.406 ( 4.863 -17.154 6.580) 19.005 5.939 ( 17.432 -16.666 2.244) 24.221 6.764 ( 0.526 -22.319 -6.423) 23.230 8.245 ( -4.856 14.307 2.908) 15.386 9.018 ( 4.306 -4.950 -0.568) 6.585 11.061 ( -6.091 25.197 -5.545) 26.510 13.917 ( -7.819 4.523 7.558) 11.778 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -0.000 -15.872 -6.452) 17.133 2.497 ( -0.000 -26.942 -8.054) 28.120 3.201 ( 0.000 -19.818 -1.192) 19.854 3.627 ( 0.000 -21.042 5.863) 21.843 4.158 ( 0.000 -0.702 5.240) 5.287 5.365 ( 0.000 -32.805 8.842) 33.976 5.553 ( 0.000 -3.963 -0.584) 4.006 6.780 ( 0.000 -28.369 -6.601) 29.126 8.337 ( -0.000 17.695 4.475) 18.252 8.920 ( 0.000 -1.389 -0.172) 1.400 11.131 ( -0.000 26.684 -4.085) 26.995 14.096 ( 0.000 2.469 6.072) 6.555 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.450 -21.848 -7.392) 23.069 2.294 ( 9.385 -26.101 -6.091) 28.398 3.021 ( 4.417 -21.436 -1.689) 21.951 3.531 ( 8.850 -18.516 4.961) 21.113 4.187 ( 0.593 1.504 4.085) 4.393 5.079 ( 5.497 -35.173 6.654) 36.217 5.589 ( 8.681 -7.240 -0.238) 11.307 6.498 ( 0.978 -24.735 -4.946) 25.244 8.503 ( -3.922 18.890 4.321) 19.771 8.931 ( 2.208 -1.381 -0.273) 2.619 11.360 ( -1.989 24.372 -3.126) 24.652 14.084 ( -5.236 1.786 6.083) 8.222 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -0.000 -23.459 -8.356) 24.903 1.863 ( -0.000 -30.696 -10.145) 32.329 2.727 ( 0.000 -28.090 -0.760) 28.100 3.306 ( 0.000 -15.166 6.388) 16.456 4.227 ( 0.000 4.081 2.985) 5.057 4.650 ( 0.000 -41.531 4.874) 41.816 5.467 ( 0.000 -4.289 -0.374) 4.306 6.232 ( 0.000 -24.022 -3.090) 24.220 8.747 ( -0.000 19.754 4.373) 20.233 8.908 ( -0.000 0.196 -0.053) 0.204 11.598 ( -0.000 21.511 1.162) 21.543 14.156 ( 0.000 0.682 3.395) 3.463 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.000 -0.000 29.854) 29.854 0.554 ( 0.000 -0.000 29.854) 29.854 0.998 ( 0.000 -0.000 53.840) 53.840 2.872 ( -0.000 0.000 -6.709) 6.709 2.872 ( -0.000 0.000 -6.709) 6.709 5.297 ( -0.000 0.000 -12.724) 12.724 5.311 ( 0.000 -0.000 0.515) 0.515 5.311 ( 0.000 -0.000 0.515) 0.515 8.962 ( 0.000 -0.000 0.761) 0.761 8.962 ( 0.000 -0.000 0.761) 0.761 9.483 ( 0.000 -0.000 0.929) 0.929 14.753 ( 0.000 -0.000 0.458) 0.458 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 16.407 9.473 19.537) 27.214 0.930 ( 12.861 7.425 27.994) 31.689 1.585 ( 33.026 19.068 33.595) 50.822 2.931 ( 5.606 3.237 -5.991) 8.820 3.129 ( 20.185 11.654 -15.478) 27.979 4.621 ( -21.027 -12.140 3.248) 24.497 5.333 ( 1.747 1.009 0.521) 2.084 5.534 ( 11.846 6.839 4.034) 14.262 8.957 ( -0.732 -0.422 0.903) 1.236 9.250 ( -5.472 -3.159 -11.480) 13.104 10.903 ( 77.006 44.459 -55.871) 105.015 14.362 ( -25.411 -14.671 7.787) 30.357 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 20.327 11.736 10.991) 25.918 1.324 ( 15.892 9.175 18.459) 26.029 2.397 ( 28.145 16.250 19.139) 37.716 3.094 ( 10.200 5.889 -4.855) 12.739 3.677 ( 32.243 18.616 -13.866) 39.729 4.326 ( -6.930 -4.001 -3.350) 8.675 5.390 ( 2.987 1.725 0.415) 3.474 5.882 ( 16.853 9.730 4.872) 20.061 8.938 ( -1.065 -0.615 0.825) 1.482 9.013 ( -11.809 -6.818 -8.789) 16.223 11.867 ( 22.318 12.885 -14.786) 29.711 13.863 ( -15.983 -9.228 -10.059) 21.019 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 18.114 10.458 6.219) 21.822 1.765 ( 19.172 11.069 8.236) 23.620 2.950 ( 17.247 9.957 8.684) 21.726 3.367 ( 14.831 8.563 -3.448) 17.469 4.197 ( 3.093 1.786 -5.439) 6.507 4.514 ( 35.846 20.695 -9.024) 42.363 5.467 ( 3.569 2.061 0.363) 4.137 6.306 ( 18.653 10.769 5.253) 22.169 8.688 ( -13.989 -8.076 -6.403) 17.375 8.920 ( -0.502 -0.290 0.574) 0.816 11.942 ( -13.771 -7.951 15.754) 22.384 13.639 ( 0.927 0.535 -26.305) 26.327 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 13.871 8.009 3.138) 16.322 2.236 ( 20.559 11.870 1.478) 23.785 3.256 ( 8.904 5.140 0.529) 10.295 3.733 ( 17.628 10.178 -2.336) 20.489 4.305 ( 8.549 4.936 0.396) 9.880 5.294 ( 32.121 18.545 -10.315) 38.498 5.550 ( 3.504 2.023 0.519) 4.080 6.750 ( 18.635 10.759 5.111) 22.116 8.372 ( -11.581 -6.686 -3.286) 13.771 8.924 ( 0.841 0.485 0.295) 1.015 11.478 ( -28.500 -16.455 16.506) 36.816 13.660 ( 5.295 3.057 -20.795) 21.675 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 9.866 5.696 1.411) 11.479 2.687 ( 18.373 10.608 -1.756) 21.288 3.399 ( 5.338 3.082 -3.484) 7.080 4.126 ( 16.846 9.726 -1.802) 19.536 4.575 ( 13.933 8.044 3.529) 16.471 5.625 ( 2.833 1.636 0.794) 3.366 5.841 ( 18.026 10.407 -11.210) 23.642 7.152 ( 14.138 8.163 3.815) 16.765 8.200 ( -1.683 -0.972 0.933) 2.156 8.962 ( 2.318 1.338 0.108) 2.679 10.834 ( -30.466 -17.590 10.467) 36.703 13.705 ( 2.812 1.623 -12.344) 12.763 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 6.478 3.740 0.654) 7.508 3.019 ( 10.555 6.094 -2.566) 12.455 3.530 ( 7.850 4.532 -3.786) 9.823 4.465 ( 12.991 7.500 -1.287) 15.056 4.934 ( 16.352 9.441 3.176) 19.147 5.679 ( 1.676 0.968 0.882) 2.126 6.041 ( 2.979 1.720 -10.669) 11.210 7.365 ( 4.226 2.440 1.765) 5.189 8.330 ( 10.802 6.237 5.047) 13.456 9.024 ( 2.939 1.697 -0.006) 3.394 10.204 ( -26.025 -15.025 5.581) 30.565 13.712 ( 0.629 0.363 -6.935) 6.973 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 3.329 1.922 0.452) 3.871 3.160 ( 3.539 2.043 -2.292) 4.685 3.715 ( 7.981 4.608 -2.327) 9.505 4.697 ( 7.355 4.246 -0.341) 8.500 5.325 ( 17.123 9.886 1.105) 19.803 5.705 ( 0.392 0.226 0.554) 0.715 5.944 ( -8.160 -4.711 -8.615) 12.767 7.413 ( 0.581 0.335 0.347) 0.755 8.601 ( 9.145 5.280 7.262) 12.816 9.083 ( 2.044 1.180 -0.125) 2.364 9.730 ( -15.694 -9.061 2.396) 18.279 13.704 ( 0.420 0.242 -3.918) 3.948 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 0.199 0.115 0.582) 0.626 3.202 ( 1.040 0.601 -1.523) 1.940 3.836 ( 2.608 1.506 -0.083) 3.013 4.789 ( 0.506 0.292 0.601) 0.838 5.592 ( -10.072 -5.815 -2.838) 11.971 5.703 ( -0.498 -0.287 -0.016) 0.575 5.752 ( 9.838 5.680 -5.581) 12.657 7.410 ( -0.581 -0.335 -0.578) 0.886 8.729 ( -0.694 -0.401 8.597) 8.634 9.107 ( 0.001 0.000 -0.207) 0.207 9.537 ( -1.357 -0.784 0.385) 1.614 13.721 ( 2.056 1.187 -1.983) 3.094 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -2.959 -1.708 0.993) 3.558 3.201 ( -1.131 -0.653 -0.341) 1.350 3.829 ( -3.422 -1.975 2.694) 4.782 4.716 ( -7.078 -4.086 0.506) 8.188 5.175 ( -20.149 -11.633 -5.657) 23.944 5.686 ( -0.922 -0.532 -0.249) 1.094 6.033 ( 10.979 6.339 -5.309) 13.745 7.392 ( -0.698 -0.403 -0.160) 0.822 8.612 ( -11.664 -6.734 8.429) 15.888 9.083 ( -2.001 -1.155 -0.154) 2.316 9.666 ( 12.245 7.070 -1.003) 14.175 13.790 ( 4.229 2.441 -0.181) 4.886 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -6.235 -3.600 1.764) 7.412 3.124 ( -6.701 -3.869 1.987) 7.988 3.711 ( -7.658 -4.421 4.705) 10.016 4.474 ( -13.857 -8.000 -0.932) 16.028 4.704 ( -18.359 -10.599 -7.342) 22.434 5.659 ( -1.522 -0.879 0.028) 1.758 6.153 ( 0.124 0.071 -6.924) 6.925 7.380 ( -1.592 -0.919 2.911) 3.443 8.297 ( -15.360 -8.868 4.532) 18.307 9.024 ( -2.898 -1.673 -0.003) 3.347 10.052 ( 21.072 12.166 -1.510) 24.378 13.904 ( 5.340 3.083 1.447) 6.333 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -10.005 -5.776 3.100) 11.961 2.873 ( -16.696 -9.639 5.925) 20.168 3.513 ( -11.129 -6.425 2.720) 13.135 4.101 ( -17.860 -10.312 -2.978) 20.837 4.345 ( -10.266 -5.927 -7.251) 13.896 5.614 ( -2.490 -1.438 0.352) 2.897 5.965 ( -14.977 -8.647 -7.034) 18.670 7.204 ( -17.520 -10.115 7.164) 21.461 8.130 ( 3.529 2.037 -1.985) 4.532 8.961 ( -2.460 -1.420 0.088) 2.842 10.573 ( 24.283 14.020 -1.476) 28.079 14.028 ( 4.773 2.756 2.057) 5.883 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -14.871 -8.586 5.268) 17.962 2.421 ( -24.147 -13.941 8.463) 29.138 3.196 ( -17.214 -9.939 -0.302) 19.879 3.677 ( -17.509 -10.109 -4.945) 20.814 4.204 ( -1.135 -0.655 -4.710) 4.889 5.433 ( -29.499 -17.031 -5.601) 34.520 5.548 ( -3.385 -1.954 0.442) 3.934 6.724 ( -23.354 -13.484 5.155) 27.455 8.374 ( 15.737 9.086 -3.413) 18.490 8.919 ( -1.189 -0.687 0.063) 1.375 11.116 ( 23.229 13.411 -0.860) 26.837 14.121 ( 2.891 1.669 0.604) 3.392 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.000 23.996 20.604) 31.628 1.039 ( 0.000 21.913 23.606) 32.209 1.611 ( 0.000 27.244 39.175) 47.717 2.831 ( -0.000 2.836 -10.022) 10.416 3.143 ( -0.000 24.942 -12.616) 27.951 4.641 ( 0.000 -24.951 0.134) 24.951 5.335 ( -0.000 2.073 0.557) 2.146 5.516 ( -0.000 12.871 3.194) 13.261 8.953 ( 0.000 -1.133 0.786) 1.379 9.208 ( -0.000 -5.998 -12.408) 13.782 10.718 ( -0.000 83.478 -43.578) 94.168 14.423 ( 0.000 -24.485 5.091) 25.009 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 2.816 24.983 17.220) 30.474 1.356 ( 5.484 19.264 20.558) 28.702 2.222 ( 21.384 24.449 24.737) 40.828 2.942 ( 10.476 5.100 -9.199) 14.845 3.486 ( 13.371 30.605 -13.317) 35.955 4.364 ( -6.362 -11.188 -4.278) 13.563 5.385 ( 1.966 3.724 0.493) 4.240 5.769 ( 10.430 14.657 4.094) 18.449 8.942 ( -0.285 -1.405 0.657) 1.577 9.043 ( -5.231 -10.741 -10.008) 15.586 11.542 ( 26.560 34.367 -24.479) 49.857 14.040 ( -16.787 -16.171 -3.349) 23.548 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 8.425 16.915 16.065) 24.803 1.748 ( 9.041 23.244 8.129) 26.232 2.804 ( 16.661 14.153 12.283) 25.076 3.210 ( 14.187 10.682 -5.742) 18.665 4.070 ( 17.672 19.614 -12.711) 29.302 4.262 ( 8.975 8.414 -4.814) 13.211 5.473 ( 2.201 6.526 0.488) 6.905 6.146 ( 14.906 13.867 4.970) 20.956 8.763 ( -9.187 -12.567 -7.853) 17.436 8.936 ( -0.639 0.094 0.612) 0.890 11.971 ( 6.586 -2.827 7.073) 10.069 13.649 ( -10.927 -1.572 -21.074) 23.791 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 11.261 14.255 8.723) 20.152 2.145 ( 10.373 20.503 3.135) 23.191 3.154 ( 10.088 6.834 2.448) 12.428 3.583 ( 15.070 15.978 -3.432) 22.230 4.202 ( 7.112 2.263 -2.957) 8.027 4.911 ( 29.623 22.594 -9.870) 38.541 5.596 ( 1.883 11.776 0.444) 11.934 6.564 ( 17.034 11.821 5.462) 21.441 8.454 ( -9.754 -11.393 -5.287) 15.903 8.942 ( -0.267 2.461 0.495) 2.524 11.765 ( -18.453 -20.337 18.322) 33.012 13.545 ( 2.612 5.006 -24.418) 25.063 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 8.135 11.727 3.976) 14.816 2.541 ( 13.429 17.054 0.142) 21.707 3.323 ( 5.675 2.618 -3.155) 7.001 3.995 ( 14.102 17.728 -2.522) 22.793 4.422 ( 13.043 6.343 1.953) 14.634 5.443 ( 17.656 4.542 -7.568) 19.740 5.808 ( 4.674 21.551 -3.032) 22.260 6.980 ( 16.881 9.121 5.268) 19.898 8.217 ( -4.678 -6.878 -1.849) 8.522 8.983 ( 0.314 5.728 0.379) 5.749 11.185 ( -28.047 -21.752 12.826) 37.740 13.594 ( 5.287 0.753 -15.361) 16.263 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 4.684 9.736 1.777) 10.949 2.903 ( 11.387 11.270 -1.451) 16.087 3.431 ( 6.617 2.772 -4.162) 8.294 4.374 ( 10.943 16.067 -1.821) 19.525 4.751 ( 15.748 7.925 2.957) 17.876 5.630 ( 6.453 0.498 -3.626) 7.418 6.050 ( 0.982 15.408 -7.231) 17.049 7.296 ( 9.079 4.495 3.380) 10.680 8.207 ( 8.007 0.257 2.701) 8.454 9.066 ( 0.248 9.591 0.425) 9.604 10.523 ( -28.205 -18.940 7.042) 34.696 13.624 ( 4.232 -3.849 -8.520) 10.262 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 1.719 7.847 0.884) 8.081 3.109 ( 4.898 4.182 -2.253) 6.823 3.600 ( 9.460 4.513 -2.770) 10.841 4.660 ( 6.346 12.440 -0.855) 13.991 5.117 ( 16.829 7.647 1.738) 18.567 5.692 ( 2.195 -0.318 -3.772) 4.375 6.081 ( -8.295 9.187 -5.856) 13.693 7.408 ( 1.451 1.498 1.031) 2.326 8.448 ( 14.097 1.554 6.388) 15.555 9.175 ( -1.434 13.651 0.620) 13.740 9.937 ( -21.733 -14.493 3.121) 26.308 13.619 ( 3.974 -6.411 -4.848) 8.967 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -1.208 5.890 0.618) 6.044 3.179 ( 1.929 1.159 -2.077) 3.063 3.773 ( 6.474 2.211 -1.042) 6.920 4.822 ( 0.659 8.126 0.248) 8.156 5.445 ( 12.254 0.587 0.433) 12.276 5.678 ( 0.989 -1.414 -7.263) 7.465 5.965 ( -13.734 11.920 -1.608) 18.256 7.420 ( -0.721 0.529 -0.374) 0.969 8.666 ( 8.112 -3.139 8.471) 12.141 9.273 ( -6.258 17.461 0.481) 18.555 9.557 ( -8.053 -9.834 0.926) 12.744 13.619 ( 5.503 -6.820 -2.966) 9.251 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -4.145 3.762 0.733) 5.646 3.200 ( 0.511 0.062 -1.311) 1.408 3.841 ( 0.874 -1.203 0.896) 1.736 4.835 ( -6.446 3.717 0.617) 7.467 5.319 ( -12.663 -13.053 -4.029) 18.628 5.767 ( 0.834 3.913 -3.245) 5.151 5.957 ( 0.778 15.069 -2.890) 15.363 7.403 ( -1.145 -0.064 -0.585) 1.287 8.685 ( -2.725 -8.778 9.632) 13.314 9.255 ( -11.360 11.142 -0.093) 15.912 9.534 ( 8.216 2.813 -0.305) 8.690 13.665 ( 8.082 -5.627 -1.587) 9.976 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -7.050 1.359 1.204) 7.280 3.180 ( -2.488 -1.282 0.091) 2.801 3.790 ( -4.503 -3.593 2.870) 6.436 4.671 ( -14.305 -1.432 -0.610) 14.389 4.903 ( -18.666 -10.300 -4.821) 21.858 5.748 ( -5.351 4.870 -0.596) 7.260 6.124 ( 3.361 7.702 -7.117) 11.012 7.387 ( -0.247 -0.593 1.144) 1.312 8.463 ( -12.946 -12.549 7.799) 19.644 9.159 ( -9.813 6.619 0.169) 11.838 9.825 ( 17.459 10.525 -0.933) 20.408 13.771 ( 9.885 -4.006 -0.339) 10.672 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -10.069 -1.557 2.189) 10.421 3.059 ( -10.318 -3.881 2.906) 11.400 3.641 ( -9.040 -5.029 2.829) 10.725 4.333 ( -18.453 -6.107 -2.814) 19.640 4.506 ( -17.419 -3.817 -4.981) 18.515 5.689 ( -5.605 1.909 -0.308) 5.929 6.113 ( -8.699 2.503 -8.366) 12.325 7.343 ( -6.190 -6.547 5.674) 10.648 8.150 ( -8.411 -6.831 1.732) 10.973 9.059 ( -7.838 3.862 0.236) 8.741 10.295 ( 23.161 13.027 -0.292) 26.575 13.907 ( 9.657 -2.972 0.046) 10.104 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -13.848 -5.536 4.081) 15.462 2.752 ( -21.135 -5.834 5.738) 22.663 3.389 ( -14.513 -6.815 0.397) 16.038 3.937 ( -21.233 -3.959 -3.443) 21.871 4.243 ( -7.566 -0.794 -4.852) 9.023 5.566 ( -8.760 -5.996 -2.378) 10.878 5.834 ( -21.760 2.552 -5.483) 22.585 6.993 ( -21.356 -14.802 7.186) 26.960 8.186 ( 11.815 4.433 -2.882) 12.944 8.977 ( -5.111 2.117 0.246) 5.538 10.836 ( 24.483 12.550 1.188) 27.538 14.026 ( 7.473 -2.848 -1.568) 8.149 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.000 24.047 16.545) 29.189 1.619 ( 0.000 22.639 18.440) 29.199 2.371 ( 0.000 27.569 23.160) 36.006 2.875 ( -0.000 8.986 -11.674) 14.732 3.676 ( -0.000 36.427 -12.599) 38.544 4.282 ( -0.000 -11.159 -6.025) 12.682 5.396 ( -0.000 3.654 0.491) 3.687 5.875 ( -0.000 20.685 4.031) 21.074 8.929 ( -0.000 -14.151 -9.886) 17.262 8.932 ( 0.000 -1.294 0.725) 1.483 11.596 ( -0.000 27.888 -12.914) 30.733 14.008 ( -0.000 -15.002 -8.675) 17.330 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -0.518 19.658 17.316) 26.202 1.926 ( 3.327 25.284 9.740) 27.298 2.773 ( 9.358 18.550 13.652) 24.861 3.066 ( 12.570 13.916 -8.353) 20.529 4.034 ( 5.068 17.088 -15.069) 23.340 4.236 ( 5.276 16.068 -3.878) 17.350 5.479 ( 4.269 5.394 0.512) 6.898 6.153 ( 5.721 21.221 4.689) 22.473 8.713 ( -4.316 -15.642 -8.160) 18.163 8.933 ( 0.895 -0.517 0.581) 1.186 11.830 ( 7.809 0.076 5.418) 9.504 13.764 ( -10.049 -3.737 -18.636) 21.500 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 3.659 17.067 12.051) 21.211 2.259 ( 4.522 23.790 4.096) 24.560 3.083 ( 7.816 9.409 2.902) 12.571 3.476 ( 16.688 18.961 -3.694) 25.527 4.098 ( 5.395 1.781 -5.949) 8.226 4.733 ( 17.142 29.689 -8.936) 35.427 5.653 ( 6.588 11.403 0.542) 13.181 6.491 ( 8.965 18.186 5.258) 20.946 8.445 ( -6.313 -14.611 -5.960) 16.996 8.961 ( 1.388 2.191 0.542) 2.650 11.794 ( -4.163 -22.198 16.742) 28.114 13.561 ( -6.240 5.834 -23.492) 24.997 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 6.293 14.323 7.310) 17.268 2.574 ( 5.752 21.176 0.574) 21.951 3.247 ( 4.983 3.174 -3.545) 6.890 3.945 ( 14.940 21.978 -2.825) 26.725 4.279 ( 11.237 6.682 0.871) 13.103 5.208 ( 15.238 13.395 -9.177) 22.268 5.937 ( 7.104 21.193 -0.981) 22.374 6.840 ( 11.842 13.128 5.651) 18.561 8.204 ( -4.729 -10.522 -3.394) 12.025 9.033 ( 1.951 6.591 0.609) 6.900 11.390 ( -18.037 -26.985 13.992) 35.345 13.502 ( 0.197 2.787 -17.160) 17.386 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 4.541 12.585 3.882) 13.931 2.871 ( 7.026 15.674 -0.526) 17.185 3.335 ( 5.416 1.861 -5.343) 7.833 4.376 ( 10.773 21.533 -2.142) 24.173 4.584 ( 14.079 8.680 3.099) 16.827 5.470 ( 10.182 3.054 -7.733) 13.145 6.229 ( 0.686 22.030 -3.394) 22.301 7.176 ( 12.213 7.882 5.351) 15.490 8.096 ( 2.669 -4.392 -0.400) 5.155 9.161 ( 2.125 11.709 0.996) 11.942 10.802 ( -24.407 -22.795 7.801) 34.295 13.481 ( 2.734 -4.783 -9.739) 11.189 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 1.326 11.459 1.763) 11.670 3.077 ( 3.963 6.632 -1.409) 7.853 3.474 ( 9.016 4.357 -3.596) 10.640 4.710 ( 5.761 18.282 -1.302) 19.213 4.930 ( 14.974 8.611 2.491) 17.452 5.593 ( 5.919 -1.008 -7.329) 9.474 6.353 ( -7.706 18.374 -2.995) 20.148 7.392 ( 4.297 3.981 2.680) 6.442 8.222 ( 13.382 -1.209 3.612) 13.914 9.329 ( 1.228 14.210 1.904) 14.390 10.208 ( -24.328 -13.919 2.781) 28.166 13.439 ( 4.265 -10.748 -5.310) 12.724 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -1.804 9.948 0.797) 10.142 3.153 ( 1.772 1.855 -1.971) 3.235 3.664 ( 8.495 2.942 -1.459) 9.107 4.922 ( 0.700 13.887 -0.358) 13.910 5.258 ( 13.219 5.435 1.302) 14.352 5.613 ( 1.900 -2.723 -7.921) 8.589 6.343 ( -12.996 18.348 -0.969) 22.505 7.446 ( -0.902 2.155 0.051) 2.337 8.464 ( 13.739 -4.080 6.905) 15.909 9.440 ( -0.330 -0.011 2.891) 2.909 9.791 ( -19.450 10.464 -0.756) 22.099 13.396 ( 6.912 -13.763 -3.267) 15.744 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -4.883 7.901 0.528) 9.303 3.182 ( 1.122 0.448 -1.714) 2.097 3.786 ( 4.462 -0.528 -0.135) 4.495 5.000 ( -5.037 9.047 0.155) 10.356 5.353 ( -4.259 -6.842 -1.494) 8.197 5.665 ( 8.534 3.529 -6.377) 11.223 6.293 ( -14.063 20.100 -0.071) 24.531 7.430 ( -2.058 0.850 -0.908) 2.405 8.600 ( 5.813 -8.921 9.073) 13.989 9.351 ( 1.444 -10.645 -0.248) 10.745 9.738 ( -14.384 28.083 0.332) 31.554 13.401 ( 10.812 -13.495 -2.279) 17.441 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -7.874 5.221 0.690) 9.473 3.190 ( 0.007 -0.251 -1.043) 1.073 3.805 ( -0.332 -2.907 0.766) 3.024 4.904 ( -12.981 0.627 -0.713) 13.015 5.104 ( -14.388 -4.061 -1.837) 15.063 5.797 ( 3.872 1.313 -4.878) 6.365 6.283 ( -9.313 19.205 -2.033) 21.440 7.398 ( -1.571 -0.417 0.054) 1.626 8.519 ( -5.402 -13.435 8.502) 16.792 9.334 ( 1.181 -1.875 0.187) 2.224 9.805 ( -4.683 22.431 -0.561) 22.921 13.489 ( 14.057 -10.803 -1.511) 17.793 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -10.706 1.920 1.278) 10.951 3.157 ( -3.699 -1.091 0.304) 3.868 3.725 ( -5.211 -4.121 0.339) 6.652 4.578 ( -18.561 -6.186 -1.142) 19.598 4.817 ( -19.049 2.764 -1.771) 19.330 5.785 ( -3.564 -0.542 -3.721) 5.181 6.307 ( -8.112 14.958 -5.212) 17.796 7.362 ( -1.903 -4.120 3.382) 5.660 8.247 ( -11.252 -12.201 4.637) 17.233 9.274 ( -9.349 3.819 1.055) 10.154 10.080 ( 14.798 14.877 -0.366) 20.987 13.644 ( 14.617 -7.673 -1.400) 16.568 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -13.761 -1.621 2.507) 14.081 3.014 ( -12.342 -2.402 2.063) 12.742 3.544 ( -10.361 -4.911 -1.996) 11.639 4.227 ( -16.742 -2.381 0.541) 16.919 4.486 ( -20.717 2.551 -3.102) 21.103 5.658 ( -7.758 -3.114 -4.147) 9.331 6.217 ( -16.744 11.689 -5.627) 21.181 7.177 ( -13.506 -13.531 7.307) 20.467 8.075 ( 1.809 -1.213 -0.774) 2.312 9.137 ( -9.966 3.084 0.750) 10.459 10.544 ( 23.104 10.843 1.976) 25.598 13.807 ( 12.278 -5.462 -3.074) 13.785 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.000 16.383 12.056) 20.341 2.158 ( 0.000 24.684 10.780) 26.935 2.933 ( 0.000 18.323 11.510) 21.639 3.074 ( -0.000 18.383 -9.167) 20.542 4.023 ( -0.000 -0.187 -12.043) 12.044 4.454 ( -0.000 37.283 -6.346) 37.819 5.480 ( -0.000 4.418 0.440) 4.440 6.363 ( -0.000 25.897 4.764) 26.332 8.562 ( -0.000 -16.984 -7.125) 18.417 8.918 ( 0.000 -0.393 0.553) 0.678 11.751 ( 0.000 -10.329 11.631) 15.556 13.768 ( -0.000 0.197 -21.204) 21.205 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -0.179 13.825 8.894) 16.440 2.451 ( 2.299 23.754 5.766) 24.551 3.111 ( 1.435 11.211 1.467) 11.398 3.392 ( 13.781 21.759 -3.906) 26.050 4.030 ( 3.291 3.833 -5.507) 7.473 4.841 ( 4.951 33.292 -8.063) 34.610 5.601 ( 8.356 6.681 0.527) 10.711 6.652 ( 1.191 26.205 4.626) 26.637 8.354 ( -2.759 -15.590 -5.111) 16.637 8.942 ( 2.465 1.223 0.434) 2.786 11.635 ( 0.172 -24.704 15.816) 29.334 13.669 ( -6.261 5.473 -21.578) 23.125 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 3.550 12.518 6.275) 14.445 2.727 ( 2.250 21.724 1.816) 21.916 3.208 ( 1.969 4.242 -5.324) 7.086 3.880 ( 17.271 23.091 -2.708) 28.962 4.193 ( 8.198 9.510 1.722) 12.674 5.167 ( 5.258 18.969 -8.424) 21.411 5.910 ( 15.328 13.296 -0.046) 20.291 6.928 ( 1.031 22.611 4.146) 23.011 8.154 ( -3.219 -10.865 -2.913) 11.700 9.035 ( 4.772 5.168 0.507) 7.053 11.347 ( -6.589 -31.327 13.740) 34.836 13.549 ( -6.601 4.514 -16.887) 18.685 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 5.572 11.703 4.514) 13.726 2.960 ( 2.089 16.626 0.444) 16.763 3.259 ( 3.419 2.861 -7.605) 8.816 4.377 ( 14.569 22.481 -2.108) 26.872 4.476 ( 11.066 11.353 4.224) 16.407 5.357 ( 5.295 7.620 -7.957) 12.224 6.316 ( 13.080 16.174 -1.396) 20.848 7.159 ( 2.982 15.554 4.385) 16.433 8.034 ( -0.977 -4.219 -1.334) 4.531 9.209 ( 5.873 10.458 1.094) 12.044 10.904 ( -13.513 -28.424 8.307) 32.550 13.424 ( -4.575 -2.337 -10.445) 11.640 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 3.889 11.199 2.601) 12.137 3.103 ( 0.887 6.937 -0.355) 7.002 3.371 ( 6.842 6.356 -5.440) 10.808 4.782 ( 8.721 19.136 0.021) 21.030 4.802 ( 12.144 11.961 2.105) 17.175 5.463 ( 5.208 0.935 -7.668) 9.316 6.604 ( 1.532 17.301 -1.969) 17.479 7.373 ( 5.434 9.032 4.708) 11.544 8.039 ( 5.372 -1.396 0.014) 5.551 9.413 ( 3.458 9.968 2.570) 10.859 10.437 ( -15.590 -14.580 2.620) 21.506 13.281 ( -1.711 -10.705 -5.610) 12.206 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 0.427 10.078 0.725) 10.113 3.153 ( 0.205 3.128 -1.002) 3.291 3.548 ( 7.954 4.120 -2.086) 9.198 5.051 ( 2.265 16.306 -0.596) 16.474 5.118 ( 11.634 8.734 2.081) 14.696 5.511 ( 4.050 -2.123 -7.416) 8.713 6.722 ( -7.608 19.723 -0.778) 21.154 7.500 ( -0.762 5.874 1.553) 6.123 8.186 ( 13.762 -4.959 3.626) 15.071 9.424 ( -4.232 -10.577 3.247) 11.846 10.227 ( -10.749 19.346 -0.832) 22.147 13.132 ( 2.891 -17.750 -3.100) 18.249 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( -2.588 8.121 -0.106) 8.524 3.175 ( -0.676 2.547 -0.967) 2.806 3.688 ( 6.287 -0.100 -0.504) 6.308 5.172 ( -3.559 10.274 -0.772) 10.900 5.329 ( 3.632 1.699 1.259) 4.203 5.551 ( 5.694 1.825 -6.634) 8.931 6.748 ( -13.202 21.950 0.544) 25.620 7.494 ( -4.118 2.969 -1.155) 5.207 8.371 ( 12.718 -9.618 6.909) 17.378 9.213 ( -1.405 -15.660 0.517) 15.732 10.313 ( -14.331 33.914 -0.047) 36.818 13.038 ( 10.103 -20.725 -2.210) 23.161 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -7.269 7.231 0.364) 10.260 3.179 ( 0.285 0.295 -1.261) 1.326 3.754 ( 3.091 -2.540 -0.212) 4.007 5.102 ( -10.267 -0.678 -0.735) 10.316 5.300 ( -8.210 4.556 0.012) 9.389 5.685 ( 7.510 1.633 -5.584) 9.499 6.715 ( -15.670 21.641 0.578) 26.725 7.438 ( -3.510 0.188 -0.929) 3.635 8.426 ( 3.675 -13.523 7.390) 15.843 9.153 ( 8.793 -8.526 -0.453) 12.257 10.329 ( -20.805 29.769 0.060) 36.319 13.077 ( 17.201 -17.232 -1.841) 24.418 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( -10.885 3.764 0.843) 11.549 3.181 ( -0.309 -0.030 -0.811) 0.868 3.740 ( -1.179 -3.369 -1.404) 3.836 4.836 ( -16.894 -3.577 1.111) 17.304 5.152 ( -15.159 5.435 -0.900) 16.129 5.761 ( 2.771 -1.036 -6.190) 6.860 6.659 ( -13.771 18.732 -1.028) 23.272 7.374 ( -2.963 -3.035 2.102) 4.733 8.285 ( -5.565 -13.185 4.265) 14.933 9.287 ( 9.607 -2.383 1.587) 10.025 10.242 ( -14.385 19.259 -0.722) 24.049 13.257 ( 19.511 -10.357 -1.912) 22.172 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -13.390 0.496 1.617) 13.497 3.142 ( -4.581 -0.612 0.037) 4.622 3.632 ( -6.319 -3.650 -4.548) 8.599 4.516 ( -17.991 -0.244 4.132) 18.462 4.878 ( -20.944 2.904 -2.068) 21.245 5.721 ( -3.619 -1.319 -6.359) 7.435 6.593 ( -13.512 14.130 -3.382) 19.842 7.252 ( -7.330 -9.125 6.257) 13.272 8.082 ( -5.217 -5.349 0.446) 7.485 9.324 ( -5.991 0.711 2.085) 6.383 10.332 ( 10.199 8.394 0.821) 13.234 13.493 ( 17.001 -4.862 -3.392) 18.005 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 0.000 9.498 4.137) 10.359 2.685 ( -0.000 23.242 5.620) 23.912 3.208 ( -0.000 6.913 -3.713) 7.847 3.479 ( -0.000 25.287 -3.382) 25.512 4.052 ( -0.000 9.295 -0.199) 9.297 5.109 ( -0.000 30.632 -7.625) 31.567 5.569 ( -0.000 4.223 0.480) 4.250 6.936 ( -0.000 28.505 3.448) 28.712 8.218 ( 0.000 -13.067 -3.051) 13.418 8.927 ( -0.000 1.175 0.296) 1.212 11.413 ( 0.000 -29.814 15.111) 33.425 13.717 ( -0.000 5.546 -19.182) 19.968 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 2.523 8.625 2.450) 9.315 2.920 ( 0.501 19.776 3.729) 20.131 3.224 ( -0.884 4.388 -9.899) 10.864 3.839 ( 12.401 24.497 -1.938) 27.525 4.213 ( 3.980 13.926 4.986) 15.318 5.317 ( -2.442 18.893 -6.888) 20.257 5.747 ( 13.880 7.644 0.175) 15.847 7.194 ( -1.795 23.868 1.556) 23.986 8.103 ( -1.625 -5.074 -0.594) 5.361 8.989 ( 4.970 3.317 0.254) 5.981 11.129 ( -1.817 -33.631 12.494) 35.923 13.661 ( -5.864 4.061 -15.067) 16.670 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 5.893 8.757 2.333) 10.810 3.088 ( 0.108 9.196 2.637) 9.567 3.249 ( 0.804 9.983 -11.154) 14.991 4.317 ( 16.167 21.765 -1.711) 27.166 4.469 ( 6.693 14.998 6.273) 17.581 5.394 ( -1.543 9.501 -6.462) 11.593 6.129 ( 19.828 8.331 0.307) 21.509 7.342 ( -2.515 13.905 0.624) 14.144 8.068 ( -3.460 6.010 0.348) 6.943 9.171 ( 9.371 8.159 0.690) 12.444 10.771 ( -4.801 -33.027 8.269) 34.383 13.511 ( -9.312 -0.167 -10.069) 13.716 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 6.973 8.752 2.109) 11.387 3.136 ( 0.770 1.251 -0.473) 1.543 3.371 ( 1.785 12.861 -6.360) 14.459 4.759 ( 8.589 13.661 6.044) 17.232 4.774 ( 13.759 18.476 -2.362) 23.157 5.422 ( -0.393 3.638 -6.347) 7.327 6.548 ( 18.343 8.466 0.394) 20.206 7.427 ( 1.059 7.316 2.231) 7.722 8.073 ( -5.725 9.643 -0.887) 11.249 9.426 ( 6.792 8.700 2.175) 11.250 10.421 ( -2.923 -22.049 3.162) 22.466 13.284 ( -10.393 -6.682 -5.679) 13.598 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 3.333 6.169 -0.006) 7.011 3.177 ( 2.727 3.386 0.624) 4.392 3.496 ( 2.665 7.309 -3.226) 8.422 5.047 ( 8.820 11.264 4.000) 14.855 5.129 ( 8.317 15.346 -1.361) 17.508 5.420 ( 1.088 -0.699 -6.069) 6.205 6.889 ( 8.794 12.615 -0.280) 15.380 7.557 ( 4.981 5.235 4.176) 8.346 8.049 ( -3.645 3.488 -1.519) 5.269 9.416 ( -7.281 -12.535 3.084) 14.820 10.425 ( 8.299 13.519 -0.524) 15.871 12.998 ( -8.662 -14.994 -2.814) 17.544 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 1.019 1.411 -1.092) 2.055 3.280 ( -0.396 8.968 0.820) 9.014 3.586 ( 4.387 0.381 -1.048) 4.526 5.274 ( 3.419 4.840 1.857) 6.210 5.323 ( 1.265 10.857 -0.257) 10.934 5.452 ( 6.005 1.411 -5.272) 8.114 7.097 ( -1.627 17.943 0.252) 18.018 7.642 ( -5.892 7.549 0.509) 9.590 8.064 ( 10.107 -9.430 2.664) 14.077 9.116 ( -6.747 -17.628 0.985) 18.900 10.787 ( 1.824 33.531 -0.212) 33.581 12.704 ( -0.855 -24.159 -1.631) 24.229 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 1.034 0.757 -0.886) 1.558 3.306 ( -6.595 7.671 0.267) 10.120 3.653 ( 5.222 -2.886 -0.405) 5.980 5.237 ( -6.430 -0.424 0.137) 6.446 5.451 ( -1.173 8.238 0.632) 8.346 5.564 ( 6.189 1.573 -4.600) 7.870 7.185 ( -11.714 20.892 1.953) 24.031 7.532 ( -8.834 1.013 -2.410) 9.213 8.175 ( 11.989 -13.496 5.074) 18.752 8.938 ( 3.824 -10.840 -0.391) 11.502 11.001 ( -18.891 33.673 0.249) 38.611 12.569 ( 16.459 -24.677 -1.498) 29.701 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 0.829 0.534 -0.780) 1.257 3.215 ( -10.276 3.405 0.670) 10.846 3.694 ( 2.528 -2.428 -1.585) 3.847 5.075 ( -12.333 -0.333 2.194) 12.531 5.415 ( -9.844 4.163 -0.714) 10.712 5.663 ( 5.608 0.426 -5.591) 7.930 7.100 ( -17.983 14.164 0.779) 22.904 7.417 ( -4.023 -1.600 1.653) 4.634 8.191 ( 3.420 -11.651 1.978) 12.303 9.037 ( 14.020 -2.870 0.859) 14.336 10.806 ( -28.815 15.152 -0.248) 32.557 12.770 ( 24.954 -9.935 -1.583) 26.906 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -12.270 -0.077 1.182) 12.327 3.180 ( -0.750 0.260 -0.494) 0.935 3.668 ( -2.584 -1.574 -4.277) 5.239 4.841 ( -16.611 2.277 4.921) 17.474 5.206 ( -16.009 -0.372 -1.771) 16.111 5.717 ( 1.508 1.497 -6.940) 7.258 6.908 ( -13.596 2.597 -0.707) 13.860 7.333 ( -6.679 -0.840 5.795) 8.883 8.110 ( -2.779 -3.952 -1.131) 4.962 9.278 ( 11.755 0.173 2.832) 12.092 10.450 ( -17.470 0.413 -0.549) 17.483 13.126 ( 21.529 -0.013 -2.668) 21.694 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -0.000 6.676 0.200) 6.679 3.090 ( 0.000 9.952 4.534) 10.936 3.256 ( -0.000 10.294 -14.363) 17.671 3.970 ( -0.000 24.582 -0.579) 24.589 4.356 ( 0.000 17.272 7.443) 18.807 5.528 ( -0.000 15.991 -5.740) 16.990 5.646 ( -0.000 3.111 0.565) 3.162 7.398 ( -0.000 12.312 -1.105) 12.361 8.141 ( -0.000 10.333 1.944) 10.515 8.966 ( -0.000 2.586 0.067) 2.587 10.843 ( 0.000 -34.377 10.296) 35.885 13.705 ( -0.000 2.364 -12.148) 12.376 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 4.319 6.219 0.031) 7.572 3.126 ( -0.120 0.038 -1.612) 1.617 3.364 ( -0.519 16.900 -8.230) 18.805 4.292 ( 10.118 21.350 -0.632) 23.635 4.578 ( 2.421 18.085 7.466) 19.715 5.525 ( -5.571 6.784 -3.958) 9.630 5.878 ( 16.089 4.779 0.237) 16.785 7.446 ( -0.796 2.209 -1.211) 2.642 8.282 ( -4.231 21.095 1.243) 21.551 9.074 ( 8.796 5.183 0.220) 10.212 10.517 ( -2.031 -33.474 7.324) 34.327 13.627 ( -6.677 -0.123 -8.534) 10.836 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 7.893 5.981 0.567) 9.919 3.119 ( 0.573 -0.465 -2.048) 2.177 3.486 ( -0.805 13.759 -5.070) 14.686 4.688 ( 13.825 16.121 -0.805) 21.253 4.827 ( 3.909 16.873 5.870) 18.287 5.482 ( -3.751 3.025 -4.118) 6.339 6.246 ( 21.832 3.475 1.439) 22.154 7.448 ( 0.659 0.006 0.086) 0.664 8.371 ( -9.694 19.930 -1.068) 22.188 9.355 ( 12.823 9.373 1.097) 15.921 10.186 ( -0.261 -28.855 3.734) 29.096 13.426 ( -12.378 -3.334 -4.982) 13.753 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 7.746 5.229 0.222) 9.349 3.133 ( 2.592 0.042 -0.270) 2.606 3.569 ( -1.489 9.136 -3.017) 9.736 5.042 ( 10.549 10.465 2.250) 15.029 5.082 ( 7.526 14.222 1.190) 16.134 5.431 ( -2.774 0.585 -3.674) 4.641 6.683 ( 23.117 4.984 1.182) 23.678 7.485 ( 4.110 -0.928 1.745) 4.560 8.331 ( -14.288 14.749 -2.729) 20.716 9.443 ( -7.808 -10.269 2.638) 13.167 10.210 ( 23.147 1.405 -0.150) 23.191 13.112 ( -16.865 -7.558 -2.238) 18.616 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 0.978 1.006 -0.561) 1.511 3.276 ( 8.608 4.158 1.020) 9.614 3.591 ( -2.698 3.890 -1.392) 4.934 5.269 ( 5.130 7.700 4.035) 10.094 5.338 ( 8.273 4.013 -3.137) 9.715 5.395 ( -0.371 4.155 -1.435) 4.411 7.106 ( 16.898 9.430 -0.350) 19.354 7.587 ( 9.974 -4.158 3.690) 11.419 8.160 ( -17.708 7.995 -3.226) 19.695 9.114 ( -11.636 -15.483 1.212) 19.406 10.788 ( 28.147 18.779 -0.290) 33.838 12.689 ( -19.754 -13.727 -0.704) 24.065 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 0.818 0.735 -0.224) 1.122 3.447 ( 3.543 6.593 0.508) 7.502 3.549 ( -1.416 -3.113 -0.542) 3.463 5.312 ( -2.127 -0.521 0.189) 2.198 5.455 ( 5.365 4.078 -0.741) 6.779 5.523 ( 3.208 4.612 -0.148) 5.620 7.406 ( 4.982 12.345 -0.329) 13.316 7.745 ( 7.662 -3.427 2.406) 8.732 7.888 ( -11.951 -3.839 -1.357) 12.626 8.843 ( -4.581 -8.455 0.106) 9.617 11.449 ( 17.333 30.847 0.096) 35.383 12.182 ( -14.067 -26.152 -0.426) 29.698 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 0.850 0.743 -0.290) 1.165 3.402 ( -8.801 -0.221 0.664) 8.829 3.602 ( 5.847 0.071 -1.036) 5.938 5.250 ( -6.182 1.258 2.118) 6.655 5.520 ( -0.166 -3.347 -2.672) 4.286 5.592 ( 1.999 5.131 -0.815) 5.567 7.449 ( -10.073 -9.205 -1.343) 13.712 7.555 ( -13.278 12.205 3.730) 18.417 7.957 ( 12.891 -6.717 -0.835) 14.560 8.830 ( 7.385 0.561 0.258) 7.410 11.441 ( -33.845 -0.689 0.124) 33.852 12.223 ( 31.418 1.564 -0.745) 31.465 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( -0.270 0.535 -0.937) 1.112 3.223 ( -9.358 -3.583 1.448) 10.125 3.668 ( 1.127 1.565 -2.570) 3.213 5.132 ( -11.592 3.664 4.496) 12.962 5.386 ( -8.613 -5.665 -2.169) 10.534 5.677 ( 3.263 3.796 -4.812) 6.944 7.088 ( -14.265 -13.576 0.237) 19.694 7.493 ( -7.284 3.060 5.257) 9.490 8.084 ( 4.379 3.243 -2.943) 6.193 9.057 ( 14.273 3.842 1.638) 14.872 10.802 ( -28.589 -15.337 -0.437) 32.446 12.774 ( 23.920 11.297 -1.390) 26.490 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -0.000 4.908 -0.798) 4.972 3.112 ( -0.000 -0.757 -3.363) 3.447 3.508 ( -0.000 14.912 -5.775) 15.991 4.406 ( -0.000 19.229 -0.215) 19.231 4.769 ( 0.000 19.300 7.145) 20.580 5.688 ( -0.000 3.492 -2.209) 4.132 5.695 ( 0.000 1.411 0.586) 1.528 7.444 ( -0.000 -1.682 -0.755) 1.844 8.566 ( -0.000 25.369 -0.407) 25.372 9.024 ( -0.000 3.004 -0.003) 3.004 10.239 ( 0.000 -30.627 5.628) 31.140 13.659 ( -0.000 -1.027 -6.143) 6.229 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 5.242 4.078 -0.526) 6.662 3.101 ( 0.342 -0.149 -2.090) 2.123 3.616 ( -0.962 11.554 -3.935) 12.243 4.647 ( 7.934 14.519 -0.526) 16.554 4.983 ( 0.664 18.163 5.914) 19.113 5.568 ( -5.816 -0.326 -1.541) 6.025 5.931 ( 17.080 0.353 1.259) 17.130 7.428 ( 0.381 -1.579 -0.030) 1.624 8.721 ( -7.699 20.049 -2.691) 21.645 9.193 ( 14.203 6.550 0.121) 15.641 9.945 ( -2.744 -26.796 3.603) 27.176 13.565 ( -7.604 -1.904 -3.425) 8.554 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 8.920 3.069 -0.183) 9.435 3.108 ( 0.772 0.341 -0.257) 0.882 3.678 ( -1.942 7.916 -2.148) 8.429 4.928 ( 11.289 8.520 -0.579) 14.155 5.180 ( 1.180 15.056 4.710) 15.819 5.469 ( -3.456 -2.693 -1.499) 4.631 6.295 ( 24.167 0.611 1.403) 24.216 7.431 ( 1.543 -1.267 0.578) 2.078 8.705 ( -12.480 14.278 -4.227) 19.429 9.477 ( -1.458 -2.752 1.861) 3.627 9.768 ( 19.936 -9.907 0.133) 22.263 13.343 ( -15.066 -2.541 -1.054) 15.315 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 5.192 1.800 -0.490) 5.517 3.145 ( 6.051 0.311 1.083) 6.155 3.689 ( -3.400 4.341 -0.634) 5.551 5.174 ( 10.381 2.483 -0.569) 10.689 5.332 ( 1.256 7.129 1.914) 7.487 5.413 ( 0.269 0.791 1.171) 1.438 6.752 ( 27.219 1.226 0.233) 27.248 7.459 ( 3.178 -2.000 1.175) 3.934 8.548 ( -17.399 8.299 -4.724) 19.847 9.204 ( -12.934 -10.562 1.265) 16.746 10.317 ( 36.516 5.057 -0.303) 36.866 12.996 ( -22.381 -2.620 0.461) 22.539 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 0.578 1.001 0.577) 1.292 3.310 ( 10.245 -1.334 -0.168) 10.333 3.644 ( -5.250 2.015 0.487) 5.644 5.265 ( 3.483 -4.627 -2.660) 6.373 5.440 ( 6.054 3.915 2.310) 7.570 5.486 ( 1.703 3.002 2.865) 4.486 7.219 ( 25.693 0.890 -1.600) 25.758 7.493 ( 3.500 -4.975 1.635) 6.299 8.255 ( -20.598 2.182 -3.306) 20.975 8.931 ( -10.934 -1.601 0.310) 11.055 11.005 ( 38.744 0.314 -0.185) 38.746 12.544 ( -29.016 1.375 1.078) 29.069 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 0.544 0.936 0.461) 1.177 3.410 ( 4.011 -7.539 -0.974) 8.595 3.591 ( -2.441 4.613 1.314) 5.382 5.271 ( 3.355 -3.542 -2.339) 5.411 5.496 ( -2.057 -1.652 2.439) 3.593 5.580 ( 4.876 2.292 1.678) 5.643 7.437 ( -1.444 -14.212 1.215) 14.336 7.593 ( 16.270 -2.067 -4.386) 16.978 7.948 ( -14.406 5.921 1.208) 15.622 8.833 ( -3.304 7.144 -0.320) 7.877 11.442 ( 16.278 -30.029 -0.175) 34.158 12.215 ( -13.745 27.935 0.983) 31.149 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 0.525 0.910 -0.000) 1.050 3.295 ( -5.151 -8.922 -0.000) 10.303 3.658 ( 2.414 4.181 -0.000) 4.827 5.289 ( 0.336 0.582 -0.000) 0.673 5.394 ( -4.539 -7.862 0.000) 9.079 5.664 ( 1.758 3.044 -0.000) 3.515 7.143 ( -11.525 -19.961 -0.000) 23.049 7.596 ( -3.241 -5.613 -0.000) 6.481 8.045 ( 6.879 11.916 0.000) 13.759 8.947 ( 5.773 10.000 -0.000) 11.547 10.995 ( -19.206 -33.266 -0.000) 38.412 12.603 ( 15.205 26.336 -0.000) 30.410 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -0.000 2.807 -0.736) 2.902 3.095 ( -0.000 0.567 -0.760) 0.948 3.715 ( -0.000 8.665 -2.520) 9.024 4.705 ( -0.000 10.978 -0.587) 10.994 5.176 ( 0.000 17.479 5.348) 18.279 5.661 ( 0.000 -5.567 0.747) 5.617 5.710 ( 0.000 -0.125 0.435) 0.453 7.410 ( 0.000 -1.261 0.175) 1.273 8.981 ( -0.000 16.745 -5.163) 17.523 9.076 ( -0.000 2.028 0.092) 2.030 9.755 ( 0.000 -19.838 2.747) 20.028 13.611 ( -0.000 -0.945 -1.367) 1.662 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 5.489 1.519 -0.543) 5.721 3.107 ( 0.323 1.103 0.813) 1.408 3.769 ( -1.286 5.655 -0.898) 5.868 4.843 ( 6.376 5.540 -0.666) 8.473 5.345 ( -0.772 14.612 5.327) 15.572 5.490 ( -5.653 -7.616 0.102) 9.485 5.921 ( 18.609 -1.575 0.890) 18.696 7.405 ( 0.517 -0.846 0.294) 1.035 8.980 ( -7.666 8.778 -5.700) 12.974 9.302 ( 18.412 3.237 -1.138) 18.729 9.554 ( -5.464 -13.106 1.801) 14.313 13.535 ( -8.332 0.294 0.567) 8.356 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 9.046 -0.198 -0.526) 9.063 3.129 ( 0.380 1.143 1.656) 2.048 3.776 ( -2.625 2.631 0.475) 3.746 5.011 ( 9.707 0.089 -0.554) 9.724 5.334 ( -2.018 -8.972 -0.767) 9.228 5.477 ( -0.300 9.871 6.322) 11.726 6.290 ( 25.385 -1.337 0.117) 25.420 7.413 ( 1.241 -0.722 0.286) 1.464 8.844 ( -12.752 1.622 -6.783) 14.535 9.335 ( -9.972 -4.200 0.816) 10.851 9.748 ( 31.025 1.091 -0.287) 31.045 13.337 ( -16.533 2.068 1.811) 16.760 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 9.773 -2.213 -0.835) 10.055 3.150 ( 0.670 0.410 1.726) 1.896 3.737 ( -3.811 0.271 1.466) 4.093 5.117 ( 5.523 -7.862 -2.218) 9.861 5.294 ( 8.038 -5.756 0.489) 9.898 5.565 ( -1.336 6.228 6.927) 9.411 6.729 ( 27.568 -2.978 -0.877) 27.742 7.431 ( 1.666 -1.141 -0.164) 2.026 8.547 ( -16.417 -5.615 -5.068) 18.075 9.153 ( -11.761 5.370 -0.587) 12.942 10.328 ( 36.259 -3.859 0.173) 36.464 13.038 ( -22.966 5.975 2.216) 23.834 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.229 0.755 1.186) 1.424 3.224 ( 8.260 -6.641 -1.202) 10.666 3.676 ( -3.393 0.055 2.364) 4.135 5.102 ( 6.267 -9.922 -3.715) 12.309 5.406 ( 8.407 -6.921 1.239) 10.959 5.604 ( -1.502 4.427 6.942) 8.370 7.107 ( 20.633 -9.381 -0.555) 22.672 7.440 ( 2.208 -1.838 -3.111) 4.234 8.205 ( -14.024 -4.580 -0.989) 14.786 9.048 ( -9.634 11.709 -1.509) 15.237 10.804 ( 27.637 -17.711 0.383) 32.828 12.753 ( -20.689 16.394 2.013) 26.473 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -0.000 0.227 -0.558) 0.602 3.123 ( 0.000 1.600 1.900) 2.484 3.823 ( -0.000 3.054 0.507) 3.095 4.818 ( -0.000 0.616 -0.631) 0.882 5.421 ( 0.000 -9.492 3.979) 10.292 5.564 ( 0.000 8.314 3.013) 8.843 5.702 ( 0.000 -0.608 0.047) 0.610 7.396 ( 0.000 -0.388 0.132) 0.410 9.098 ( 0.000 0.003 0.201) 0.201 9.126 ( -0.000 1.412 -9.087) 9.196 9.526 ( 0.000 -3.581 1.379) 3.838 13.626 ( 0.000 2.492 2.098) 3.258 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 5.205 -1.430 -0.624) 5.434 3.146 ( 0.019 1.472 2.255) 2.693 3.830 ( -1.546 0.239 1.638) 2.265 4.850 ( 6.169 -4.547 -0.371) 7.673 5.244 ( -2.478 -17.277 0.625) 17.465 5.616 ( -2.395 8.357 6.198) 10.676 5.908 ( 17.524 0.881 0.510) 17.553 7.398 ( 0.378 0.062 -0.102) 0.396 8.962 ( -7.527 -7.540 -7.644) 13.113 9.274 ( 15.339 -3.919 -1.877) 15.943 9.516 ( -1.918 8.357 0.764) 8.609 13.594 ( -8.636 4.449 3.022) 10.174 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 8.320 -3.842 -0.883) 9.206 3.163 ( -0.077 0.773 1.848) 2.004 3.788 ( -2.683 -2.364 2.434) 4.325 4.909 ( 7.350 -10.740 -1.238) 13.073 5.082 ( 4.774 -14.647 0.341) 15.410 5.672 ( -1.664 4.723 7.848) 9.310 6.263 ( 23.284 -0.858 0.151) 23.301 7.407 ( 0.512 0.096 -0.690) 0.864 8.667 ( -11.083 -13.754 -6.681) 18.885 9.357 ( -2.611 2.114 -2.474) 4.172 9.790 ( 22.150 6.451 0.948) 23.090 13.444 ( -16.059 6.783 3.212) 17.726 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 8.661 -7.295 -1.184) 11.385 3.172 ( 0.199 0.136 1.140) 1.165 3.718 ( -2.601 -3.717 3.313) 5.618 4.858 ( 6.057 -15.443 -3.549) 16.964 5.141 ( 12.343 -10.885 1.587) 16.533 5.694 ( -2.069 1.849 8.131) 8.592 6.654 ( 23.688 -3.625 0.138) 23.964 7.396 ( -0.519 -2.360 -2.659) 3.593 8.320 ( -10.427 -13.028 -3.358) 17.022 9.308 ( -6.987 7.928 -2.884) 10.953 10.234 ( 23.986 -2.883 0.863) 24.174 13.234 ( -18.505 11.423 2.974) 21.949 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 0.000 -2.728 -0.785) 2.839 3.165 ( 0.000 0.907 2.052) 2.243 3.839 ( 0.000 -2.458 2.345) 3.397 4.722 ( 0.000 -9.861 0.141) 9.862 5.068 ( 0.000 -22.838 0.934) 22.857 5.689 ( -0.000 -0.651 -0.429) 0.780 5.815 ( 0.000 9.195 8.239) 12.346 7.399 ( -0.000 1.005 -0.459) 1.105 8.901 ( -0.000 -17.121 -9.658) 19.658 9.078 ( 0.000 -2.088 0.170) 2.094 9.657 ( -0.000 15.296 -0.766) 15.316 13.730 ( 0.000 5.927 3.678) 6.976 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 4.503 -4.757 -1.169) 6.654 3.171 ( -0.073 -0.766 1.084) 1.329 3.795 ( -1.513 -5.234 2.620) 6.046 4.663 ( 6.118 -14.327 0.135) 15.580 4.848 ( 1.900 -21.683 0.759) 21.779 5.717 ( 2.415 -0.527 3.254) 4.086 5.987 ( 9.775 3.646 6.239) 12.156 7.410 ( -0.219 1.584 -1.118) 1.951 8.619 ( -5.826 -20.840 -7.999) 23.070 9.168 ( 11.618 -5.437 -0.753) 12.849 9.826 ( -0.229 21.562 -1.206) 21.597 13.732 ( -8.371 6.954 3.700) 11.494 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 6.853 -7.907 -1.571) 10.581 3.157 ( 0.570 -2.801 0.122) 2.861 3.711 ( -1.725 -7.203 3.270) 8.097 4.583 ( 4.969 -18.790 -2.207) 19.561 4.799 ( 12.354 -15.680 2.189) 20.082 5.738 ( -0.112 -2.692 6.440) 6.981 6.265 ( 18.877 -0.801 3.645) 19.243 7.392 ( -2.175 -1.800 -3.101) 4.194 8.291 ( -6.077 -18.211 -4.707) 19.767 9.287 ( 8.612 -6.522 -1.735) 10.941 10.082 ( 4.967 21.224 -0.767) 21.811 13.621 ( -13.967 8.597 3.434) 16.756 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 0.000 -6.157 -1.755) 6.402 3.148 ( 0.000 -4.427 -0.675) 4.479 3.749 ( 0.000 -8.168 1.604) 8.324 4.450 ( 0.000 -17.757 1.639) 17.832 4.609 ( 0.000 -22.515 1.893) 22.594 5.666 ( -0.000 -1.512 -0.661) 1.650 5.974 ( 0.000 -0.402 11.123) 11.130 7.429 ( -0.000 1.842 -2.023) 2.736 8.414 ( -0.000 -23.919 -7.283) 25.004 9.024 ( 0.000 -3.186 0.006) 3.186 10.057 ( -0.000 24.982 -2.181) 25.077 13.883 ( 0.000 6.835 3.568) 7.711 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 3.447 -8.836 -2.406) 9.785 3.083 ( 1.205 -9.172 -2.320) 9.538 3.651 ( -0.610 -10.656 1.067) 10.727 4.314 ( 4.335 -19.589 1.209) 20.100 4.466 ( 6.597 -17.576 3.496) 19.096 5.681 ( 2.994 -4.024 1.410) 5.210 6.031 ( 8.039 -5.909 9.136) 13.527 7.392 ( -2.420 -6.064 -4.804) 8.106 8.172 ( -1.998 -14.614 -3.055) 15.063 9.061 ( 7.502 -4.879 -0.351) 8.956 10.304 ( -0.409 27.046 -2.155) 27.134 13.893 ( -7.554 6.795 3.138) 10.634 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -0.000 -10.700 -3.525) 11.266 2.924 ( -0.000 -17.389 -5.239) 18.161 3.532 ( 0.000 -13.936 -0.953) 13.968 4.070 ( 0.000 -21.550 3.558) 21.841 4.285 ( 0.000 -11.492 5.522) 12.750 5.619 ( 0.000 -2.845 -0.617) 2.911 5.884 ( 0.000 -16.391 10.254) 19.334 7.273 ( -0.000 -19.600 -7.454) 20.969 8.115 ( 0.000 1.665 1.243) 2.078 8.962 ( 0.000 -2.823 -0.122) 2.826 10.575 ( -0.000 28.057 -1.955) 28.125 14.026 ( 0.000 5.571 2.271) 6.016 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 -0.000 29.208) 29.208 0.825 ( 0.000 -0.000 29.208) 29.208 1.488 ( 0.000 -0.000 52.806) 52.806 2.796 ( -0.000 0.000 -9.875) 9.875 2.796 ( -0.000 0.000 -9.875) 9.875 5.152 ( -0.000 0.000 -18.664) 18.664 5.316 ( 0.000 -0.000 0.663) 0.663 5.316 ( 0.000 -0.000 0.663) 0.663 8.970 ( 0.000 -0.000 0.993) 0.993 8.970 ( 0.000 -0.000 0.993) 0.993 9.493 ( 0.000 -0.000 1.190) 1.190 14.758 ( 0.000 -0.000 0.597) 0.597 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 11.694 6.752 23.140) 26.792 1.190 ( 12.148 7.013 28.241) 31.533 1.920 ( 23.765 13.721 38.849) 47.563 2.862 ( 6.425 3.710 -9.158) 11.786 2.985 ( 19.218 11.096 -15.955) 27.332 4.609 ( -21.120 -12.194 -5.760) 25.058 5.338 ( 1.698 0.980 0.632) 2.060 5.560 ( 13.283 7.669 1.517) 15.412 8.966 ( -0.757 -0.437 1.012) 1.337 9.140 ( -3.563 -2.057 -11.968) 12.655 10.526 ( 71.800 41.454 -28.568) 87.692 14.415 ( -25.964 -14.990 4.216) 30.276 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 17.134 9.892 14.995) 24.825 1.518 ( 11.069 6.391 23.247) 26.529 2.579 ( 22.343 12.900 20.270) 32.810 3.035 ( 11.204 6.469 -7.788) 15.101 3.545 ( 33.771 19.498 -14.339) 41.548 4.279 ( -7.036 -4.062 -7.093) 10.785 5.394 ( 2.929 1.691 0.507) 3.420 5.922 ( 17.412 10.053 3.772) 20.457 8.928 ( -10.806 -6.239 -9.406) 15.625 8.945 ( -1.156 -0.667 0.834) 1.574 11.730 ( 37.892 21.877 -14.489) 46.091 13.790 ( -25.552 -14.753 -5.965) 30.102 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 15.932 9.199 9.082) 20.517 1.866 ( 14.790 8.539 13.470) 21.751 3.022 ( 13.417 7.747 6.675) 16.870 3.324 ( 15.832 9.141 -5.879) 19.204 4.137 ( 7.208 4.162 -7.243) 11.033 4.433 ( 33.965 19.610 -8.505) 40.131 5.471 ( 3.577 2.065 0.479) 4.158 6.353 ( 18.901 10.913 4.894) 22.367 8.626 ( -12.828 -7.406 -7.064) 16.411 8.925 ( -0.618 -0.357 0.549) 0.900 12.095 ( -7.976 -4.605 17.518) 19.792 13.391 ( -1.368 -0.790 -27.283) 27.329 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 12.487 7.209 4.944) 15.242 2.270 ( 17.772 10.260 5.832) 21.333 3.252 ( 6.771 3.909 -1.455) 7.953 3.703 ( 18.327 10.581 -4.093) 21.555 4.302 ( 10.646 6.147 -0.943) 12.330 5.199 ( 31.580 18.233 -10.112) 37.841 5.555 ( 3.587 2.071 0.646) 4.192 6.799 ( 18.506 10.684 5.422) 22.046 8.337 ( -10.024 -5.787 -4.132) 12.290 8.927 ( 0.749 0.433 0.296) 0.914 11.633 ( -31.307 -18.075 16.954) 39.929 13.467 ( 9.628 5.559 -20.781) 23.568 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 9.131 5.272 2.497) 10.836 2.685 ( 16.918 9.767 1.401) 19.585 3.365 ( 4.990 2.881 -4.034) 7.034 4.105 ( 17.301 9.989 -2.792) 20.172 4.598 ( 14.564 8.409 1.449) 16.880 5.632 ( 2.899 1.674 0.849) 3.453 5.736 ( 17.821 10.289 -11.358) 23.505 7.191 ( 13.183 7.611 4.585) 15.898 8.205 ( 0.476 0.275 0.238) 0.599 8.963 ( 2.260 1.305 0.134) 2.613 10.927 ( -32.732 -18.898 9.572) 38.989 13.597 ( 5.515 3.184 -10.981) 12.694 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 6.147 3.549 1.285) 7.213 3.001 ( 9.945 5.742 -1.290) 11.555 3.499 ( 8.270 4.775 -3.038) 10.021 4.452 ( 13.450 7.765 -1.535) 15.606 4.953 ( 16.062 9.274 0.928) 18.570 5.687 ( 1.618 0.934 0.811) 2.037 5.940 ( 3.628 2.095 -11.018) 11.787 7.382 ( 3.362 1.941 1.853) 4.302 8.380 ( 12.269 7.084 5.676) 15.262 9.024 ( 2.884 1.665 -0.007) 3.331 10.253 ( -27.475 -15.863 4.957) 32.110 13.653 ( 1.988 1.147 -5.962) 6.389 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 3.231 1.866 0.797) 3.815 3.138 ( 3.638 2.101 -2.404) 4.840 3.697 ( 8.508 4.912 -1.471) 9.933 4.695 ( 7.822 4.516 -0.131) 9.033 5.326 ( 16.510 9.532 -0.977) 19.090 5.710 ( 0.199 0.115 0.426) 0.484 5.862 ( -7.264 -4.194 -8.987) 12.293 7.414 ( 0.112 0.065 0.080) 0.152 8.677 ( 9.750 5.629 9.005) 14.417 9.082 ( 1.995 1.152 -0.175) 2.310 9.752 ( -16.605 -9.587 2.236) 19.304 13.669 ( 1.153 0.666 -3.763) 3.991 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 0.260 0.150 0.753) 0.810 3.185 ( 1.452 0.838 -2.086) 2.677 3.835 ( 3.432 1.982 -0.215) 3.969 4.795 ( 0.669 0.386 0.794) 1.107 5.559 ( -14.196 -8.196 -4.304) 16.948 5.696 ( 13.615 7.861 -6.245) 16.916 5.703 ( -0.659 -0.380 -0.030) 0.761 7.405 ( -0.669 -0.387 -0.553) 0.951 8.820 ( -0.537 -0.310 10.969) 10.986 9.105 ( 0.001 0.001 -0.269) 0.269 9.540 ( -2.070 -1.195 0.259) 2.404 13.699 ( 2.715 1.567 -2.624) 4.088 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -2.745 -1.585 1.085) 3.350 3.194 ( -0.422 -0.243 -1.027) 1.136 3.848 ( -2.316 -1.337 1.343) 2.992 4.720 ( -7.476 -4.316 0.334) 8.639 5.125 ( -20.577 -11.880 -4.935) 24.267 5.685 ( -0.878 -0.507 -0.018) 1.014 5.971 ( 10.358 5.980 -7.834) 14.297 7.392 ( -0.109 -0.063 0.217) 0.251 8.701 ( -12.762 -7.368 10.749) 18.240 9.081 ( -1.938 -1.119 -0.188) 2.246 9.658 ( 12.053 6.959 -0.640) 13.932 13.781 ( 4.977 2.873 -1.625) 5.972 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -5.814 -3.357 1.902) 6.977 3.139 ( -5.262 -3.038 1.294) 6.213 3.744 ( -7.229 -4.174 2.340) 8.669 4.464 ( -14.601 -8.430 -1.393) 16.918 4.644 ( -19.071 -11.011 -5.466) 22.690 5.661 ( -1.412 -0.815 0.377) 1.673 6.073 ( 0.052 0.030 -10.079) 10.079 7.407 ( 0.242 0.140 2.803) 2.817 8.349 ( -18.254 -10.539 6.613) 22.091 9.024 ( -2.832 -1.635 -0.005) 3.270 10.046 ( 21.066 12.163 0.278) 24.327 13.905 ( 5.925 3.421 -1.134) 6.935 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.000 20.749 22.519) 30.621 1.261 ( 0.000 18.851 24.722) 31.090 1.990 ( 0.000 18.013 42.683) 46.328 2.726 ( -0.000 2.559 -12.760) 13.014 3.024 ( -0.000 24.548 -13.633) 28.079 4.600 ( -0.000 -23.678 -8.873) 25.286 5.341 ( 0.000 2.017 0.619) 2.110 5.536 ( -0.000 14.419 1.226) 14.471 8.961 ( 0.000 -1.212 0.975) 1.556 9.096 ( -0.000 -4.559 -11.365) 12.245 10.431 ( -0.000 75.533 -21.180) 78.446 14.456 ( 0.000 -25.685 2.502) 25.806 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 2.252 23.461 17.119) 29.130 1.574 ( 3.801 14.181 24.827) 28.843 2.463 ( 16.026 18.091 27.213) 36.396 2.846 ( 12.503 5.331 -11.548) 17.835 3.359 ( 13.002 31.731 -14.192) 37.113 4.304 ( -6.338 -11.311 -8.986) 15.775 5.390 ( 1.954 3.684 0.537) 4.205 5.800 ( 10.898 15.468 2.733) 19.118 8.939 ( -3.174 -6.951 -5.061) 9.166 8.961 ( -1.757 -4.525 -3.826) 6.181 11.348 ( 31.313 45.065 -17.620) 57.635 14.015 ( -19.606 -23.031 -2.247) 30.330 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 5.933 19.255 13.591) 24.304 1.854 ( 6.431 14.945 16.313) 23.040 2.905 ( 12.609 10.056 9.174) 18.555 3.153 ( 15.407 12.042 -6.511) 20.610 3.955 ( 20.154 20.749 -11.809) 31.243 4.210 ( 8.444 8.734 -6.696) 13.872 5.478 ( 2.195 6.569 0.533) 6.946 6.188 ( 15.305 14.307 4.076) 21.343 8.691 ( -8.518 -11.839 -7.723) 16.504 8.942 ( -0.619 0.070 0.570) 0.845 12.036 ( 16.138 6.881 6.822) 18.824 13.465 ( -17.646 -7.942 -18.654) 26.878 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 7.754 13.669 10.010) 18.633 2.191 ( 9.518 17.046 7.159) 20.794 3.164 ( 7.799 4.644 -0.226) 9.080 3.543 ( 15.542 16.862 -5.248) 23.525 4.172 ( 9.634 4.153 -3.431) 11.038 4.825 ( 29.130 22.271 -8.774) 37.703 5.600 ( 1.741 11.583 0.489) 11.724 6.612 ( 17.260 12.049 5.006) 21.637 8.404 ( -8.734 -10.510 -5.464) 14.717 8.946 ( -0.342 2.471 0.408) 2.528 11.942 ( -19.534 -22.259 19.821) 35.636 13.316 ( 5.425 8.472 -25.081) 27.023 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 6.198 11.555 4.701) 13.930 2.558 ( 12.553 15.061 3.819) 19.975 3.288 ( 5.128 1.823 -4.331) 6.955 3.966 ( 14.601 18.271 -3.766) 23.689 4.434 ( 13.890 7.470 0.539) 15.780 5.371 ( 19.691 5.536 -7.834) 21.903 5.786 ( 2.191 20.017 -1.826) 20.219 7.029 ( 16.552 9.078 5.406) 19.637 8.197 ( -3.033 -5.878 -2.418) 7.043 8.987 ( 0.232 5.863 0.331) 5.877 11.298 ( -30.448 -23.785 11.383) 40.279 13.460 ( 8.433 3.215 -13.340) 16.106 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 3.873 9.591 2.247) 10.584 2.900 ( 10.360 10.364 0.895) 14.681 3.394 ( 7.232 2.843 -3.910) 8.699 4.354 ( 11.427 16.458 -2.296) 20.167 4.769 ( 15.541 8.378 0.878) 17.677 5.592 ( 8.524 -1.310 -4.558) 9.755 5.990 ( -0.942 17.142 -5.688) 18.085 7.328 ( 7.736 4.031 3.469) 9.388 8.231 ( 10.360 1.108 2.559) 10.729 9.070 ( 0.127 9.931 0.385) 9.939 10.582 ( -29.631 -20.318 5.680) 36.374 13.553 ( 5.790 -2.688 -6.690) 9.247 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 1.404 7.745 1.172) 7.958 3.090 ( 4.417 3.974 -1.719) 6.185 3.580 ( 10.032 4.779 -1.653) 11.235 4.652 ( 6.873 12.743 -0.764) 14.499 5.124 ( 16.178 7.941 -0.334) 18.025 5.653 ( 3.084 -3.103 -4.495) 6.273 6.032 ( -8.584 12.188 -4.817) 15.666 7.416 ( 0.672 1.138 0.727) 1.508 8.511 ( 15.512 1.651 7.121) 17.148 9.181 ( -1.670 14.288 0.594) 14.397 9.963 ( -22.438 -15.635 2.495) 27.461 13.578 ( 4.611 -5.866 -3.943) 8.439 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -1.261 5.831 0.778) 6.017 3.158 ( 2.035 1.356 -2.327) 3.376 3.766 ( 6.895 2.498 -0.601) 7.358 4.825 ( 1.036 8.222 0.472) 8.301 5.444 ( 12.167 1.295 -0.791) 12.262 5.607 ( -0.300 -3.443 -7.778) 8.511 5.951 ( -12.799 13.657 -1.360) 18.767 7.416 ( -0.958 0.313 -0.479) 1.116 8.750 ( 9.008 -3.215 9.585) 13.541 9.278 ( -6.826 17.748 0.562) 19.024 9.565 ( -8.273 -10.575 0.733) 13.446 13.591 ( 5.871 -6.472 -2.989) 9.236 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -4.009 3.744 0.818) 5.546 3.185 ( 0.931 0.368 -1.860) 2.113 3.846 ( 1.568 -0.848 0.038) 1.783 4.841 ( -6.549 3.465 0.618) 7.435 5.284 ( -13.519 -12.650 -3.476) 18.838 5.728 ( 4.736 3.563 -5.215) 7.895 5.932 ( -3.340 15.334 -2.273) 15.858 7.399 ( -0.827 0.027 -0.294) 0.879 8.780 ( -2.679 -9.357 10.868) 14.589 9.255 ( -11.213 11.087 0.306) 15.771 9.530 ( 7.677 2.688 -0.537) 8.152 13.647 ( 8.548 -5.284 -2.445) 10.342 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -6.697 1.389 1.285) 6.959 3.178 ( -1.541 -0.879 -0.523) 1.850 3.805 ( -3.721 -3.545 0.320) 5.150 4.665 ( -14.940 -2.091 -0.468) 15.093 4.866 ( -19.445 -9.481 -3.120) 21.857 5.739 ( -4.027 3.900 -1.596) 5.828 6.054 ( 1.424 8.573 -7.882) 11.732 7.399 ( 0.795 0.062 1.305) 1.530 8.540 ( -14.281 -14.051 8.768) 21.869 9.162 ( -10.025 6.907 0.464) 12.183 9.820 ( 17.799 10.493 0.012) 20.662 13.759 ( 10.317 -3.779 -2.164) 11.198 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.000 21.330 17.334) 27.485 1.792 ( 0.000 19.774 19.178) 27.546 2.600 ( 0.000 19.895 25.836) 32.609 2.760 ( -0.000 9.846 -13.308) 16.554 3.553 ( -0.000 36.145 -14.009) 38.765 4.211 ( -0.000 -9.761 -9.411) 13.559 5.400 ( -0.000 3.605 0.465) 3.635 5.908 ( -0.000 21.510 3.096) 21.731 8.842 ( -0.000 -13.274 -8.846) 15.952 8.939 ( 0.000 -1.404 0.839) 1.636 11.497 ( -0.000 40.144 -8.633) 41.062 13.933 ( -0.000 -23.088 -7.577) 24.300 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -0.013 16.174 16.887) 23.383 2.023 ( 0.902 22.007 11.422) 24.812 2.874 ( 6.163 12.883 5.063) 15.152 3.009 ( 14.106 16.036 -1.151) 21.388 3.896 ( 6.665 18.321 -14.458) 24.271 4.194 ( 4.761 16.803 -5.391) 18.278 5.483 ( 4.326 5.407 0.460) 6.940 6.192 ( 5.906 21.773 3.749) 22.869 8.642 ( -3.984 -14.718 -7.165) 16.847 8.938 ( 0.840 -0.563 0.606) 1.179 11.888 ( 11.303 10.191 7.214) 16.842 13.594 ( -12.380 -10.267 -18.091) 24.207 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 2.614 13.930 12.042) 18.598 2.304 ( 3.107 21.389 5.758) 22.367 3.095 ( 6.020 6.693 -0.074) 9.003 3.439 ( 16.444 19.624 -4.656) 26.023 4.048 ( 8.058 5.041 -4.597) 10.558 4.657 ( 16.352 29.031 -7.515) 34.157 5.658 ( 6.508 11.303 0.510) 13.053 6.535 ( 9.272 18.388 4.199) 21.017 8.393 ( -5.862 -13.546 -5.242) 15.664 8.965 ( 1.383 2.178 0.425) 2.615 11.960 ( -3.143 -22.709 19.341) 29.994 13.337 ( -6.067 8.315 -25.051) 27.084 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 4.895 12.791 7.426) 15.579 2.588 ( 5.336 19.488 2.739) 20.390 3.208 ( 4.312 1.636 -4.868) 6.706 3.912 ( 15.172 22.816 -4.212) 27.722 4.290 ( 12.077 8.620 1.205) 14.886 5.129 ( 15.381 13.640 -7.732) 21.964 5.930 ( 6.188 20.372 -0.653) 21.301 6.889 ( 12.264 13.143 4.780) 18.601 8.173 ( -4.038 -9.497 -3.205) 10.806 9.038 ( 1.992 6.739 0.450) 7.042 11.516 ( -20.253 -29.681 13.073) 38.236 13.350 ( 3.108 6.151 -15.591) 17.046 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 3.272 12.114 3.661) 13.071 2.877 ( 6.774 14.570 1.945) 16.185 3.286 ( 6.100 1.531 -5.320) 8.237 4.352 ( 11.180 22.110 -2.877) 24.942 4.608 ( 13.679 9.550 1.924) 16.793 5.404 ( 10.682 2.783 -6.651) 12.887 6.201 ( -0.134 22.065 -2.766) 22.238 7.223 ( 11.661 7.734 4.863) 14.814 8.092 ( 4.229 -3.693 -0.537) 5.640 9.170 ( 2.195 12.183 0.776) 12.403 10.867 ( -26.090 -24.601 6.082) 36.371 13.400 ( 4.591 -3.217 -7.458) 9.330 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 0.742 11.197 1.627) 11.339 3.068 ( 3.187 5.986 -0.455) 6.797 3.447 ( 10.106 4.744 -2.318) 11.402 4.697 ( 6.225 18.677 -1.371) 19.735 4.945 ( 14.303 9.058 0.710) 16.945 5.530 ( 6.114 -1.779 -6.204) 8.890 6.326 ( -7.665 19.524 -2.787) 21.159 7.414 ( 2.857 3.580 2.037) 5.013 8.257 ( 15.520 -1.019 4.004) 16.061 9.345 ( 1.285 15.307 1.533) 15.437 10.229 ( -25.240 -15.735 1.846) 29.801 13.397 ( 4.989 -10.058 -3.773) 11.844 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( -1.957 9.741 0.802) 9.968 3.136 ( 1.539 1.972 -1.877) 3.128 3.655 ( 8.847 3.129 -0.522) 9.398 4.919 ( 1.117 13.948 -0.117) 13.993 5.262 ( 12.848 6.090 -0.352) 14.223 5.544 ( 1.421 -3.356 -6.718) 7.643 6.333 ( -12.611 19.414 -1.243) 23.184 7.445 ( -1.461 1.767 -0.310) 2.314 8.530 ( 15.125 -4.148 7.458) 17.367 9.464 ( -0.770 -0.015 2.327) 2.451 9.784 ( -19.582 9.847 -0.754) 21.932 13.368 ( 7.069 -13.414 -2.664) 15.395 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( -4.828 7.784 0.622) 9.180 3.165 ( 1.187 0.736 -2.007) 2.445 3.784 ( 4.667 -0.381 -0.323) 4.693 5.002 ( -4.871 8.679 0.340) 9.958 5.340 ( -5.596 -6.833 -1.221) 8.916 5.603 ( 9.129 4.425 -7.010) 12.331 6.292 ( -14.240 20.411 -0.116) 24.888 7.423 ( -1.893 0.701 -0.725) 2.144 8.687 ( 6.605 -9.333 9.569) 14.910 9.348 ( 0.817 -11.018 -0.484) 11.059 9.742 ( -14.220 27.956 0.377) 31.367 13.379 ( 10.930 -13.205 -2.499) 17.323 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( -7.673 5.195 0.856) 9.305 3.178 ( 0.410 0.039 -1.521) 1.576 3.804 ( -0.135 -3.064 -0.953) 3.212 4.902 ( -13.167 0.155 0.288) 13.171 5.090 ( -14.750 -3.048 -1.190) 15.109 5.742 ( 4.713 1.273 -7.037) 8.565 6.268 ( -11.174 19.457 -1.063) 22.463 7.401 ( -0.792 0.006 0.494) 0.934 8.597 ( -5.926 -14.970 8.333) 18.129 9.340 ( 2.080 -1.607 1.268) 2.918 9.798 ( -5.221 22.396 -0.813) 23.010 13.470 ( 14.205 -10.580 -2.543) 17.893 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.000 12.528 9.761) 15.881 2.256 ( 0.000 21.658 10.623) 24.123 2.996 ( -0.000 21.139 -7.375) 22.388 3.031 ( 0.000 11.941 9.182) 15.063 3.913 ( -0.000 5.429 -11.178) 12.427 4.400 ( -0.000 35.134 -5.391) 35.546 5.483 ( -0.000 4.429 0.335) 4.442 6.402 ( -0.000 26.145 3.663) 26.401 8.503 ( -0.000 -15.781 -5.661) 16.766 8.923 ( 0.000 -0.527 0.574) 0.779 11.873 ( 0.000 -4.821 14.758) 15.525 13.565 ( -0.000 -2.370 -22.850) 22.973 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 0.821 10.433 6.172) 12.150 2.504 ( 0.806 21.747 5.618) 22.475 3.111 ( 0.157 7.473 -1.260) 7.580 3.360 ( 13.885 21.870 -3.365) 26.123 3.993 ( 4.542 8.789 -2.108) 10.116 4.775 ( 4.471 32.725 -6.358) 33.635 5.606 ( 8.418 6.689 0.428) 10.761 6.687 ( 1.319 25.891 3.105) 26.110 8.313 ( -2.673 -14.205 -3.710) 14.923 8.946 ( 2.460 1.134 0.378) 2.735 11.792 ( 0.338 -25.738 18.444) 31.666 13.462 ( -5.952 8.354 -23.387) 25.538 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 4.235 10.393 4.930) 12.258 2.744 ( 1.389 20.854 1.745) 20.973 3.155 ( 1.678 1.639 -5.882) 6.333 3.852 ( 17.077 23.952 -3.107) 29.580 4.218 ( 8.571 12.046 3.489) 15.191 5.098 ( 4.952 19.208 -6.476) 20.866 5.911 ( 14.900 13.104 0.246) 19.844 6.958 ( 1.621 21.781 2.387) 21.971 8.131 ( -3.231 -9.518 -1.970) 10.243 9.039 ( 4.884 5.226 0.356) 7.162 11.474 ( -7.946 -34.271 13.616) 37.723 13.395 ( -4.833 8.264 -16.197) 18.815 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 5.488 10.524 3.890) 12.490 2.969 ( 1.871 16.915 1.322) 17.070 3.192 ( 4.165 1.442 -7.037) 8.303 4.353 ( 14.544 23.059 -2.764) 27.403 4.517 ( 10.498 12.362 4.193) 16.751 5.292 ( 5.117 7.738 -5.948) 11.020 6.306 ( 12.062 16.541 -0.775) 20.487 7.192 ( 4.263 14.805 2.860) 15.670 8.023 ( -0.943 -3.546 -1.000) 3.803 9.217 ( 6.156 10.843 0.761) 12.492 10.975 ( -15.269 -30.516 6.862) 34.806 13.337 ( -2.778 -0.292 -8.402) 8.854 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 3.279 10.534 1.996) 11.211 3.103 ( 0.191 6.283 0.283) 6.292 3.328 ( 8.591 6.934 -3.825) 11.684 4.765 ( 9.248 20.383 -1.966) 22.469 4.832 ( 10.981 11.611 2.735) 16.213 5.402 ( 5.023 0.858 -5.501) 7.498 6.588 ( 1.108 18.064 -1.666) 18.175 7.409 ( 5.053 8.813 3.275) 10.674 8.041 ( 6.861 -1.628 0.432) 7.065 9.433 ( 3.927 10.977 1.800) 11.797 10.458 ( -17.018 -16.440 1.744) 23.726 13.237 ( -0.740 -9.807 -3.798) 10.543 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 0.272 9.201 0.477) 9.217 3.145 ( -0.287 3.782 -0.878) 3.893 3.535 ( 8.714 4.250 -0.707) 9.721 5.045 ( 2.410 16.525 -0.556) 16.709 5.132 ( 11.098 9.213 0.693) 14.440 5.452 ( 3.723 -2.140 -5.274) 6.801 6.714 ( -7.279 20.524 -0.995) 21.799 7.509 ( -2.193 5.531 0.318) 5.958 8.223 ( 15.964 -5.310 4.323) 17.371 9.449 ( -4.656 -11.135 2.173) 12.263 10.219 ( -10.835 19.342 -0.717) 22.182 13.108 ( 3.080 -17.348 -2.042) 17.737 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -1.965 7.083 -0.023) 7.350 3.165 ( -1.472 3.708 -1.101) 4.138 3.685 ( 6.384 -0.085 -0.131) 6.385 5.167 ( -3.390 9.798 -0.143) 10.368 5.338 ( 2.800 2.047 0.655) 3.530 5.492 ( 5.614 2.706 -6.092) 8.715 6.752 ( -13.037 22.665 0.282) 26.148 7.483 ( -4.216 2.484 -1.339) 5.073 8.436 ( 14.028 -10.069 7.028) 18.643 9.216 ( -2.151 -16.307 -0.025) 16.448 10.313 ( -14.078 34.092 0.101) 36.884 13.019 ( 9.979 -20.477 -1.897) 22.858 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( -6.989 7.211 0.648) 10.063 3.166 ( 0.149 0.603 -1.600) 1.716 3.748 ( 2.853 -2.762 -0.971) 4.088 5.103 ( -10.019 -0.207 0.869) 10.058 5.298 ( -8.634 4.633 -0.348) 9.805 5.628 ( 6.975 1.971 -6.737) 9.895 6.721 ( -16.178 21.994 0.815) 27.316 7.432 ( -2.674 0.413 -0.324) 2.725 8.492 ( 3.627 -15.259 6.736) 17.070 9.151 ( 9.406 -8.131 -0.003) 12.433 10.329 ( -21.098 29.632 -0.063) 36.375 13.058 ( 17.090 -16.989 -2.194) 24.197 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -0.000 7.735 1.228) 7.831 2.729 ( -0.000 21.689 3.507) 21.970 3.159 ( -0.000 1.673 -6.426) 6.640 3.460 ( -0.000 26.447 -0.638) 26.455 4.067 ( -0.000 13.641 3.341) 14.044 5.049 ( -0.000 30.485 -5.370) 30.954 5.573 ( -0.000 4.299 0.295) 4.309 6.958 ( -0.000 27.415 1.439) 27.453 8.197 ( 0.000 -11.296 -1.452) 11.389 8.930 ( -0.000 1.054 0.248) 1.083 11.560 ( 0.000 -32.428 16.493) 36.382 13.536 ( -0.000 9.489 -20.061) 22.192 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 3.442 7.582 0.517) 8.343 2.944 ( -0.038 20.689 0.395) 20.693 3.136 ( -0.205 0.350 -7.934) 7.944 3.828 ( 11.789 25.032 -0.444) 27.673 4.265 ( 3.782 15.848 6.226) 17.442 5.264 ( -2.745 19.442 -4.541) 20.154 5.750 ( 13.909 7.481 0.430) 15.800 7.198 ( -1.473 22.315 -0.572) 22.371 8.103 ( -1.925 -3.328 0.490) 3.876 8.991 ( 5.052 3.280 0.168) 6.026 11.244 ( -2.441 -36.486 12.165) 38.538 13.524 ( -5.076 7.658 -14.364) 17.051 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 6.775 7.937 1.335) 10.520 3.113 ( -0.380 3.957 1.969) 4.436 3.150 ( 1.945 14.602 -9.520) 17.539 4.303 ( 15.651 22.160 -1.113) 27.152 4.526 ( 6.124 15.467 5.962) 17.671 5.345 ( -2.074 9.871 -4.092) 10.885 6.135 ( 19.753 8.658 0.934) 21.587 7.340 ( -1.505 13.279 -1.015) 13.402 8.072 ( -4.127 6.368 0.464) 7.603 9.176 ( 9.669 8.342 0.422) 12.777 10.842 ( -5.979 -35.146 7.057) 36.343 13.425 ( -8.157 2.176 -8.368) 11.886 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 7.103 8.006 1.421) 10.797 3.129 ( 1.369 0.332 -0.892) 1.668 3.323 ( 2.292 14.290 -4.005) 15.017 4.756 ( 13.348 18.713 -1.435) 23.031 4.808 ( 8.083 13.823 4.372) 16.599 5.375 ( -0.859 3.939 -3.718) 5.485 6.554 ( 17.611 9.028 0.800) 19.806 7.442 ( 2.597 7.391 0.859) 7.881 8.064 ( -6.064 8.957 -1.033) 10.865 9.442 ( 7.487 9.412 1.247) 12.091 10.447 ( -4.447 -23.805 2.462) 24.341 13.239 ( -9.476 -5.445 -3.912) 11.608 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 2.756 4.995 -0.138) 5.707 3.183 ( 3.016 4.402 0.475) 5.357 3.473 ( 3.528 7.597 -1.698) 8.546 5.075 ( 8.084 12.090 1.895) 14.667 5.121 ( 8.557 15.049 -0.381) 17.316 5.376 ( 0.508 -0.432 -3.348) 3.414 6.887 ( 8.267 13.005 -0.143) 15.411 7.586 ( 4.719 5.912 2.219) 7.883 8.038 ( -2.011 2.101 -0.880) 3.039 9.438 ( -7.494 -12.906 1.689) 15.020 10.422 ( 7.975 13.347 -0.281) 15.551 12.978 ( -8.314 -14.397 -1.537) 16.697 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 0.898 1.497 -0.603) 1.847 3.285 ( -0.764 9.132 0.149) 9.166 3.580 ( 4.874 0.315 -0.195) 4.888 5.290 ( 0.476 5.387 1.778) 5.693 5.319 ( 3.417 9.887 -0.945) 10.504 5.412 ( 5.824 2.769 -3.339) 7.262 7.100 ( -1.002 18.219 0.304) 18.249 7.637 ( -8.176 7.682 -1.444) 11.312 8.093 ( 13.114 -10.425 3.609) 17.137 9.122 ( -7.292 -18.094 0.291) 19.511 10.786 ( 2.021 33.722 -0.035) 33.783 12.691 ( -1.052 -23.858 -0.966) 23.901 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 0.886 0.957 -0.762) 1.510 3.309 ( -6.541 7.859 0.209) 10.227 3.649 ( 4.959 -3.131 -0.518) 5.888 5.245 ( -6.218 0.223 1.558) 6.414 5.452 ( -1.184 8.012 -0.424) 8.110 5.522 ( 4.983 2.121 -4.534) 7.062 7.203 ( -11.741 21.769 1.941) 24.810 7.511 ( -7.840 0.652 -2.135) 8.152 8.219 ( 12.258 -15.147 4.463) 19.990 8.934 ( 3.812 -10.647 -0.383) 11.315 11.003 ( -18.973 33.711 0.236) 38.684 12.555 ( 16.188 -24.470 -1.397) 29.373 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -0.000 6.456 -1.303) 6.587 3.111 ( -0.000 0.428 -10.094) 10.103 3.143 ( -0.000 18.742 0.193) 18.743 3.972 ( -0.000 24.427 0.951) 24.445 4.425 ( 0.000 17.887 7.547) 19.414 5.489 ( -0.000 16.535 -2.518) 16.726 5.650 ( -0.000 3.211 0.308) 3.226 7.381 ( -0.000 11.754 -2.561) 12.029 8.159 ( -0.000 10.732 1.870) 10.894 8.967 ( -0.000 2.532 0.015) 2.532 10.934 ( 0.000 -36.854 9.287) 38.006 13.598 ( -0.000 5.428 -10.871) 12.151 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 4.913 6.126 -0.880) 7.902 3.092 ( 0.560 0.199 -5.794) 5.824 3.313 ( -0.499 17.239 -2.683) 17.454 4.290 ( 9.682 21.160 0.309) 23.272 4.645 ( 2.008 17.874 6.869) 19.253 5.499 ( -6.322 7.325 -1.613) 9.810 5.884 ( 16.587 4.975 1.063) 17.349 7.432 ( -0.519 3.058 -1.946) 3.662 8.288 ( -4.532 19.745 0.042) 20.258 9.076 ( 8.968 5.224 0.097) 10.379 10.579 ( -2.504 -35.299 5.925) 35.881 13.556 ( -6.202 2.150 -6.796) 9.449 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 8.412 5.717 -0.015) 10.171 3.099 ( 1.277 0.330 -2.196) 2.562 3.449 ( -0.670 14.186 -2.943) 14.504 4.682 ( 13.617 16.212 -0.462) 21.177 4.878 ( 3.251 16.431 5.150) 17.523 5.457 ( -4.334 3.434 -1.433) 5.712 6.262 ( 21.841 3.613 1.865) 22.216 7.446 ( 1.187 0.700 -0.426) 1.442 8.355 ( -9.834 18.656 -2.415) 21.227 9.362 ( 13.380 9.632 0.380) 16.491 10.217 ( -1.275 -30.226 2.824) 30.384 13.388 ( -11.841 -1.836 -3.231) 12.410 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 7.317 4.686 -0.134) 8.690 3.133 ( 3.493 0.767 0.290) 3.588 3.546 ( -1.193 9.777 -1.885) 10.028 5.045 ( 13.098 10.570 -0.452) 16.837 5.107 ( 4.273 14.092 3.113) 15.050 5.410 ( -3.188 1.148 -0.836) 3.490 6.694 ( 22.572 4.806 1.180) 23.108 7.499 ( 5.075 -0.738 1.254) 5.280 8.301 ( -14.120 13.938 -3.758) 20.194 9.460 ( -7.766 -10.283 1.056) 12.929 10.211 ( 22.729 0.855 0.194) 22.746 13.097 ( -16.587 -6.652 -0.870) 17.892 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 0.946 1.329 0.025) 1.631 3.283 ( 8.520 3.909 0.487) 9.387 3.582 ( -2.454 4.332 -0.634) 5.019 5.301 ( 5.854 6.579 2.734) 9.221 5.310 ( 5.654 4.032 -2.523) 7.389 5.393 ( 0.491 6.150 0.828) 6.225 7.103 ( 16.457 8.880 -0.350) 18.703 7.618 ( 10.815 -4.134 2.808) 11.914 8.127 ( -17.030 7.449 -3.721) 18.957 9.122 ( -11.945 -15.651 0.482) 19.695 10.786 ( 28.200 18.765 -0.139) 33.873 12.686 ( -19.874 -13.159 0.144) 23.836 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 0.575 0.995 -0.000) 1.149 3.449 ( 3.719 6.441 -0.000) 7.438 3.546 ( -1.673 -2.897 -0.000) 3.345 5.313 ( -0.826 -1.430 0.000) 1.651 5.451 ( 3.154 5.463 -0.000) 6.308 5.523 ( 2.951 5.112 -0.000) 5.903 7.405 ( 6.609 11.448 -0.000) 13.219 7.756 ( 0.180 0.312 -0.000) 0.360 7.881 ( -4.531 -7.848 0.000) 9.062 8.843 ( -4.857 -8.412 -0.000) 9.713 11.449 ( 17.727 30.704 -0.000) 35.454 12.180 ( -14.802 -25.637 -0.000) 29.604 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -0.000 5.122 -1.419) 5.315 3.076 ( -0.000 0.875 -4.232) 4.321 3.469 ( -0.000 14.905 -2.823) 15.170 4.407 ( -0.000 18.763 0.425) 18.768 4.833 ( 0.000 18.620 6.531) 19.732 5.683 ( -0.000 4.099 1.188) 4.268 5.699 ( -0.000 1.480 0.301) 1.510 7.436 ( -0.000 -0.769 -1.057) 1.307 8.552 ( -0.000 23.618 -2.426) 23.742 9.024 ( -0.000 3.032 0.000) 3.032 10.284 ( 0.000 -31.968 4.033) 32.221 13.611 ( -0.000 0.934 -4.274) 4.375 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 5.535 4.207 -0.926) 7.014 3.085 ( 0.656 1.259 -1.407) 1.999 3.587 ( -0.860 12.129 -2.364) 12.387 4.643 ( 7.798 14.222 -0.201) 16.221 5.035 ( 0.394 17.622 5.410) 18.438 5.565 ( -6.441 -0.028 0.709) 6.480 5.945 ( 17.366 0.320 1.889) 17.472 7.427 ( 0.497 -1.065 -0.177) 1.189 8.686 ( -7.587 18.820 -4.676) 20.824 9.192 ( 14.307 6.338 -0.183) 15.649 9.972 ( -3.036 -27.612 2.231) 27.868 13.542 ( -7.426 -0.374 -1.653) 7.617 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 9.090 2.994 -0.493) 9.583 3.110 ( 0.967 1.167 0.667) 1.656 3.662 ( -1.809 8.759 -1.292) 9.037 4.923 ( 11.340 8.486 -0.504) 14.173 5.220 ( 0.605 14.861 4.012) 15.405 5.468 ( -3.768 -2.256 1.289) 4.577 6.308 ( 23.978 0.118 1.442) 24.022 7.436 ( 1.828 -1.143 0.548) 2.224 8.658 ( -12.200 13.380 -5.952) 19.060 9.486 ( -0.467 -1.870 0.208) 1.938 9.771 ( 18.869 -11.231 0.488) 21.964 13.339 ( -14.980 -1.472 0.317) 15.055 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 6.016 1.862 -0.178) 6.300 3.155 ( 5.182 0.428 1.132) 5.322 3.685 ( -3.321 5.105 -0.238) 6.095 5.169 ( 10.157 2.096 -0.474) 10.382 5.341 ( 0.764 4.150 0.131) 4.221 5.441 ( 0.154 4.852 4.634) 6.711 6.753 ( 26.709 0.625 -0.020) 26.716 7.470 ( 3.745 -2.350 1.309) 4.611 8.497 ( -16.659 7.854 -6.241) 19.446 9.213 ( -13.086 -10.567 0.664) 16.833 10.315 ( 36.555 5.032 -0.224) 36.901 13.004 ( -22.505 -1.949 1.284) 22.626 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -0.000 3.037 -0.982) 3.192 3.093 ( -0.000 1.853 0.335) 1.883 3.696 ( -0.000 9.585 -1.472) 9.697 4.700 ( -0.000 10.687 -0.483) 10.698 5.226 ( 0.000 17.311 5.382) 18.128 5.679 ( 0.000 -5.883 3.305) 6.748 5.713 ( 0.000 -0.150 0.231) 0.276 7.412 ( 0.000 -1.048 0.156) 1.060 8.923 ( -0.000 15.352 -7.439) 17.059 9.077 ( -0.000 2.082 0.151) 2.087 9.774 ( 0.000 -20.239 1.281) 20.279 13.605 ( 0.000 0.400 0.229) 0.461 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 5.565 1.617 -0.740) 5.842 3.119 ( 0.313 1.865 1.686) 2.534 3.763 ( -1.257 6.659 -0.361) 6.786 4.837 ( 6.424 5.504 -0.713) 8.489 5.393 ( -1.541 15.103 4.958) 15.971 5.501 ( -5.472 -7.888 2.649) 9.959 5.930 ( 18.684 -2.233 1.033) 18.845 7.408 ( 0.587 -0.884 0.371) 1.124 8.917 ( -7.904 8.165 -7.929) 13.856 9.292 ( 19.007 2.786 -1.021) 19.237 9.566 ( -5.540 -13.132 0.815) 14.276 13.546 ( -8.363 1.289 1.702) 8.631 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 9.071 -0.260 -0.629) 9.097 3.146 ( 0.239 1.395 2.011) 2.459 3.780 ( -2.642 3.500 0.470) 4.411 5.006 ( 9.726 0.094 -0.515) 9.740 5.332 ( -2.482 -8.822 0.441) 9.175 5.538 ( -0.429 10.241 6.951) 12.385 6.291 ( 25.125 -1.835 0.134) 25.193 7.417 ( 1.373 -1.048 0.492) 1.796 8.772 ( -12.124 1.502 -8.768) 15.037 9.342 ( -9.962 -4.919 0.723) 11.134 9.745 ( 31.148 1.480 -0.364) 31.185 13.356 ( -16.704 2.675 2.339) 17.078 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -0.000 0.298 -0.736) 0.794 3.142 ( 0.000 1.958 2.352) 3.060 3.828 ( -0.000 3.996 0.515) 4.029 4.811 ( -0.000 0.795 -0.815) 1.139 5.464 ( 0.000 -14.255 5.271) 15.198 5.597 ( 0.000 12.945 4.277) 13.633 5.702 ( 0.000 -0.784 0.052) 0.786 7.397 ( 0.000 -0.575 0.254) 0.629 9.032 ( -0.000 0.785 -11.148) 11.176 9.100 ( 0.000 0.003 0.265) 0.265 9.537 ( 0.000 -3.658 0.798) 3.744 13.648 ( 0.000 3.218 2.705) 4.204 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 5.203 -1.502 -0.780) 5.471 3.166 ( -0.071 1.357 2.205) 2.590 3.842 ( -1.548 0.970 0.899) 2.036 4.846 ( 6.175 -4.230 -0.543) 7.505 5.258 ( -3.321 -17.932 2.283) 18.379 5.674 ( -1.126 7.853 6.300) 10.131 5.916 ( 16.627 2.154 1.291) 16.816 7.397 ( 0.392 -0.309 0.050) 0.502 8.879 ( -7.304 -7.198 -10.210) 14.471 9.261 ( 15.254 -4.013 -0.983) 15.804 9.524 ( -1.553 7.836 0.785) 8.027 13.622 ( -8.753 4.859 2.954) 10.437 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -0.000 -2.928 -1.011) 3.098 3.182 ( 0.000 0.280 1.610) 1.634 3.853 ( 0.000 -2.081 0.501) 2.140 4.722 ( 0.000 -9.227 -0.106) 9.227 5.087 ( 0.000 -23.665 3.250) 23.888 5.686 ( 0.000 -0.867 -0.221) 0.895 5.894 ( 0.000 10.696 8.747) 13.817 7.395 ( -0.000 0.521 -0.421) 0.670 8.804 ( -0.000 -15.954 -11.200) 19.493 9.079 ( 0.000 -2.160 0.193) 2.169 9.654 ( -0.000 14.286 0.120) 14.287 13.761 ( 0.000 6.116 2.851) 6.747 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.000 -0.000 28.314) 28.314 1.089 ( 0.000 -0.000 28.314) 28.314 1.966 ( 0.000 -0.000 51.326) 51.326 2.691 ( -0.000 0.000 -12.843) 12.843 2.691 ( -0.000 0.000 -12.843) 12.843 4.956 ( -0.000 0.000 -24.146) 24.146 5.323 ( 0.000 -0.000 0.705) 0.705 5.323 ( 0.000 -0.000 0.705) 0.705 8.979 ( 0.000 -0.000 1.073) 1.073 8.979 ( 0.000 -0.000 1.073) 1.073 9.505 ( 0.000 -0.000 1.258) 1.258 14.764 ( 0.000 -0.000 0.644) 0.644 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 8.401 4.850 24.432) 26.288 1.445 ( 12.625 7.289 27.213) 30.872 2.288 ( 15.367 8.872 40.838) 44.527 2.764 ( 7.263 4.193 -12.131) 14.748 2.834 ( 18.266 10.546 -16.812) 26.973 4.518 ( -18.759 -10.831 -13.755) 25.660 5.344 ( 1.650 0.952 0.638) 2.009 5.564 ( 14.885 8.594 -0.405) 17.193 8.975 ( -0.808 -0.467 0.969) 1.345 9.040 ( -3.344 -1.931 -9.426) 10.186 10.340 ( 62.479 36.072 -13.710) 73.436 14.445 ( -25.707 -14.842 2.531) 29.791 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 13.999 8.082 17.428) 23.770 1.741 ( 7.754 4.477 24.754) 26.324 2.757 ( 15.037 8.682 17.423) 24.598 2.951 ( 12.342 7.126 -10.474) 17.686 3.426 ( 35.865 20.707 -10.715) 42.778 4.195 ( -5.999 -3.464 -11.239) 13.202 5.399 ( 2.888 1.667 0.512) 3.374 5.950 ( 18.374 10.608 2.211) 21.331 8.845 ( -10.154 -5.862 -8.474) 14.466 8.953 ( -1.251 -0.722 0.717) 1.612 11.609 ( 47.454 27.398 -11.572) 56.004 13.751 ( -32.478 -18.751 -2.809) 37.607 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 13.487 7.787 11.023) 19.080 2.007 ( 10.766 6.216 16.859) 20.947 3.067 ( 9.674 5.585 3.002) 11.567 3.260 ( 17.051 9.844 -7.941) 21.229 4.070 ( 10.383 5.994 -7.179) 13.974 4.359 ( 32.997 19.051 -7.332) 38.801 5.475 ( 3.607 2.082 0.513) 4.196 6.394 ( 19.480 11.247 3.908) 22.831 8.562 ( -11.952 -6.900 -6.689) 15.336 8.930 ( -0.712 -0.411 0.441) 0.933 12.260 ( 0.933 0.539 18.194) 18.226 13.145 ( -7.598 -4.387 -25.841) 27.290 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 10.877 6.280 6.187) 14.001 2.342 ( 14.842 8.569 9.783) 19.734 3.229 ( 5.290 3.054 -3.597) 7.089 3.659 ( 19.264 11.122 -5.423) 22.896 4.287 ( 12.395 7.156 -2.374) 14.508 5.113 ( 30.714 17.733 -8.405) 36.448 5.561 ( 3.666 2.117 0.665) 4.285 6.847 ( 18.755 10.828 5.077) 22.243 8.298 ( -8.721 -5.035 -4.376) 10.980 8.930 ( 0.686 0.396 0.253) 0.831 11.780 ( -34.956 -20.182 14.448) 42.872 13.289 ( 14.606 8.433 -17.274) 24.142 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 8.247 4.761 3.260) 10.065 2.714 ( 14.886 8.594 4.941) 17.885 3.325 ( 5.214 3.010 -4.629) 7.594 4.076 ( 18.007 10.396 -3.414) 21.071 4.601 ( 15.029 8.677 -0.807) 17.373 5.638 ( 17.299 9.988 -9.864) 22.278 5.640 ( 2.934 1.694 0.769) 3.475 7.234 ( 12.286 7.093 4.723) 14.952 8.204 ( 2.812 1.624 -0.378) 3.269 8.964 ( 2.208 1.275 0.139) 2.554 11.004 ( -34.597 -19.974 6.846) 40.531 13.510 ( 7.738 4.467 -7.626) 11.746 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 5.714 3.299 1.731) 6.822 2.997 ( 8.447 4.877 0.468) 9.765 3.474 ( 9.104 5.256 -2.233) 10.747 4.438 ( 14.106 8.144 -1.568) 16.363 4.951 ( 15.846 9.149 -1.377) 18.349 5.694 ( 1.539 0.888 0.623) 1.883 5.844 ( 3.974 2.294 -9.754) 10.780 7.398 ( 2.331 1.346 1.699) 3.183 8.432 ( 14.249 8.226 5.615) 17.385 9.024 ( 2.815 1.625 -0.007) 3.250 10.292 ( -28.466 -16.435 3.386) 33.043 13.606 ( 2.788 1.610 -3.988) 5.125 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 3.065 1.769 1.018) 3.682 3.117 ( 3.337 1.927 -2.092) 4.385 3.688 ( 8.752 5.053 -0.540) 10.120 4.694 ( 8.343 4.817 0.097) 9.634 5.308 ( 15.918 9.190 -3.017) 18.626 5.713 ( 0.035 0.020 0.234) 0.238 5.784 ( -6.478 -3.740 -7.837) 10.834 7.414 ( -0.309 -0.178 -0.076) 0.365 8.762 ( 10.768 6.217 9.456) 15.621 9.080 ( 1.931 1.115 -0.197) 2.239 9.770 ( -17.265 -9.968 1.540) 19.995 13.637 ( 1.411 0.815 -3.019) 3.431 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 0.280 0.162 0.806) 0.868 3.165 ( 1.699 0.981 -2.394) 3.095 3.832 ( 3.737 2.158 -0.385) 4.332 4.803 ( 0.734 0.424 0.871) 1.215 5.514 ( -15.111 -8.724 -5.375) 18.258 5.642 ( 14.165 8.178 -5.493) 17.255 5.703 ( -0.724 -0.418 -0.044) 0.837 7.400 ( -0.625 -0.361 -0.412) 0.831 8.926 ( -0.021 -0.012 11.788) 11.788 9.103 ( 0.002 0.001 -0.289) 0.289 9.541 ( -2.728 -1.575 -0.159) 3.154 13.674 ( 2.977 1.719 -2.883) 4.486 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 0.000 17.531 23.628) 29.421 1.489 ( 0.000 16.479 24.720) 29.710 2.384 ( 0.000 10.991 42.794) 44.183 2.598 ( -0.000 2.509 -15.254) 15.459 2.892 ( -0.000 24.285 -15.130) 28.612 4.482 ( -0.000 -20.295 -16.597) 26.217 5.346 ( 0.000 1.953 0.592) 2.041 5.541 ( -0.000 16.046 -0.071) 16.046 8.970 ( 0.000 -1.270 1.015) 1.626 9.006 ( -0.000 -5.077 -8.178) 9.626 10.294 ( -0.000 66.799 -10.036) 67.549 14.473 ( 0.000 -26.432 1.338) 26.465 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.797 19.935 18.844) 27.443 1.800 ( 4.264 11.706 24.008) 27.048 2.684 ( 9.374 7.582 7.889) 14.408 2.756 ( 14.080 9.745 3.972) 17.578 3.234 ( 14.049 32.854 -12.016) 37.698 4.199 ( -5.475 -9.766 -13.789) 17.762 5.395 ( 1.960 3.636 0.493) 4.160 5.819 ( 11.326 16.671 1.332) 20.199 8.866 ( -4.645 -9.859 -7.735) 13.364 8.960 ( -0.197 -1.275 0.672) 1.455 11.217 ( 32.843 50.432 -11.202) 61.217 13.998 ( -21.000 -28.084 -1.441) 35.097 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 4.877 17.926 12.761) 22.538 2.024 ( 3.704 9.904 19.179) 21.901 2.955 ( 11.487 6.871 0.807) 13.409 3.101 ( 12.986 13.346 -4.278) 19.107 3.864 ( 21.389 19.704 -7.260) 29.974 4.139 ( 9.797 11.480 -8.590) 17.365 5.482 ( 2.211 6.598 0.494) 6.976 6.219 ( 15.828 14.947 2.818) 21.952 8.625 ( -8.165 -11.190 -6.529) 15.314 8.947 ( -0.667 0.016 0.450) 0.805 12.093 ( 25.481 18.323 5.345) 31.837 13.314 ( -25.118 -17.328 -13.936) 33.547 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 5.308 13.759 8.154) 16.851 2.282 ( 8.421 12.224 12.163) 19.191 3.150 ( 6.023 3.063 -2.779) 7.306 3.488 ( 16.130 17.840 -6.699) 24.966 4.140 ( 11.339 6.303 -3.587) 13.460 4.754 ( 28.547 21.795 -6.567) 36.511 5.604 ( 1.652 11.400 0.447) 11.528 6.654 ( 17.790 12.379 4.074) 22.053 8.356 ( -8.114 -9.720 -4.900) 13.577 8.949 ( -0.385 2.471 0.281) 2.517 12.122 ( -23.063 -25.384 18.848) 39.135 13.094 ( 10.363 12.744 -22.615) 27.950 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 4.746 11.049 4.525) 12.848 2.611 ( 11.419 12.697 7.733) 18.746 3.244 ( 5.037 1.505 -5.331) 7.487 3.928 ( 15.304 18.953 -4.358) 24.747 4.431 ( 14.163 8.685 -1.226) 16.659 5.305 ( 20.362 6.315 -6.468) 22.279 5.773 ( 0.801 18.589 -1.066) 18.637 7.077 ( 16.571 9.066 5.068) 19.557 8.173 ( -1.679 -4.884 -2.637) 5.799 8.989 ( 0.191 5.961 0.244) 5.969 11.386 ( -32.785 -25.298 7.497) 42.084 13.357 ( 11.400 5.023 -8.634) 15.157 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 3.224 9.217 2.352) 10.044 2.920 ( 8.600 8.763 3.604) 12.796 3.359 ( 8.359 3.396 -3.573) 9.704 4.333 ( 12.079 16.969 -2.343) 20.960 4.767 ( 15.202 8.965 -1.391) 17.703 5.550 ( 9.878 -2.242 -4.431) 11.056 5.946 ( -2.491 17.887 -3.923) 18.481 7.359 ( 6.360 3.387 3.240) 7.901 8.253 ( 12.920 2.241 2.216) 13.299 9.073 ( 0.047 10.203 0.292) 10.207 10.624 ( -30.573 -21.184 3.169) 37.329 13.505 ( 6.788 -2.078 -3.646) 7.981 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 1.134 7.529 1.278) 7.720 3.078 ( 3.447 3.325 -0.786) 4.854 3.570 ( 10.538 5.072 -0.454) 11.704 4.646 ( 7.470 13.105 -0.523) 15.094 5.111 ( 15.588 8.343 -2.433) 17.847 5.613 ( 3.509 -4.896 -4.137) 7.307 5.994 ( -8.681 14.125 -3.564) 16.958 7.421 ( -0.049 0.720 0.480) 0.866 8.576 ( 17.126 1.958 6.959) 18.589 9.186 ( -1.810 14.853 0.515) 14.972 9.981 ( -22.785 -16.393 1.255) 28.098 13.549 ( 4.735 -5.704 -2.382) 7.787 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( -1.322 5.738 0.822) 5.946 3.137 ( 1.887 1.384 -2.210) 3.219 3.762 ( 6.864 2.509 -0.135) 7.309 4.831 ( 1.353 8.287 0.639) 8.421 5.429 ( 13.355 3.685 -2.660) 14.107 5.542 ( -2.714 -6.257 -6.104) 9.152 5.940 ( -11.974 14.582 -1.170) 18.905 7.412 ( -1.059 0.160 -0.451) 1.162 8.837 ( 10.092 -3.090 9.321) 14.081 9.284 ( -7.167 17.893 0.752) 19.290 9.569 ( -8.475 -11.106 0.133) 13.971 13.566 ( 5.804 -6.391 -2.552) 9.002 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 18.328 17.621) 25.425 1.966 ( 0.000 16.331 18.276) 24.509 2.634 ( -0.000 11.760 -13.898) 18.206 2.829 ( 0.000 11.974 22.944) 25.880 3.429 ( -0.000 35.874 -11.789) 37.762 4.109 ( -0.000 -6.232 -12.840) 14.272 5.404 ( -0.000 3.542 0.377) 3.562 5.931 ( -0.000 22.515 2.068) 22.609 8.771 ( -0.000 -12.719 -6.638) 14.347 8.947 ( 0.000 -1.509 0.825) 1.720 11.437 ( -0.000 48.761 -4.763) 48.993 13.870 ( 0.000 -30.382 -6.188) 31.006 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -0.216 18.980 11.532) 22.209 2.156 ( 0.398 11.378 13.941) 17.999 2.851 ( 10.322 15.661 -5.840) 19.645 3.052 ( 6.975 10.558 5.889) 13.957 3.784 ( 8.436 18.587 -8.993) 22.305 4.137 ( 4.968 20.000 -6.995) 21.763 5.487 ( 4.397 5.401 0.341) 6.972 6.221 ( 6.028 22.331 2.591) 23.275 8.584 ( -3.906 -13.913 -5.261) 15.379 8.944 ( 0.737 -0.637 0.542) 1.115 11.959 ( 14.310 21.356 8.102) 26.953 13.437 ( -14.579 -19.344 -15.924) 28.988 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 2.459 11.338 8.832) 14.581 2.365 ( 2.516 17.756 7.403) 19.401 3.086 ( 4.498 4.826 -1.649) 6.800 3.389 ( 15.749 20.410 -6.058) 26.482 4.018 ( 9.667 8.443 -1.943) 12.981 4.597 ( 15.866 28.626 -5.576) 33.200 5.662 ( 6.465 11.239 0.393) 12.971 6.567 ( 9.679 18.482 2.855) 21.058 8.351 ( -5.765 -12.582 -3.860) 14.368 8.968 ( 1.349 2.161 0.290) 2.565 12.146 ( -3.288 -24.284 20.965) 32.250 13.106 ( -4.946 11.233 -25.026) 27.874 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 3.649 11.716 5.406) 13.409 2.626 ( 6.059 16.729 5.476) 18.616 3.160 ( 3.816 0.787 -5.362) 6.629 3.872 ( 15.437 23.827 -4.209) 28.700 4.298 ( 11.866 10.576 0.535) 15.904 5.069 ( 15.293 13.715 -5.307) 21.217 5.925 ( 5.456 19.798 -0.478) 20.541 6.927 ( 13.051 13.011 3.644) 18.785 8.146 ( -3.767 -8.554 -2.589) 9.699 9.041 ( 2.032 6.850 0.273) 7.150 11.621 ( -23.277 -31.928 9.311) 40.595 13.226 ( 6.734 8.834 -10.881) 15.550 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 2.371 11.672 2.556) 12.181 2.909 ( 6.415 12.585 5.005) 14.986 3.238 ( 7.064 1.785 -5.132) 8.911 4.327 ( 11.633 22.686 -2.572) 25.624 4.617 ( 12.881 10.642 -0.079) 16.708 5.352 ( 10.783 2.696 -4.509) 11.995 6.178 ( -0.860 21.944 -2.215) 22.072 7.265 ( 11.372 7.320 4.147) 14.145 8.087 ( 5.662 -2.838 -0.582) 6.361 9.176 ( 2.273 12.530 0.485) 12.744 10.909 ( -27.493 -25.615 3.040) 37.699 13.348 ( 6.127 -2.455 -3.731) 7.581 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 0.426 10.867 1.208) 10.943 3.069 ( 2.022 4.660 0.719) 5.130 3.432 ( 11.222 5.402 -0.851) 12.484 4.686 ( 6.749 19.078 -0.950) 20.259 4.942 ( 13.550 9.705 -1.455) 16.731 5.482 ( 6.007 -2.160 -4.083) 7.578 6.302 ( -7.671 20.227 -2.494) 21.776 7.430 ( 1.627 2.952 1.424) 3.659 8.294 ( 17.648 -0.545 3.909) 18.084 9.356 ( 1.396 16.108 0.984) 16.198 10.240 ( -25.780 -16.815 0.391) 30.781 13.372 ( 5.267 -9.886 -1.576) 11.312 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -2.007 9.532 0.703) 9.766 3.120 ( 1.107 1.829 -1.429) 2.572 3.654 ( 8.839 3.093 0.400) 9.373 4.920 ( 1.473 14.010 0.215) 14.089 5.250 ( 12.710 7.087 -2.326) 14.737 5.493 ( 0.624 -4.032 -4.285) 5.917 6.321 ( -12.240 20.228 -1.389) 23.684 7.441 ( -1.781 1.373 -0.484) 2.301 8.598 ( 16.491 -4.054 7.070) 18.395 9.481 ( -1.106 -0.404 1.268) 1.730 9.777 ( -19.507 9.851 -0.682) 21.864 13.348 ( 6.827 -13.392 -1.629) 15.119 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.000 8.517 4.368) 9.572 2.348 ( 0.000 18.182 9.058) 20.313 2.947 ( -0.000 24.377 -2.777) 24.535 3.088 ( 0.000 5.162 2.623) 5.790 3.835 ( -0.000 11.087 -4.837) 12.096 4.353 ( -0.000 34.850 -4.995) 35.207 5.486 ( -0.000 4.419 0.183) 4.423 6.430 ( -0.000 26.153 2.368) 26.260 8.460 ( 0.000 -14.740 -3.523) 15.156 8.928 ( 0.000 -0.665 0.508) 0.837 12.020 ( 0.000 1.871 17.231) 17.332 13.353 ( -0.000 -7.187 -23.173) 24.262 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 2.440 7.956 1.922) 8.541 2.549 ( 0.076 18.868 3.484) 19.187 3.094 ( -0.393 3.786 -2.197) 4.395 3.332 ( 12.934 23.370 -2.172) 26.799 3.993 ( 5.052 12.879 1.998) 13.978 4.725 ( 4.099 32.648 -4.432) 33.202 5.609 ( 8.522 6.737 0.263) 10.866 6.708 ( 1.460 25.267 1.467) 25.352 8.287 ( -2.787 -12.982 -1.863) 13.408 8.949 ( 2.428 1.042 0.285) 2.658 11.969 ( -0.059 -28.235 19.789) 34.480 13.245 ( -5.124 12.092 -23.377) 26.813 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 5.533 8.813 2.679) 10.745 2.754 ( 1.757 19.027 -0.097) 19.108 3.108 ( 1.231 0.483 -3.968) 4.183 3.828 ( 16.379 25.010 -1.758) 29.948 4.252 ( 8.083 13.854 3.634) 16.446 5.050 ( 4.631 19.438 -3.899) 20.359 5.914 ( 14.618 13.178 0.367) 19.684 6.972 ( 2.367 20.744 0.657) 20.889 8.118 ( -3.544 -8.386 -0.785) 9.137 9.042 ( 4.949 5.261 0.202) 7.226 11.589 ( -10.089 -37.318 10.946) 40.177 13.261 ( -2.290 11.840 -12.660) 17.484 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 5.478 9.676 2.318) 11.358 2.984 ( 3.338 16.774 1.848) 17.203 3.134 ( 3.934 0.384 -5.093) 6.446 4.332 ( 14.293 23.539 -1.633) 27.587 4.548 ( 9.512 13.406 2.359) 16.606 5.250 ( 4.873 7.874 -3.179) 9.791 6.301 ( 11.062 16.979 -0.341) 20.268 7.211 ( 5.793 13.896 1.397) 15.120 8.016 ( -1.130 -2.986 -0.534) 3.237 9.222 ( 6.351 11.085 0.385) 12.781 11.025 ( -17.026 -31.793 3.924) 36.278 13.275 ( -0.933 0.934 -4.724) 4.905 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( 2.886 10.101 0.907) 10.544 3.109 ( -0.520 4.709 0.973) 4.837 3.303 ( 10.297 7.978 -1.677) 13.134 4.751 ( 9.564 20.599 -0.971) 22.732 4.846 ( 9.819 12.423 0.343) 15.838 5.364 ( 4.714 0.880 -2.593) 5.451 6.574 ( 0.507 18.724 -1.385) 18.782 7.433 ( 4.815 8.190 1.844) 9.677 8.047 ( 8.419 -1.585 0.784) 8.603 9.446 ( 4.285 11.579 0.836) 12.375 10.468 ( -18.072 -17.345 0.374) 25.052 13.213 ( -0.048 -9.519 -1.301) 9.608 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 0.269 8.637 0.313) 8.647 3.138 ( -0.744 3.952 -0.661) 4.075 3.535 ( 9.091 4.169 0.638) 10.022 5.042 ( 2.645 16.656 0.077) 16.865 5.128 ( 10.458 9.949 -1.458) 14.508 5.417 ( 3.196 -2.214 -2.313) 4.524 6.704 ( -7.127 21.276 -1.120) 22.466 7.507 ( -2.983 4.875 -0.603) 5.747 8.264 ( 17.794 -5.379 4.328) 19.087 9.462 ( -4.916 -11.591 0.657) 12.608 10.214 ( -10.795 19.606 -0.497) 22.387 13.096 ( 2.955 -17.324 -0.642) 17.586 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -0.000 7.024 -1.978) 7.298 2.737 ( -0.000 18.840 -2.418) 18.995 3.107 ( -0.000 0.119 -3.861) 3.863 3.468 ( -0.000 26.752 2.320) 26.853 4.109 ( 0.000 16.153 5.541) 17.077 5.011 ( -0.000 30.828 -2.882) 30.963 5.575 ( -0.000 4.350 0.067) 4.351 6.963 ( -0.000 26.052 -0.443) 26.056 8.192 ( 0.000 -9.847 0.274) 9.850 8.932 ( -0.000 0.936 0.163) 0.950 11.710 ( 0.000 -36.283 15.768) 39.561 13.357 ( -0.000 14.243 -18.395) 23.264 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 4.556 7.261 -1.420) 8.689 2.904 ( 0.926 17.266 -9.003) 19.495 3.105 ( -0.418 1.951 1.362) 2.416 3.832 ( 10.822 25.134 1.481) 27.405 4.323 ( 3.272 16.819 6.052) 18.172 5.235 ( -3.193 19.980 -1.782) 20.312 5.754 ( 14.141 7.644 0.513) 16.083 7.185 ( -1.130 20.935 -2.274) 21.088 8.112 ( -2.311 -2.303 1.415) 3.556 8.992 ( 5.104 3.242 0.071) 6.047 11.346 ( -3.292 -39.480 9.657) 40.777 13.405 ( -4.034 11.162 -11.213) 16.328 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 7.759 7.485 0.150) 10.782 3.049 ( 3.997 7.647 -9.656) 12.950 3.152 ( -1.397 10.687 3.960) 11.482 4.299 ( 14.956 22.231 0.235) 26.795 4.575 ( 5.268 15.860 4.442) 17.292 5.321 ( -2.557 10.233 -1.264) 10.623 6.146 ( 19.672 9.086 1.381) 21.713 7.325 ( -0.591 13.068 -2.294) 13.281 8.076 ( -4.682 5.957 0.527) 7.595 9.179 ( 9.828 8.420 0.130) 12.942 10.896 ( -7.125 -36.701 4.412) 37.645 13.362 ( -6.923 3.938 -5.115) 9.466 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 7.211 7.531 0.364) 10.433 3.119 ( 2.745 0.549 -1.232) 3.059 3.299 ( 2.148 14.378 -1.054) 14.575 4.748 ( 13.220 18.762 -0.244) 22.953 4.838 ( 7.026 14.189 2.155) 15.980 5.355 ( -1.285 4.241 -0.629) 4.475 6.562 ( 16.808 9.472 1.110) 19.325 7.443 ( 3.836 7.754 -0.478) 8.664 8.055 ( -6.011 7.848 -0.999) 9.936 9.449 ( 7.869 9.690 0.209) 12.484 10.464 ( -5.533 -24.621 1.171) 25.262 13.214 ( -8.701 -4.767 -1.440) 10.025 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 2.634 4.562 -0.000) 5.267 3.185 ( 2.829 4.899 -0.000) 5.657 3.465 ( 4.289 7.430 -0.000) 8.579 5.083 ( 7.528 13.038 -0.000) 15.055 5.120 ( 8.450 14.636 -0.000) 16.900 5.361 ( -0.098 -0.170 -0.000) 0.197 6.886 ( 7.709 13.352 -0.000) 15.417 7.596 ( 3.833 6.640 -0.000) 7.667 8.034 ( 0.331 0.573 -0.000) 0.661 9.446 ( -7.537 -13.055 -0.000) 15.074 10.420 ( 7.716 13.365 -0.000) 15.432 12.970 ( -8.190 -14.185 -0.000) 16.380 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -0.000 6.752 -2.556) 7.220 2.985 ( -0.000 8.887 -13.760) 16.380 3.184 ( 0.000 10.227 5.210) 11.478 3.987 ( -0.000 23.809 2.280) 23.918 4.491 ( 0.000 18.065 6.659) 19.253 5.482 ( -0.000 17.297 0.853) 17.318 5.652 ( -0.000 3.297 0.006) 3.297 7.352 ( -0.000 11.862 -3.524) 12.374 8.175 ( -0.000 9.912 1.614) 10.043 8.967 ( -0.000 2.498 -0.040) 2.499 11.008 ( 0.000 -39.172 6.526) 39.712 13.512 ( -0.000 8.192 -7.667) 11.220 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 5.533 6.333 -1.625) 8.565 3.029 ( 1.656 4.384 -7.411) 8.768 3.309 ( -0.882 13.968 1.270) 14.053 4.298 ( 9.231 20.617 1.255) 22.624 4.702 ( 1.492 17.723 5.497) 18.616 5.496 ( -6.932 7.676 0.897) 10.382 5.897 ( 16.972 5.364 1.746) 17.885 7.411 ( -0.331 4.264 -2.477) 4.942 8.283 ( -4.676 17.665 -0.947) 18.298 9.076 ( 9.032 5.227 -0.036) 10.435 10.622 ( -2.883 -36.712 3.348) 36.977 13.506 ( -5.739 3.979 -3.830) 7.965 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 8.878 5.638 -0.629) 10.536 3.081 ( 2.179 2.058 -1.726) 3.459 3.432 ( -0.781 13.595 -0.892) 13.647 4.681 ( 13.336 15.923 0.263) 20.772 4.919 ( 2.517 16.384 3.539) 16.950 5.457 ( -4.749 3.800 1.396) 6.241 6.280 ( 21.693 3.618 2.194) 22.102 7.440 ( 1.562 1.677 -0.903) 2.463 8.328 ( -9.693 16.974 -3.370) 19.836 9.362 ( 13.522 9.576 -0.330) 16.573 10.236 ( -1.769 -30.897 1.309) 30.975 13.369 ( -11.421 -0.782 -0.908) 11.483 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -0.000 5.527 -1.812) 5.816 3.038 ( -0.000 3.892 -3.823) 5.455 3.454 ( -0.000 13.584 -0.420) 13.590 4.413 ( -0.000 18.035 0.982) 18.062 4.887 ( -0.000 18.257 5.279) 19.005 5.700 ( -0.000 1.571 -0.025) 1.571 5.710 ( 0.000 4.507 4.465) 6.345 7.425 ( -0.000 0.296 -1.285) 1.319 8.523 ( -0.000 21.417 -3.961) 21.781 9.024 ( -0.000 3.088 0.003) 3.088 10.310 ( 0.000 -32.930 1.629) 32.970 13.583 ( -0.000 2.477 -1.640) 2.971 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 5.787 4.439 -1.190) 7.390 3.076 ( 0.950 3.011 -0.353) 3.177 3.572 ( -0.852 12.084 -0.873) 12.146 4.643 ( 7.679 13.692 0.179) 15.700 5.080 ( -0.011 17.506 4.215) 18.007 5.581 ( -6.613 0.237 2.731) 7.158 5.966 ( 17.291 0.070 2.592) 17.484 7.425 ( 0.590 -0.428 -0.310) 0.792 8.637 ( -7.298 17.382 -6.107) 19.817 9.190 ( 14.151 6.080 -0.385) 15.406 9.985 ( -3.056 -28.032 0.446) 28.202 13.536 ( -7.321 0.744 0.404) 7.370 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -0.000 3.295 -1.082) 3.468 3.101 ( 0.000 3.031 1.361) 3.323 3.688 ( -0.000 10.043 -0.440) 10.053 4.696 ( -0.000 10.214 -0.311) 10.219 5.272 ( -0.000 17.717 4.601) 18.305 5.714 ( 0.000 -0.092 -0.004) 0.092 5.721 ( 0.000 -6.604 5.750) 8.757 7.413 ( 0.000 -0.749 0.138) 0.762 8.847 ( -0.000 13.862 -8.875) 16.460 9.079 ( -0.000 2.152 0.189) 2.161 9.779 ( 0.000 -20.296 -0.297) 20.298 13.615 ( 0.000 1.307 1.778) 2.207 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.000 -0.000 27.178) 27.178 1.344 ( 0.000 -0.000 27.178) 27.178 2.428 ( 0.000 -0.000 49.333) 49.333 2.561 ( -0.000 0.000 -15.585) 15.585 2.561 ( -0.000 0.000 -15.585) 15.585 4.711 ( -0.000 0.000 -29.051) 29.051 5.329 ( 0.000 -0.000 0.640) 0.640 5.329 ( 0.000 -0.000 0.640) 0.640 8.989 ( 0.000 -0.000 0.989) 0.989 8.989 ( 0.000 -0.000 0.989) 0.989 9.516 ( 0.000 -0.000 1.136) 1.136 14.770 ( 0.000 -0.000 0.593) 0.593 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 6.108 3.527 24.502) 25.497 1.688 ( 12.870 7.430 25.757) 29.736 2.633 ( 7.912 4.568 11.963) 15.053 2.640 ( 8.124 4.691 -14.860) 17.574 2.705 ( 18.416 10.632 10.776) 23.839 4.359 ( -15.248 -8.803 -20.715) 27.186 5.350 ( 1.609 0.929 0.543) 1.936 5.556 ( 15.758 9.098 -1.119) 18.230 8.968 ( -4.497 -2.596 -6.238) 8.116 8.983 ( -0.878 -0.507 0.779) 1.279 10.251 ( 55.654 32.132 -6.544) 64.596 14.463 ( -25.363 -14.644 1.626) 29.332 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 11.114 6.417 18.503) 22.518 1.963 ( 5.791 3.343 23.041) 23.992 2.844 ( 13.662 7.888 -12.763) 20.292 2.873 ( 9.745 5.626 6.485) 12.988 3.376 ( 35.669 20.593 1.656) 41.220 4.073 ( -3.884 -2.243 -15.282) 15.926 5.403 ( 2.870 1.657 0.436) 3.342 5.964 ( 19.431 11.218 0.832) 22.452 8.775 ( -9.948 -5.744 -6.543) 13.220 8.958 ( -1.336 -0.771 0.492) 1.619 11.519 ( 52.124 30.094 -8.214) 60.746 13.736 ( -36.459 -21.050 -0.615) 42.104 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 10.955 6.325 11.861) 17.341 2.167 ( 7.846 4.530 17.505) 19.711 3.076 ( 6.826 3.941 -0.834) 7.926 3.180 ( 18.505 10.684 -9.368) 23.331 4.008 ( 10.870 6.276 -6.421) 14.099 4.301 ( 33.943 19.597 -5.101) 39.525 5.480 ( 3.653 2.109 0.464) 4.244 6.424 ( 20.274 11.705 2.668) 23.562 8.506 ( -11.457 -6.615 -5.465) 14.314 8.933 ( -0.771 -0.445 0.267) 0.930 12.419 ( 17.248 9.958 15.276) 25.100 12.928 ( -22.144 -12.785 -20.189) 32.580 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 9.200 5.311 6.670) 12.543 2.446 ( 12.403 7.161 12.594) 19.071 3.187 ( 4.438 2.562 -5.182) 7.288 3.606 ( 20.389 11.772 -6.111) 24.324 4.258 ( 13.664 7.889 -3.889) 16.250 5.048 ( 29.642 17.114 -5.768) 34.710 5.567 ( 3.731 2.154 0.577) 4.347 6.891 ( 19.341 11.167 4.344) 22.752 8.259 ( -7.840 -4.526 -4.035) 9.911 8.932 ( 0.659 0.381 0.171) 0.780 11.885 ( -38.507 -22.232 7.590) 45.107 13.164 ( 19.133 11.046 -9.087) 23.888 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 7.317 4.224 3.572) 9.172 2.776 ( 12.528 7.233 8.467) 16.762 3.280 ( 5.949 3.434 -5.100) 8.555 4.044 ( 18.882 10.902 -3.566) 22.093 4.583 ( 15.358 8.867 -3.060) 17.996 5.558 ( 16.575 9.570 -7.315) 20.490 5.646 ( 2.937 1.696 0.576) 3.440 7.277 ( 11.457 6.615 4.538) 13.986 8.198 ( 5.092 2.940 -0.878) 5.945 8.965 ( 2.172 1.254 0.123) 2.511 11.048 ( -35.561 -20.531 2.588) 41.144 13.462 ( 8.914 5.147 -2.682) 10.637 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 5.237 3.024 1.919) 6.345 3.010 ( 6.156 3.554 2.354) 7.488 3.458 ( 10.328 5.963 -1.177) 11.983 4.424 ( 14.866 8.583 -1.378) 17.221 4.928 ( 15.741 9.088 -3.515) 18.512 5.698 ( 1.449 0.837 0.347) 1.709 5.764 ( 4.053 2.340 -7.420) 8.773 7.413 ( 1.270 0.734 1.492) 2.093 8.481 ( 16.420 9.480 5.021) 19.614 9.024 ( 2.741 1.582 -0.006) 3.165 10.313 ( -28.821 -16.640 1.042) 33.296 13.582 ( 2.852 1.647 -1.296) 3.539 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.000 14.867 23.737) 28.008 1.713 ( 0.000 14.542 24.016) 28.075 2.447 ( -0.000 2.744 -17.481) 17.695 2.717 ( -0.000 14.339 -1.493) 14.417 2.799 ( 0.000 15.195 25.814) 29.954 4.299 ( -0.000 -15.930 -23.075) 28.040 5.351 ( -0.000 1.892 0.483) 1.953 5.538 ( -0.000 17.026 -0.424) 17.031 8.945 ( -0.000 -6.503 -5.024) 8.217 8.979 ( 0.000 -1.298 0.900) 1.579 10.230 ( -0.000 61.032 -4.744) 61.216 14.482 ( 0.000 -27.054 0.692) 27.063 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -0.463 16.624 19.325) 25.496 2.007 ( 4.562 9.141 20.607) 23.001 2.589 ( 14.907 7.014 -13.924) 21.571 2.884 ( 3.486 11.340 4.368) 12.643 3.194 ( 16.090 27.954 8.361) 33.320 4.052 ( -3.958 -6.804 -18.133) 19.768 5.399 ( 1.978 3.589 0.374) 4.115 5.826 ( 11.551 17.860 0.419) 21.274 8.806 ( -4.834 -9.766 -5.284) 12.110 8.966 ( -0.341 -1.291 0.580) 1.456 11.138 ( 32.915 52.985 -6.374) 62.701 13.987 ( -21.425 -31.599 -0.861) 38.187 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 3.346 14.652 12.904) 19.809 2.188 ( 3.242 6.874 15.799) 17.532 2.928 ( 15.628 10.021 -5.168) 19.271 3.067 ( 6.316 10.354 -4.039) 12.784 3.828 ( 19.125 15.402 -0.895) 24.572 4.056 ( 13.502 16.866 -9.285) 23.516 5.486 ( 2.247 6.614 0.380) 6.995 6.239 ( 16.338 15.637 1.565) 22.669 8.573 ( -8.163 -10.701 -4.607) 14.226 8.950 ( -0.742 -0.014 0.264) 0.788 12.129 ( 32.302 29.312 2.270) 43.678 13.215 ( -30.798 -27.288 -7.392) 41.807 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 4.270 11.980 7.236) 14.632 2.400 ( 7.617 9.251 12.807) 17.538 3.118 ( 4.428 2.078 -3.900) 6.256 3.423 ( 17.069 19.153 -7.083) 26.615 4.106 ( 11.850 8.370 -3.993) 15.047 4.706 ( 27.998 21.205 -3.666) 35.312 5.608 ( 1.602 11.225 0.325) 11.343 6.686 ( 18.549 12.779 2.894) 22.709 8.316 ( -7.951 -9.116 -3.720) 12.655 8.951 ( -0.401 2.476 0.134) 2.512 12.267 ( -30.903 -29.739 10.741) 44.213 12.923 ( 19.199 17.779 -12.672) 29.073 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 4.005 10.041 3.930) 11.502 2.697 ( 10.443 10.577 10.740) 18.338 3.192 ( 5.102 1.528 -5.817) 7.886 3.888 ( 15.996 19.842 -4.163) 25.825 4.411 ( 14.021 9.816 -3.151) 17.403 5.256 ( 20.199 6.783 -4.042) 21.688 5.765 ( 0.081 17.461 -0.702) 17.476 7.121 ( 16.927 9.107 4.439) 19.727 8.149 ( -0.777 -4.020 -2.522) 4.809 8.991 ( 0.188 6.019 0.140) 6.024 11.429 ( -34.235 -25.674 1.563) 42.821 13.309 ( 13.281 5.516 -1.767) 14.489 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 2.839 8.639 2.127) 9.339 2.965 ( 6.120 6.517 6.096) 10.821 3.329 ( 10.078 4.489 -2.890) 11.405 4.313 ( 12.733 17.602 -1.976) 21.815 4.744 ( 14.858 9.576 -3.601) 18.039 5.514 ( 10.330 -2.399 -3.078) 11.042 5.917 ( -3.405 17.822 -2.612) 18.331 7.387 ( 5.040 2.636 2.894) 6.381 8.271 ( 15.419 3.509 1.689) 15.903 9.075 ( 0.010 10.376 0.169) 10.377 10.638 ( -30.824 -21.363 -0.075) 37.503 13.488 ( 6.982 -2.179 0.107) 7.314 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 0.000 14.927 16.230) 22.050 2.115 ( 0.000 10.889 13.026) 16.978 2.516 ( -0.000 16.203 -10.531) 19.324 2.976 ( 0.000 8.792 5.649) 10.450 3.380 ( -0.000 31.644 4.296) 31.935 3.977 ( -0.000 -1.024 -15.826) 15.859 5.407 ( -0.000 3.473 0.240) 3.481 5.947 ( -0.000 23.394 1.328) 23.432 8.722 ( -0.000 -12.410 -3.949) 13.023 8.954 ( 0.000 -1.593 0.685) 1.734 11.407 ( -0.000 54.723 -1.717) 54.750 13.819 ( 0.000 -36.320 -4.848) 36.642 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -0.408 12.783 7.963) 15.066 2.255 ( 1.617 9.361 7.453) 12.074 2.813 ( 11.891 20.378 -1.256) 23.627 3.071 ( 2.221 5.905 -1.954) 6.604 3.746 ( 8.844 16.498 0.995) 18.746 4.068 ( 5.955 25.168 -7.874) 27.035 5.490 ( 4.469 5.377 0.174) 6.994 6.239 ( 6.045 22.732 1.490) 23.569 8.547 ( -4.056 -13.278 -2.864) 14.176 8.948 ( 0.617 -0.699 0.398) 1.014 12.033 ( 16.430 32.862 7.704) 37.539 13.306 ( -16.132 -29.856 -12.331) 36.106 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 2.906 10.190 4.252) 11.418 2.430 ( 3.760 13.009 5.862) 14.756 3.072 ( 2.370 2.743 -1.092) 3.786 3.335 ( 15.734 22.965 -5.141) 28.308 4.010 ( 9.234 10.956 -0.179) 14.329 4.557 ( 15.926 28.490 -3.071) 32.783 5.665 ( 6.450 11.200 0.213) 12.926 6.587 ( 10.129 18.453 1.430) 21.099 8.324 ( -6.008 -11.810 -2.037) 13.406 8.970 ( 1.300 2.155 0.147) 2.521 12.337 ( -7.037 -29.669 19.937) 36.432 12.886 ( -0.475 17.319 -22.031) 28.028 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 3.070 11.128 2.486) 11.808 2.684 ( 8.192 13.535 6.591) 17.139 3.114 ( 2.908 0.532 -4.189) 5.127 3.839 ( 15.371 25.042 -2.841) 29.520 4.297 ( 10.896 12.218 -0.923) 16.397 5.034 ( 15.105 13.691 -2.291) 20.515 5.921 ( 4.879 19.431 -0.415) 20.039 6.955 ( 14.134 12.809 2.358) 19.220 8.127 ( -3.948 -7.809 -1.639) 8.902 9.043 ( 2.061 6.917 0.105) 7.219 11.678 ( -26.264 -32.586 2.570) 41.932 13.160 ( 10.163 9.648 -3.039) 14.339 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 2.170 11.142 1.153) 11.410 2.968 ( 5.786 10.105 7.796) 14.013 3.192 ( 8.229 2.589 -4.706) 9.827 4.307 ( 11.867 23.373 -1.592) 26.261 4.606 ( 11.970 11.663 -2.352) 16.877 5.323 ( 10.572 2.744 -1.721) 11.057 6.160 ( -1.466 21.761 -1.775) 21.882 7.299 ( 11.342 6.718 3.304) 13.590 8.082 ( 6.808 -1.930 -0.569) 7.099 9.179 ( 2.338 12.716 0.175) 12.930 10.920 ( -28.265 -25.579 -0.763) 38.128 13.334 ( 6.955 -2.740 0.786) 7.516 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -0.000 6.441 -3.028) 7.117 2.412 ( -0.000 14.133 4.041) 14.700 2.951 ( -0.000 26.081 3.621) 26.332 3.081 ( -0.000 1.759 -3.036) 3.509 3.830 ( -0.000 13.718 3.277) 14.103 4.310 ( -0.000 36.409 -4.337) 36.667 5.487 ( -0.000 4.388 0.005) 4.388 6.446 ( -0.000 25.861 1.080) 25.884 8.439 ( 0.000 -13.922 -1.082) 13.964 8.932 ( 0.000 -0.786 0.365) 0.867 12.187 ( 0.000 10.705 18.881) 21.705 13.143 ( -0.000 -15.048 -22.341) 26.936 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 4.437 7.165 -2.461) 8.780 2.557 ( 0.504 15.106 -2.226) 15.277 3.078 ( -0.268 1.581 -0.753) 1.772 3.329 ( 11.151 25.824 1.748) 28.183 4.024 ( 4.448 14.745 4.307) 15.992 4.695 ( 3.967 33.152 -2.187) 33.461 5.610 ( 8.648 6.807 0.062) 11.006 6.714 ( 1.597 24.414 -0.113) 24.466 8.279 ( -3.070 -12.049 0.148) 12.435 8.951 ( 2.391 0.964 0.161) 2.583 12.147 ( -1.689 -33.889 18.337) 38.569 13.042 ( -3.144 18.361 -20.232) 27.501 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 7.024 8.117 0.096) 10.735 2.735 ( 4.079 16.076 -4.044) 17.071 3.091 ( 0.074 1.326 0.526) 1.428 3.823 ( 15.271 25.775 0.573) 29.964 4.281 ( 6.846 14.958 2.560) 16.648 5.027 ( 4.412 19.689 -0.900) 20.198 5.917 ( 14.453 13.462 0.400) 19.756 6.970 ( 3.200 19.655 -0.931) 19.935 8.117 ( -4.094 -7.619 0.470) 8.662 9.043 ( 4.972 5.268 0.050) 7.244 11.665 ( -12.783 -39.418 5.185) 41.762 13.173 ( 0.741 14.142 -5.846) 15.320 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 5.433 9.409 -0.000) 10.865 2.995 ( 8.593 14.883 -0.000) 17.186 3.108 ( 0.580 1.004 0.000) 1.160 4.324 ( 13.829 23.953 -0.000) 27.658 4.559 ( 8.242 14.276 -0.000) 16.484 5.235 ( 4.626 8.012 -0.000) 9.252 6.300 ( 10.097 17.488 -0.000) 20.194 7.218 ( 7.460 12.921 -0.000) 14.920 8.013 ( -1.507 -2.611 -0.000) 3.015 9.224 ( 6.441 11.155 -0.000) 12.881 11.044 ( -18.394 -31.860 -0.000) 36.789 13.253 ( 0.543 0.941 -0.000) 1.087 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -0.000 7.493 -4.619) 8.802 2.678 ( -0.000 14.678 -10.121) 17.829 3.100 ( 0.000 2.405 2.301) 3.329 3.501 ( -0.000 26.133 4.659) 26.545 4.164 ( 0.000 16.944 6.030) 17.985 4.997 ( -0.000 31.684 -0.181) 31.684 5.574 ( -0.000 4.370 -0.177) 4.374 6.951 ( -0.000 24.636 -2.042) 24.720 8.202 ( 0.000 -8.925 1.876) 9.120 8.933 ( -0.000 0.839 0.053) 0.841 11.838 ( 0.000 -41.236 11.567) 42.827 13.210 ( -0.000 19.604 -12.948) 23.494 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 5.706 7.635 -2.950) 9.978 2.803 ( 2.535 13.990 -11.936) 18.564 3.140 ( -0.986 4.745 5.237) 7.135 3.854 ( 9.885 24.665 3.156) 26.759 4.374 ( 2.480 17.143 4.893) 18.000 5.232 ( -3.705 20.515 1.156) 20.879 5.759 ( 14.543 8.069 0.565) 16.641 7.158 ( -0.818 19.888 -3.535) 20.217 8.128 ( -2.719 -2.105 2.104) 4.031 8.992 ( 5.128 3.205 -0.033) 6.047 11.414 ( -4.273 -41.836 4.797) 42.326 13.326 ( -2.866 13.727 -5.523) 15.072 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -0.000 7.469 -3.343) 8.183 2.868 ( -0.000 11.675 -11.554) 16.426 3.232 ( 0.000 8.225 5.322) 9.796 4.012 ( -0.000 22.870 3.186) 23.091 4.546 ( -0.000 17.980 5.087) 18.686 5.505 ( -0.000 18.203 4.199) 18.681 5.650 ( -0.000 3.360 -0.303) 3.373 7.317 ( -0.000 12.414 -4.146) 13.088 8.188 ( -0.000 8.192 1.279) 8.291 8.966 ( -0.000 2.490 -0.088) 2.492 11.049 ( 0.000 -40.759 2.275) 40.823 13.462 ( -0.000 10.008 -2.842) 10.403 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.000 -0.000 25.801) 25.801 1.587 ( 0.000 -0.000 25.801) 25.801 2.406 ( -0.000 0.000 -18.081) 18.081 2.406 ( -0.000 0.000 -18.081) 18.081 2.869 ( 0.000 -0.000 46.585) 46.585 4.425 ( -0.000 0.000 -33.120) 33.120 5.334 ( 0.000 -0.000 0.483) 0.483 5.334 ( 0.000 -0.000 0.483) 0.483 8.997 ( 0.000 -0.000 0.756) 0.756 8.997 ( 0.000 -0.000 0.756) 0.756 9.525 ( 0.000 -0.000 0.853) 0.853 14.775 ( 0.000 -0.000 0.453) 0.453 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 4.451 2.570 23.840) 24.388 1.915 ( 12.037 6.949 23.362) 27.184 2.492 ( 9.044 5.221 -17.303) 20.210 2.496 ( 16.787 9.692 -18.486) 26.785 3.039 ( 4.699 2.713 38.643) 39.022 4.142 ( -11.234 -6.486 -26.188) 29.225 5.354 ( 1.580 0.912 0.370) 1.861 5.546 ( 15.889 9.174 -1.040) 18.377 8.924 ( -5.889 -3.400 -3.539) 7.666 8.989 ( -0.955 -0.552 0.472) 1.200 10.209 ( 51.585 29.782 -2.988) 59.640 14.476 ( -25.032 -14.452 1.039) 28.923 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 8.430 4.867 18.281) 20.711 2.149 ( 4.844 2.797 16.418) 17.344 2.719 ( 15.281 8.823 -14.351) 22.745 2.880 ( 13.210 7.627 -2.555) 15.466 3.459 ( 27.041 15.612 14.579) 34.460 3.917 ( -0.918 -0.530 -18.429) 18.459 5.406 ( 2.876 1.661 0.296) 3.334 5.967 ( 20.275 11.706 -0.084) 23.412 8.726 ( -10.065 -5.811 -4.128) 12.333 8.961 ( -1.398 -0.807 0.194) 1.626 11.457 ( 53.596 30.944 -5.307) 62.115 13.738 ( -37.963 -21.918 1.003) 43.847 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 8.482 4.897 11.296) 14.950 2.316 ( 6.850 3.955 14.022) 16.099 3.060 ( 4.838 2.793 -1.861) 5.888 3.091 ( 20.182 11.652 -9.714) 25.248 3.947 ( 10.258 5.923 -6.932) 13.725 4.271 ( 34.893 20.145 -1.267) 40.311 5.483 ( 3.707 2.140 0.345) 4.294 6.443 ( 21.124 12.196 1.397) 24.432 8.464 ( -11.347 -6.551 -3.622) 13.594 8.935 ( -0.786 -0.454 0.053) 0.909 12.485 ( 36.992 21.357 -4.804) 42.984 12.830 ( -40.899 -23.613 2.776) 47.307 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 7.646 4.414 6.199) 10.788 2.567 ( 11.308 6.529 13.288) 18.630 3.138 ( 3.699 2.136 -5.255) 6.772 3.550 ( 21.589 12.464 -5.924) 25.623 4.216 ( 14.448 8.341 -5.272) 17.496 5.009 ( 28.490 16.449 -2.761) 33.013 5.571 ( 3.772 2.178 0.403) 4.375 6.926 ( 20.224 11.676 3.332) 23.589 8.225 ( -7.492 -4.326 -3.172) 9.214 8.933 ( 0.674 0.389 0.064) 0.781 11.908 ( -39.077 -22.561 -2.807) 45.210 13.134 ( 20.249 11.691 2.768) 23.545 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.000 12.425 22.777) 25.946 1.928 ( 0.000 12.625 22.652) 25.933 2.278 ( -0.000 3.530 -19.281) 19.601 2.570 ( -0.000 23.063 -18.572) 29.611 3.147 ( 0.000 2.029 37.918) 37.972 4.065 ( -0.000 -11.178 -27.543) 29.725 5.355 ( -0.000 1.844 0.308) 1.870 5.535 ( -0.000 17.486 -0.232) 17.488 8.911 ( -0.000 -7.722 -2.516) 8.121 8.986 ( 0.000 -1.292 0.648) 1.446 10.200 ( -0.000 57.883 -2.057) 57.920 14.486 ( 0.000 -27.605 0.231) 27.606 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -1.422 13.159 18.088) 22.413 2.154 ( 4.120 5.098 8.979) 11.117 2.476 ( 16.326 11.211 -8.809) 21.675 2.830 ( 7.115 21.067 -10.212) 24.469 3.365 ( 9.604 13.371 23.185) 28.435 3.872 ( -2.042 -2.864 -20.559) 20.858 5.401 ( 2.003 3.552 0.201) 4.083 5.828 ( 11.482 18.761 0.048) 21.996 8.769 ( -5.195 -9.745 -2.630) 11.352 8.971 ( -0.517 -1.271 0.321) 1.409 11.096 ( 32.426 54.244 -2.852) 63.261 13.982 ( -21.135 -33.865 -0.405) 39.921 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 2.120 11.053 10.943) 15.698 2.296 ( 5.366 4.827 6.810) 9.923 2.880 ( 17.128 16.457 -4.988) 24.271 3.029 ( 3.521 5.926 -2.974) 7.507 3.829 ( 9.863 7.454 -0.934) 12.398 3.986 ( 21.921 25.308 -4.086) 33.730 5.489 ( 2.298 6.613 0.214) 7.004 6.249 ( 16.694 16.213 0.471) 23.276 8.541 ( -8.443 -10.370 -2.261) 13.563 8.951 ( -0.819 0.003 0.038) 0.820 12.131 ( 33.560 36.012 -1.910) 49.263 13.181 ( -31.392 -33.645 0.143) 46.016 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 3.675 9.587 5.633) 11.711 2.504 ( 9.169 7.777 9.147) 15.107 3.086 ( 2.546 1.227 -2.457) 3.745 3.364 ( 17.795 20.949 -5.529) 28.037 4.066 ( 11.491 10.142 -4.583) 15.997 4.687 ( 27.395 20.544 -0.569) 34.247 5.610 ( 1.579 11.055 0.145) 11.168 6.707 ( 19.438 13.200 1.569) 23.549 8.290 ( -8.234 -8.759 -2.077) 12.200 8.952 ( -0.391 2.501 -0.018) 2.532 12.280 ( -34.461 -26.806 -8.305) 44.442 12.900 ( 23.317 15.066 8.316) 28.979 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -0.000 4.614 -5.150) 6.914 2.195 ( 0.000 10.797 10.772) 15.252 2.485 ( -0.000 22.022 5.531) 22.706 2.941 ( -0.000 16.114 -8.867) 18.392 3.503 ( 0.000 19.376 18.565) 26.835 3.824 ( -0.000 4.659 -16.744) 17.380 5.409 ( -0.000 3.407 0.068) 3.408 5.957 ( -0.000 23.908 0.901) 23.925 8.698 ( 0.000 -12.174 -1.182) 12.232 8.959 ( 0.000 -1.642 0.442) 1.701 11.403 ( -0.000 58.771 0.705) 58.776 13.781 ( 0.000 -40.661 -3.588) 40.819 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 4.899 5.780 -4.587) 8.857 2.308 ( -0.128 10.595 3.554) 11.176 2.833 ( 10.520 23.350 4.805) 26.057 3.035 ( 1.082 4.819 -4.022) 6.369 3.788 ( 5.585 10.690 6.525) 13.713 4.000 ( 8.390 32.201 -5.937) 33.801 5.490 ( 4.532 5.340 -0.020) 7.004 6.248 ( 5.931 22.832 0.502) 23.595 8.532 ( -4.365 -12.804 -0.287) 13.530 8.951 ( 0.502 -0.726 0.194) 0.903 12.095 ( 16.821 42.740 5.626) 46.274 13.215 ( -16.112 -39.453 -7.076) 43.200 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 4.803 8.318 -0.000) 9.605 2.459 ( 6.138 10.631 -0.000) 12.276 3.067 ( 0.759 1.315 -0.000) 1.519 3.309 ( 14.873 25.761 -0.000) 29.746 4.010 ( 7.287 12.622 -0.000) 14.574 4.543 ( 16.350 28.319 -0.000) 32.700 5.666 ( 6.456 11.182 -0.000) 12.911 6.594 ( 10.559 18.289 -0.000) 21.118 8.314 ( -6.524 -11.300 -0.000) 13.048 8.971 ( 1.252 2.168 -0.000) 2.504 12.458 ( -22.401 -38.800 -0.000) 44.802 12.756 ( 15.334 26.559 0.000) 30.667 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -0.000 7.357 -8.649) 11.354 2.408 ( -0.000 9.950 -5.389) 11.315 3.008 ( 0.000 25.232 8.144) 26.514 3.056 ( -0.000 3.098 -1.415) 3.406 3.881 ( 0.000 12.801 7.078) 14.627 4.277 ( -0.000 38.892 -2.402) 38.966 5.486 ( -0.000 4.340 -0.180) 4.344 6.450 ( -0.000 25.255 -0.160) 25.255 8.440 ( 0.000 -13.358 1.373) 13.429 8.934 ( 0.000 -0.871 0.168) 0.887 12.360 ( 0.000 24.578 18.286) 30.634 12.950 ( -0.000 -28.675 -19.073) 34.439 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 0.000 -0.000 24.128) 24.128 1.817 ( 0.000 -0.000 24.128) 24.128 2.230 ( -0.000 0.000 -20.271) 20.271 2.230 ( -0.000 0.000 -20.271) 20.271 3.276 ( 0.000 -0.000 41.418) 41.418 4.110 ( -0.000 0.000 -34.704) 34.704 5.338 ( 0.000 -0.000 0.259) 0.259 5.338 ( 0.000 -0.000 0.259) 0.259 9.002 ( 0.000 -0.000 0.409) 0.409 9.002 ( 0.000 -0.000 0.409) 0.409 9.531 ( 0.000 -0.000 0.456) 0.456 14.778 ( 0.000 -0.000 0.245) 0.245 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 3.114 1.798 22.604) 22.888 2.096 ( 6.981 4.031 12.292) 14.700 2.323 ( 10.144 5.856 -19.354) 22.623 2.345 ( 22.322 12.888 -10.561) 27.855 3.369 ( -0.357 -0.206 31.219) 31.222 3.892 ( -7.196 -4.155 -26.268) 27.551 5.357 ( 1.567 0.904 0.147) 1.815 5.538 ( 15.669 9.046 -0.642) 18.104 8.902 ( -6.851 -3.955 -1.394) 8.033 8.992 ( -1.028 -0.594 0.094) 1.191 10.191 ( 49.560 28.613 -1.011) 57.236 14.483 ( -24.695 -14.258 0.582) 28.521 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 5.719 3.302 15.889) 17.206 2.240 ( 5.794 3.345 2.335) 7.086 2.586 ( 17.428 10.062 -14.072) 24.557 2.876 ( 16.359 9.445 3.417) 19.196 3.595 ( 19.330 11.160 9.481) 24.250 3.755 ( 1.660 0.958 -11.969) 12.122 5.408 ( 2.905 1.677 0.119) 3.357 5.963 ( 20.720 11.963 -0.582) 23.933 8.700 ( -10.309 -5.952 -1.521) 12.000 8.962 ( -1.429 -0.825 -0.134) 1.655 11.420 ( 53.004 30.602 -2.906) 61.273 13.753 ( -37.446 -21.619 2.344) 43.302 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.000 8.629 18.420) 20.341 2.074 ( -0.000 1.232 -13.414) 13.471 2.147 ( 0.000 14.276 13.498) 19.647 2.400 ( -0.000 25.888 -17.167) 31.063 3.449 ( 0.000 -2.469 22.365) 22.501 3.823 ( -0.000 -6.716 -19.644) 20.761 5.357 ( -0.000 1.815 0.089) 1.817 5.534 ( -0.000 17.779 0.177) 17.780 8.898 ( 0.000 -8.236 -0.497) 8.251 8.991 ( 0.000 -1.253 0.299) 1.289 10.189 ( -0.000 56.708 -0.427) 56.710 14.486 ( 0.000 -28.089 -0.175) 28.090 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 2.830 4.902 -0.000) 5.660 2.142 ( 3.957 6.853 -0.000) 7.913 2.445 ( 9.569 16.573 -0.000) 19.137 2.771 ( 12.870 22.292 -0.000) 25.741 3.520 ( 5.327 9.226 -0.000) 10.653 3.731 ( -0.367 -0.635 0.000) 0.733 5.402 ( 2.035 3.525 -0.000) 4.071 5.828 ( 11.121 19.262 -0.000) 22.242 8.757 ( -5.561 -9.631 -0.000) 11.121 8.972 ( -0.692 -1.199 -0.000) 1.384 11.083 ( 31.702 54.909 -0.000) 63.403 13.980 ( -20.240 -35.057 -0.000) 40.481 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 2.98e-04 2.98e-04 1.56e-04 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.000 -0.000 0.000) 0.000 2.011 ( 0.000 -0.000 0.000) 0.000 2.053 ( 0.000 -0.000 0.000) 0.000 2.053 ( 0.000 -0.000 0.000) 0.000 3.542 ( 0.000 -0.000 0.000) 0.000 3.875 ( -0.000 0.000 -0.000) 0.000 5.339 ( 0.000 -0.000 0.000) 0.000 5.339 ( 0.000 -0.000 0.000) 0.000 9.004 ( 0.000 -0.000 0.000) 0.000 9.004 ( 0.000 -0.000 0.000) 0.000 9.533 ( 0.000 -0.000 0.000) 0.000 14.779 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/49152 10.0 851.340 851.340 2657.905 -0.000 0.000 -0.000 3/49152 20.0 295.478 295.478 415.055 0.000 0.000 -0.000 3/49152 30.0 115.010 115.010 117.661 0.000 0.000 -0.000 3/49152 40.0 65.186 65.186 56.739 0.000 -0.000 -0.000 3/49152 50.0 45.141 45.141 35.191 0.000 -0.000 -0.000 3/49152 60.0 34.534 34.534 24.988 0.000 -0.000 -0.000 3/49152 70.0 27.931 27.931 19.219 0.000 -0.000 -0.000 3/49152 80.0 23.419 23.419 15.564 0.000 -0.000 -0.000 3/49152 90.0 20.151 20.151 13.062 0.000 -0.000 -0.000 3/49152 100.0 17.684 17.684 11.251 0.000 -0.000 -0.000 3/49152 110.0 15.763 15.763 9.885 0.000 -0.000 -0.000 3/49152 120.0 14.229 14.229 8.820 0.000 -0.000 -0.000 3/49152 130.0 12.976 12.976 7.967 0.000 -0.000 -0.000 3/49152 140.0 11.934 11.934 7.269 0.000 -0.000 -0.000 3/49152 150.0 11.054 11.054 6.688 0.000 -0.000 -0.000 3/49152 160.0 10.301 10.301 6.196 0.000 -0.000 -0.000 3/49152 170.0 9.648 9.648 5.774 0.000 -0.000 -0.000 3/49152 180.0 9.076 9.076 5.408 0.000 -0.000 -0.000 3/49152 190.0 8.572 8.572 5.088 0.000 -0.000 -0.000 3/49152 200.0 8.122 8.122 4.804 0.000 -0.000 -0.000 3/49152 210.0 7.719 7.719 4.552 0.000 -0.000 -0.000 3/49152 220.0 7.356 7.356 4.326 0.000 -0.000 -0.000 3/49152 230.0 7.026 7.026 4.122 0.000 -0.000 -0.000 3/49152 240.0 6.726 6.726 3.937 0.000 -0.000 -0.000 3/49152 250.0 6.450 6.450 3.769 0.000 -0.000 -0.000 3/49152 260.0 6.197 6.197 3.615 0.000 -0.000 -0.000 3/49152 270.0 5.964 5.964 3.473 0.000 -0.000 -0.000 3/49152 280.0 5.748 5.748 3.342 0.000 -0.000 -0.000 3/49152 290.0 5.547 5.547 3.221 0.000 -0.000 -0.000 3/49152 300.0 5.360 5.360 3.109 0.000 -0.000 -0.000 3/49152 310.0 5.186 5.186 3.004 0.000 -0.000 -0.000 3/49152 320.0 5.023 5.023 2.906 0.000 -0.000 -0.000 3/49152 330.0 4.869 4.869 2.815 0.000 -0.000 -0.000 3/49152 340.0 4.725 4.725 2.729 0.000 -0.000 -0.000 3/49152 350.0 4.590 4.590 2.649 0.000 -0.000 -0.000 3/49152 360.0 4.462 4.462 2.573 0.000 -0.000 -0.000 3/49152 370.0 4.341 4.341 2.501 0.000 -0.000 -0.000 3/49152 380.0 4.226 4.226 2.434 0.000 -0.000 -0.000 3/49152 390.0 4.118 4.118 2.370 0.000 -0.000 -0.000 3/49152 400.0 4.015 4.015 2.309 0.000 -0.000 -0.000 3/49152 410.0 3.917 3.917 2.252 0.000 -0.000 -0.000 3/49152 420.0 3.823 3.823 2.197 0.000 -0.000 -0.000 3/49152 430.0 3.735 3.735 2.145 0.000 -0.000 -0.000 3/49152 440.0 3.650 3.650 2.095 0.000 -0.000 -0.000 3/49152 450.0 3.569 3.569 2.048 0.000 -0.000 -0.000 3/49152 460.0 3.491 3.491 2.003 0.000 -0.000 -0.000 3/49152 470.0 3.417 3.417 1.959 0.000 -0.000 -0.000 3/49152 480.0 3.346 3.346 1.918 0.000 -0.000 -0.000 3/49152 490.0 3.278 3.278 1.878 0.000 -0.000 -0.000 3/49152 500.0 3.212 3.212 1.840 0.000 -0.000 -0.000 3/49152 510.0 3.149 3.149 1.803 0.000 -0.000 -0.000 3/49152 520.0 3.089 3.089 1.768 0.000 -0.000 -0.000 3/49152 530.0 3.031 3.031 1.735 0.000 -0.000 -0.000 3/49152 540.0 2.975 2.975 1.702 0.000 -0.000 -0.000 3/49152 550.0 2.921 2.921 1.671 0.000 -0.000 -0.000 3/49152 560.0 2.869 2.869 1.641 0.000 -0.000 -0.000 3/49152 570.0 2.819 2.819 1.612 0.000 -0.000 -0.000 3/49152 580.0 2.770 2.770 1.584 0.000 -0.000 -0.000 3/49152 590.0 2.723 2.723 1.556 0.000 -0.000 -0.000 3/49152 600.0 2.678 2.678 1.530 0.000 -0.000 -0.000 3/49152 610.0 2.634 2.634 1.505 0.000 -0.000 -0.000 3/49152 620.0 2.592 2.592 1.481 0.000 -0.000 -0.000 3/49152 630.0 2.551 2.551 1.457 0.000 -0.000 -0.000 3/49152 640.0 2.511 2.511 1.434 0.000 -0.000 -0.000 3/49152 650.0 2.473 2.473 1.412 0.000 -0.000 -0.000 3/49152 660.0 2.435 2.435 1.390 0.000 -0.000 -0.000 3/49152 670.0 2.399 2.399 1.369 0.000 -0.000 -0.000 3/49152 680.0 2.364 2.364 1.349 0.000 -0.000 -0.000 3/49152 690.0 2.330 2.330 1.329 0.000 -0.000 -0.000 3/49152 700.0 2.297 2.297 1.310 0.000 -0.000 -0.000 3/49152 710.0 2.264 2.264 1.292 0.000 -0.000 -0.000 3/49152 720.0 2.233 2.233 1.274 0.000 -0.000 -0.000 3/49152 730.0 2.203 2.203 1.256 0.000 -0.000 -0.000 3/49152 740.0 2.173 2.173 1.239 0.000 -0.000 -0.000 3/49152 750.0 2.144 2.144 1.223 0.000 -0.000 -0.000 3/49152 760.0 2.116 2.116 1.206 0.000 -0.000 -0.000 3/49152 770.0 2.089 2.089 1.191 0.000 -0.000 -0.000 3/49152 780.0 2.062 2.062 1.175 0.000 -0.000 -0.000 3/49152 790.0 2.036 2.036 1.160 0.000 -0.000 -0.000 3/49152 800.0 2.010 2.010 1.146 0.000 -0.000 -0.000 3/49152 810.0 1.986 1.986 1.132 0.000 -0.000 -0.000 3/49152 820.0 1.962 1.962 1.118 0.000 -0.000 -0.000 3/49152 830.0 1.938 1.938 1.104 0.000 -0.000 -0.000 3/49152 840.0 1.915 1.915 1.091 0.000 -0.000 -0.000 3/49152 850.0 1.893 1.893 1.078 0.000 -0.000 -0.000 3/49152 860.0 1.871 1.871 1.066 0.000 -0.000 -0.000 3/49152 870.0 1.849 1.849 1.053 0.000 -0.000 -0.000 3/49152 880.0 1.828 1.828 1.041 0.000 -0.000 -0.000 3/49152 890.0 1.808 1.808 1.030 0.000 -0.000 -0.000 3/49152 900.0 1.788 1.788 1.018 0.000 -0.000 -0.000 3/49152 910.0 1.768 1.768 1.007 0.000 -0.000 -0.000 3/49152 920.0 1.749 1.749 0.996 0.000 -0.000 -0.000 3/49152 930.0 1.730 1.730 0.985 0.000 -0.000 -0.000 3/49152 940.0 1.712 1.712 0.975 0.000 -0.000 -0.000 3/49152 950.0 1.694 1.694 0.964 0.000 -0.000 -0.000 3/49152 960.0 1.676 1.676 0.954 0.000 -0.000 -0.000 3/49152 970.0 1.659 1.659 0.944 0.000 -0.000 -0.000 3/49152 980.0 1.642 1.642 0.935 0.000 -0.000 -0.000 3/49152 990.0 1.626 1.626 0.925 0.000 -0.000 -0.000 3/49152 1000.0 1.610 1.610 0.916 0.000 -0.000 -0.000 3/49152 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:16:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|