----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:31:18]------------------------- 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 1.822413233204577 1.052170770765396 5.524934983333328 b -1.822413233204573 1.052170770765396 5.524934983333328 c 0.000000000000002 -2.104341541530796 5.524934983333328 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *2 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 *3 O 0.23898832845424 0.23898832845424 0.23898832845424 15.999 4 O 0.76101167154576 0.76101167154576 0.76101167154576 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.644826466409151 0.000000000000000 0.000000000000000 b -1.822413233204575 3.156512312296193 0.000000000000000 c 0.000000000000000 0.000000000000000 16.574804950000001 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.66666666666667 0.33333333333333 0.33333333333333 22.990 > 1 3 Na 0.33333333333333 0.66666666666667 0.66666666666667 22.990 > 1 *4 La 0.33333333333333 0.66666666666667 0.16666666666667 138.905 > 2 5 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 2 6 La 0.66666666666667 0.33333333333333 0.83333333333333 138.905 > 2 *7 O 0.00000000000000 0.00000000000000 0.23898832845424 15.999 > 3 8 O 0.66666666666667 0.33333333333333 0.09434500487909 15.999 > 4 9 O 0.66666666666667 0.33333333333333 0.57232166178758 15.999 > 3 10 O 0.33333333333333 0.66666666666667 0.42767833821243 15.999 > 4 11 O 0.33333333333333 0.66666666666667 0.90565499512091 15.999 > 3 12 O 0.00000000000000 0.00000000000000 0.76101167154576 15.999 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.934479399227452 0.000000000000000 0.000000000000000 b -5.467239699613725 9.469536936888579 0.000000000000000 c 0.000000000000000 0.000000000000000 16.574804950000001 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 1 4 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 1 5 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 1 6 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 1 7 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 1 8 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 1 9 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 1 10 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 1 11 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 1 12 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 1 13 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 1 14 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 1 15 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 1 16 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 1 17 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 1 18 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 1 19 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 1 20 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 1 21 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 1 22 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 1 23 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 1 24 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 1 25 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 1 26 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 1 27 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 1 *28 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 2 29 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 2 30 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 2 31 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 2 32 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 2 33 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 2 34 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 2 35 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 2 36 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 2 37 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 2 38 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 2 39 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 2 40 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 2 41 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 2 42 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 2 43 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 2 44 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 2 45 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 2 46 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 2 47 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 2 48 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 2 49 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 2 50 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 2 51 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 2 52 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 2 53 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 2 54 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 2 *55 O 0.00000000000000 0.00000000000000 0.23898832845424 15.999 > 3 56 O 0.33333333333333 0.00000000000000 0.23898832845424 15.999 > 3 57 O 0.66666666666667 0.00000000000000 0.23898832845424 15.999 > 3 58 O 0.00000000000000 0.33333333333333 0.23898832845424 15.999 > 3 59 O 0.33333333333333 0.33333333333333 0.23898832845424 15.999 > 3 60 O 0.66666666666667 0.33333333333333 0.23898832845424 15.999 > 3 61 O 0.00000000000000 0.66666666666667 0.23898832845424 15.999 > 3 62 O 0.33333333333333 0.66666666666667 0.23898832845424 15.999 > 3 63 O 0.66666666666667 0.66666666666667 0.23898832845424 15.999 > 3 64 O 0.22222222222222 0.11111111111111 0.09434500487909 15.999 > 4 65 O 0.55555555555556 0.11111111111111 0.09434500487909 15.999 > 4 66 O 0.88888888888889 0.11111111111111 0.09434500487909 15.999 > 4 67 O 0.22222222222222 0.44444444444444 0.09434500487909 15.999 > 4 68 O 0.55555555555556 0.44444444444444 0.09434500487909 15.999 > 4 69 O 0.88888888888889 0.44444444444444 0.09434500487909 15.999 > 4 70 O 0.22222222222222 0.77777777777778 0.09434500487909 15.999 > 4 71 O 0.55555555555556 0.77777777777778 0.09434500487909 15.999 > 4 72 O 0.88888888888889 0.77777777777778 0.09434500487909 15.999 > 4 73 O 0.22222222222222 0.11111111111111 0.57232166178758 15.999 > 3 74 O 0.55555555555556 0.11111111111111 0.57232166178758 15.999 > 3 75 O 0.88888888888889 0.11111111111111 0.57232166178758 15.999 > 3 76 O 0.22222222222222 0.44444444444444 0.57232166178758 15.999 > 3 77 O 0.55555555555556 0.44444444444444 0.57232166178758 15.999 > 3 78 O 0.88888888888889 0.44444444444444 0.57232166178758 15.999 > 3 79 O 0.22222222222222 0.77777777777778 0.57232166178758 15.999 > 3 80 O 0.55555555555556 0.77777777777778 0.57232166178758 15.999 > 3 81 O 0.88888888888889 0.77777777777778 0.57232166178758 15.999 > 3 82 O 0.11111111111111 0.22222222222222 0.42767833821243 15.999 > 4 83 O 0.44444444444444 0.22222222222222 0.42767833821243 15.999 > 4 84 O 0.77777777777778 0.22222222222222 0.42767833821243 15.999 > 4 85 O 0.11111111111111 0.55555555555556 0.42767833821243 15.999 > 4 86 O 0.44444444444444 0.55555555555556 0.42767833821243 15.999 > 4 87 O 0.77777777777778 0.55555555555556 0.42767833821243 15.999 > 4 88 O 0.11111111111111 0.88888888888889 0.42767833821243 15.999 > 4 89 O 0.44444444444444 0.88888888888889 0.42767833821243 15.999 > 4 90 O 0.77777777777778 0.88888888888889 0.42767833821243 15.999 > 4 91 O 0.11111111111111 0.22222222222222 0.90565499512091 15.999 > 3 92 O 0.44444444444444 0.22222222222222 0.90565499512091 15.999 > 3 93 O 0.77777777777778 0.22222222222222 0.90565499512091 15.999 > 3 94 O 0.11111111111111 0.55555555555556 0.90565499512091 15.999 > 3 95 O 0.44444444444444 0.55555555555556 0.90565499512091 15.999 > 3 96 O 0.77777777777778 0.55555555555556 0.90565499512091 15.999 > 3 97 O 0.11111111111111 0.88888888888889 0.90565499512091 15.999 > 3 98 O 0.44444444444444 0.88888888888889 0.90565499512091 15.999 > 3 99 O 0.77777777777778 0.88888888888889 0.90565499512091 15.999 > 3 100 O 0.00000000000000 0.00000000000000 0.76101167154576 15.999 > 4 101 O 0.33333333333333 0.00000000000000 0.76101167154576 15.999 > 4 102 O 0.66666666666667 0.00000000000000 0.76101167154576 15.999 > 4 103 O 0.00000000000000 0.33333333333333 0.76101167154576 15.999 > 4 104 O 0.33333333333333 0.33333333333333 0.76101167154576 15.999 > 4 105 O 0.66666666666667 0.33333333333333 0.76101167154576 15.999 > 4 106 O 0.00000000000000 0.66666666666667 0.76101167154576 15.999 > 4 107 O 0.33333333333333 0.66666666666667 0.76101167154576 15.999 > 4 108 O 0.66666666666667 0.66666666666667 0.76101167154576 15.999 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1767388 -0.0000000 0.0000000 0.0000000 4.1767388 0.0000000 0.0000000 0.0000000 3.1847577 -------------------------- Born effective charges -------------------------- 1 Na 0.9678451 -0.0000000 0.0000000 0.0000000 0.9678451 0.0000000 0.0000000 0.0000000 1.3501232 2 La 4.5648140 -0.0000000 0.0000000 0.0000000 4.5648140 0.0000000 0.0000000 0.0000000 2.3903487 3 O -2.7663296 0.0000000 0.0000000 0.0000000 -2.7663296 0.0000000 0.0000000 0.0000000 -1.8702359 4 O -2.7663296 0.0000000 0.0000000 0.0000000 -2.7663296 0.0000000 0.0000000 0.0000000 -1.8702359 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.113 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.120 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:31:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:31:22]------------------------- 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 1.822413233204577 1.052170770765396 5.524934983333328 b -1.822413233204573 1.052170770765396 5.524934983333328 c 0.000000000000002 -2.104341541530796 5.524934983333328 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 3 O 0.23898832845424 0.23898832845424 0.23898832845424 15.999 4 O 0.76101167154576 0.76101167154576 0.76101167154576 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.934479399227452 0.000000000000000 0.000000000000000 b -5.467239699613725 9.469536936888579 0.000000000000000 c 0.000000000000000 0.000000000000000 16.574804950000001 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 1 4 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 1 5 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 1 6 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 1 7 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 1 8 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 1 9 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 1 10 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 1 11 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 1 12 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 1 13 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 1 14 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 1 15 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 1 16 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 1 17 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 1 18 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 1 19 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 1 20 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 1 21 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 1 22 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 1 23 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 1 24 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 1 25 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 1 26 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 1 27 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 1 28 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 28 29 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 28 30 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 28 31 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 28 32 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 28 33 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 28 34 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 28 35 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 28 36 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 28 37 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 28 38 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 28 39 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 28 40 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 28 41 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 28 42 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 28 43 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 28 44 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 28 45 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 28 46 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 28 47 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 28 48 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 28 49 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 28 50 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 28 51 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 28 52 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 28 53 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 28 54 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 28 55 O 0.00000000000000 0.00000000000000 0.23898832845424 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.23898832845424 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.23898832845424 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.23898832845424 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.23898832845424 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.23898832845424 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.23898832845424 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.23898832845424 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.23898832845424 15.999 > 55 64 O 0.22222222222222 0.11111111111111 0.09434500487909 15.999 > 64 65 O 0.55555555555556 0.11111111111111 0.09434500487909 15.999 > 64 66 O 0.88888888888889 0.11111111111111 0.09434500487909 15.999 > 64 67 O 0.22222222222222 0.44444444444444 0.09434500487909 15.999 > 64 68 O 0.55555555555556 0.44444444444444 0.09434500487909 15.999 > 64 69 O 0.88888888888889 0.44444444444444 0.09434500487909 15.999 > 64 70 O 0.22222222222222 0.77777777777778 0.09434500487909 15.999 > 64 71 O 0.55555555555556 0.77777777777778 0.09434500487909 15.999 > 64 72 O 0.88888888888889 0.77777777777778 0.09434500487909 15.999 > 64 73 O 0.22222222222222 0.11111111111111 0.57232166178758 15.999 > 55 74 O 0.55555555555556 0.11111111111111 0.57232166178758 15.999 > 55 75 O 0.88888888888889 0.11111111111111 0.57232166178758 15.999 > 55 76 O 0.22222222222222 0.44444444444444 0.57232166178758 15.999 > 55 77 O 0.55555555555556 0.44444444444444 0.57232166178758 15.999 > 55 78 O 0.88888888888889 0.44444444444444 0.57232166178758 15.999 > 55 79 O 0.22222222222222 0.77777777777778 0.57232166178758 15.999 > 55 80 O 0.55555555555556 0.77777777777778 0.57232166178758 15.999 > 55 81 O 0.88888888888889 0.77777777777778 0.57232166178758 15.999 > 55 82 O 0.11111111111111 0.22222222222222 0.42767833821243 15.999 > 64 83 O 0.44444444444444 0.22222222222222 0.42767833821243 15.999 > 64 84 O 0.77777777777778 0.22222222222222 0.42767833821243 15.999 > 64 85 O 0.11111111111111 0.55555555555556 0.42767833821243 15.999 > 64 86 O 0.44444444444444 0.55555555555556 0.42767833821243 15.999 > 64 87 O 0.77777777777778 0.55555555555556 0.42767833821243 15.999 > 64 88 O 0.11111111111111 0.88888888888889 0.42767833821243 15.999 > 64 89 O 0.44444444444444 0.88888888888889 0.42767833821243 15.999 > 64 90 O 0.77777777777778 0.88888888888889 0.42767833821243 15.999 > 64 91 O 0.11111111111111 0.22222222222222 0.90565499512091 15.999 > 55 92 O 0.44444444444444 0.22222222222222 0.90565499512091 15.999 > 55 93 O 0.77777777777778 0.22222222222222 0.90565499512091 15.999 > 55 94 O 0.11111111111111 0.55555555555556 0.90565499512091 15.999 > 55 95 O 0.44444444444444 0.55555555555556 0.90565499512091 15.999 > 55 96 O 0.77777777777778 0.55555555555556 0.90565499512091 15.999 > 55 97 O 0.11111111111111 0.88888888888889 0.90565499512091 15.999 > 55 98 O 0.44444444444444 0.88888888888889 0.90565499512091 15.999 > 55 99 O 0.77777777777778 0.88888888888889 0.90565499512091 15.999 > 55 100 O 0.00000000000000 0.00000000000000 0.76101167154576 15.999 > 64 101 O 0.33333333333333 0.00000000000000 0.76101167154576 15.999 > 64 102 O 0.66666666666667 0.00000000000000 0.76101167154576 15.999 > 64 103 O 0.00000000000000 0.33333333333333 0.76101167154576 15.999 > 64 104 O 0.33333333333333 0.33333333333333 0.76101167154576 15.999 > 64 105 O 0.66666666666667 0.33333333333333 0.76101167154576 15.999 > 64 106 O 0.00000000000000 0.66666666666667 0.76101167154576 15.999 > 64 107 O 0.33333333333333 0.66666666666667 0.76101167154576 15.999 > 64 108 O 0.66666666666667 0.66666666666667 0.76101167154576 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1767388 -0.0000000 0.0000000 0.0000000 4.1767388 0.0000000 0.0000000 0.0000000 3.1847577 -------------------------- Born effective charges -------------------------- 1 Na 0.9678451 -0.0000000 0.0000000 0.0000000 0.9678451 0.0000000 0.0000000 0.0000000 1.3501232 2 La 4.5648140 -0.0000000 0.0000000 0.0000000 4.5648140 0.0000000 0.0000000 0.0000000 2.3903487 3 O -2.7663296 0.0000000 0.0000000 0.0000000 -2.7663296 0.0000000 0.0000000 0.0000000 -1.8702359 4 O -2.7663296 0.0000000 0.0000000 0.0000000 -2.7663296 0.0000000 0.0000000 0.0000000 -1.8702359 ---------------------------------------------------------------------------- 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[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zxx) -0.00000000 (zxx) -0.00000000 (zxx) 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 23:31:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:31:27]------------------------- 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 1.822413233204577 1.052170770765396 5.524934983333328 b -1.822413233204573 1.052170770765396 5.524934983333328 c 0.000000000000002 -2.104341541530796 5.524934983333328 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 3 O 0.23898832845424 0.23898832845424 0.23898832845424 15.999 4 O 0.76101167154576 0.76101167154576 0.76101167154576 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.934479399227452 0.000000000000000 0.000000000000000 b -5.467239699613725 9.469536936888579 0.000000000000000 c 0.000000000000000 0.000000000000000 16.574804950000001 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 1 4 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 1 5 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 1 6 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 1 7 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 1 8 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 1 9 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 1 10 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 1 11 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 1 12 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 1 13 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 1 14 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 1 15 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 1 16 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 1 17 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 1 18 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 1 19 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 1 20 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 1 21 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 1 22 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 1 23 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 1 24 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 1 25 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 1 26 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 1 27 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 1 28 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 28 29 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 28 30 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 28 31 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 28 32 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 28 33 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 28 34 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 28 35 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 28 36 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 28 37 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 28 38 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 28 39 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 28 40 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 28 41 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 28 42 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 28 43 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 28 44 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 28 45 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 28 46 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 28 47 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 28 48 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 28 49 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 28 50 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 28 51 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 28 52 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 28 53 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 28 54 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 28 55 O 0.00000000000000 0.00000000000000 0.23898832845424 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.23898832845424 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.23898832845424 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.23898832845424 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.23898832845424 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.23898832845424 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.23898832845424 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.23898832845424 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.23898832845424 15.999 > 55 64 O 0.22222222222222 0.11111111111111 0.09434500487909 15.999 > 64 65 O 0.55555555555556 0.11111111111111 0.09434500487909 15.999 > 64 66 O 0.88888888888889 0.11111111111111 0.09434500487909 15.999 > 64 67 O 0.22222222222222 0.44444444444444 0.09434500487909 15.999 > 64 68 O 0.55555555555556 0.44444444444444 0.09434500487909 15.999 > 64 69 O 0.88888888888889 0.44444444444444 0.09434500487909 15.999 > 64 70 O 0.22222222222222 0.77777777777778 0.09434500487909 15.999 > 64 71 O 0.55555555555556 0.77777777777778 0.09434500487909 15.999 > 64 72 O 0.88888888888889 0.77777777777778 0.09434500487909 15.999 > 64 73 O 0.22222222222222 0.11111111111111 0.57232166178758 15.999 > 55 74 O 0.55555555555556 0.11111111111111 0.57232166178758 15.999 > 55 75 O 0.88888888888889 0.11111111111111 0.57232166178758 15.999 > 55 76 O 0.22222222222222 0.44444444444444 0.57232166178758 15.999 > 55 77 O 0.55555555555556 0.44444444444444 0.57232166178758 15.999 > 55 78 O 0.88888888888889 0.44444444444444 0.57232166178758 15.999 > 55 79 O 0.22222222222222 0.77777777777778 0.57232166178758 15.999 > 55 80 O 0.55555555555556 0.77777777777778 0.57232166178758 15.999 > 55 81 O 0.88888888888889 0.77777777777778 0.57232166178758 15.999 > 55 82 O 0.11111111111111 0.22222222222222 0.42767833821243 15.999 > 64 83 O 0.44444444444444 0.22222222222222 0.42767833821243 15.999 > 64 84 O 0.77777777777778 0.22222222222222 0.42767833821243 15.999 > 64 85 O 0.11111111111111 0.55555555555556 0.42767833821243 15.999 > 64 86 O 0.44444444444444 0.55555555555556 0.42767833821243 15.999 > 64 87 O 0.77777777777778 0.55555555555556 0.42767833821243 15.999 > 64 88 O 0.11111111111111 0.88888888888889 0.42767833821243 15.999 > 64 89 O 0.44444444444444 0.88888888888889 0.42767833821243 15.999 > 64 90 O 0.77777777777778 0.88888888888889 0.42767833821243 15.999 > 64 91 O 0.11111111111111 0.22222222222222 0.90565499512091 15.999 > 55 92 O 0.44444444444444 0.22222222222222 0.90565499512091 15.999 > 55 93 O 0.77777777777778 0.22222222222222 0.90565499512091 15.999 > 55 94 O 0.11111111111111 0.55555555555556 0.90565499512091 15.999 > 55 95 O 0.44444444444444 0.55555555555556 0.90565499512091 15.999 > 55 96 O 0.77777777777778 0.55555555555556 0.90565499512091 15.999 > 55 97 O 0.11111111111111 0.88888888888889 0.90565499512091 15.999 > 55 98 O 0.44444444444444 0.88888888888889 0.90565499512091 15.999 > 55 99 O 0.77777777777778 0.88888888888889 0.90565499512091 15.999 > 55 100 O 0.00000000000000 0.00000000000000 0.76101167154576 15.999 > 64 101 O 0.33333333333333 0.00000000000000 0.76101167154576 15.999 > 64 102 O 0.66666666666667 0.00000000000000 0.76101167154576 15.999 > 64 103 O 0.00000000000000 0.33333333333333 0.76101167154576 15.999 > 64 104 O 0.33333333333333 0.33333333333333 0.76101167154576 15.999 > 64 105 O 0.66666666666667 0.33333333333333 0.76101167154576 15.999 > 64 106 O 0.00000000000000 0.66666666666667 0.76101167154576 15.999 > 64 107 O 0.33333333333333 0.66666666666667 0.76101167154576 15.999 > 64 108 O 0.66666666666667 0.66666666666667 0.76101167154576 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1767388 -0.0000000 0.0000000 0.0000000 4.1767388 0.0000000 0.0000000 0.0000000 3.1847577 -------------------------- Born effective charges -------------------------- 1 Na 0.9678451 -0.0000000 0.0000000 0.0000000 0.9678451 0.0000000 0.0000000 0.0000000 1.3501232 2 La 4.5648140 -0.0000000 0.0000000 0.0000000 4.5648140 0.0000000 0.0000000 0.0000000 2.3903487 3 O -2.7663296 0.0000000 0.0000000 0.0000000 -2.7663296 0.0000000 0.0000000 0.0000000 -1.8702359 4 O -2.7663296 0.0000000 0.0000000 0.0000000 -2.7663296 0.0000000 0.0000000 0.0000000 -1.8702359 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxx) -0.00000000 (zxx) -0.00000000 (zxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 16 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.04, Number of G-points: 299, Lambda: 0.21 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: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 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 3.075 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 5.753 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 8.985 ( 0.000 0.000 0.000) 0.000 12.489 ( 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: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 19.427 11.216 13.869) 26.373 0.614 ( 24.560 14.180 13.937) 31.599 1.119 ( 49.163 28.384 -5.635) 57.047 3.088 ( 1.502 0.867 -2.094) 2.719 3.263 ( 6.800 3.926 -0.518) 7.869 5.783 ( 0.993 0.573 4.857) 4.990 6.636 ( 2.116 1.222 0.561) 2.507 8.494 ( -12.206 -7.047 -0.248) 14.097 8.671 ( -2.217 -1.280 -0.707) 2.655 9.144 ( 11.756 6.787 -10.132) 16.939 12.407 ( -7.156 -4.132 1.101) 8.336 15.202 ( 0.497 0.287 -28.111) 28.116 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 19.192 11.080 13.999) 26.212 1.226 ( 24.308 14.034 13.760) 31.260 2.180 ( 44.742 25.832 -6.543) 52.077 3.128 ( 2.931 1.692 -4.117) 5.329 3.496 ( 13.799 7.967 1.026) 15.967 5.836 ( 2.233 1.289 1.833) 3.164 6.712 ( 4.202 2.426 1.034) 4.961 8.226 ( -10.728 -6.194 1.421) 12.469 8.600 ( -3.395 -1.960 -1.289) 4.127 9.345 ( 7.844 4.529 -5.822) 10.767 12.181 ( -12.936 -7.469 3.108) 15.257 15.055 ( -5.976 -3.450 -16.877) 18.234 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 18.357 10.598 14.047) 25.428 1.823 ( 23.167 13.375 13.375) 29.908 3.050 ( 32.148 18.561 -8.411) 38.062 3.188 ( 3.967 2.290 -6.056) 7.594 3.934 ( 24.660 14.238 3.003) 28.633 5.884 ( 1.545 0.892 -1.008) 2.050 6.828 ( 5.165 2.982 1.276) 6.099 8.040 ( -5.900 -3.406 3.478) 7.649 8.525 ( -2.207 -1.274 -1.541) 2.978 9.433 ( 1.093 0.631 -5.462) 5.606 11.857 ( -16.615 -9.593 6.605) 20.291 14.810 ( -9.730 -5.618 -15.518) 19.158 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 16.475 9.512 13.608) 23.389 2.374 ( 20.428 11.794 12.817) 26.845 3.258 ( 4.377 2.527 -7.941) 9.413 3.582 ( 18.680 10.785 -8.162) 23.062 4.610 ( 31.007 17.902 2.846) 35.917 5.885 ( -0.747 -0.432 -4.358) 4.443 6.937 ( 3.508 2.025 1.186) 4.221 8.002 ( 1.357 0.784 5.556) 5.773 8.513 ( 2.093 1.208 -1.294) 2.741 9.323 ( -8.883 -5.128 -8.802) 13.516 11.488 ( -18.433 -10.642 10.949) 23.936 14.525 ( -9.304 -5.371 -14.949) 18.408 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 13.555 7.826 12.286) 19.898 2.838 ( 15.597 9.005 12.456) 21.898 3.326 ( 4.544 2.623 -9.859) 11.168 3.905 ( 12.710 7.338 -6.638) 16.108 5.273 ( 24.649 14.231 2.553) 28.576 5.822 ( -2.321 -1.340 -7.703) 8.156 6.985 ( 0.405 0.234 0.931) 1.042 8.145 ( 8.992 5.191 6.415) 12.205 8.616 ( 7.001 4.042 -0.748) 8.119 8.960 ( -18.627 -10.755 -13.298) 25.288 11.094 ( -20.044 -11.572 12.462) 26.286 14.310 ( -4.513 -2.606 -11.623) 12.738 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 9.828 5.674 9.720) 14.942 3.160 ( 8.023 4.632 11.565) 14.817 3.402 ( 5.875 3.392 -10.617) 12.600 4.126 ( 8.664 5.002 -4.796) 11.094 5.646 ( 1.102 0.636 5.162) 5.317 5.822 ( 11.387 6.574 -11.475) 17.451 6.975 ( -1.172 -0.677 0.718) 1.532 8.427 ( -21.202 -12.241 -12.329) 27.411 8.439 ( 13.382 7.726 3.840) 15.922 8.798 ( 8.323 4.805 -0.318) 9.616 10.663 ( -20.964 -12.104 9.237) 25.910 14.234 ( 0.462 0.267 -6.358) 6.380 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 5.291 3.055 5.552) 8.256 3.290 ( 1.754 1.012 4.594) 5.020 3.513 ( 5.258 3.036 -4.426) 7.513 4.265 ( 4.601 2.657 -2.529) 5.884 5.597 ( -2.455 -1.417 -0.275) 2.848 6.045 ( 7.517 4.340 -4.135) 9.614 6.951 ( -0.950 -0.549 0.433) 1.179 7.944 ( -14.827 -8.561 -9.094) 19.387 8.783 ( 13.348 7.706 3.314) 15.765 8.961 ( 5.370 3.100 -0.102) 6.201 10.239 ( -17.013 -9.822 4.331) 20.116 14.252 ( 1.770 1.022 -2.283) 3.064 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 -0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 -0.000) 0.000 6.940 ( 0.000 0.000 -0.000) 0.000 7.748 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 -0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 14.272 ( 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: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.000 18.669 11.658) 22.010 0.493 ( -0.000 27.198 -6.581) 27.983 1.225 ( 0.000 56.461 12.378) 57.802 3.106 ( 0.000 2.757 1.074) 2.959 3.241 ( -0.000 7.797 -4.183) 8.848 5.802 ( 0.000 -1.476 7.754) 7.893 6.637 ( 0.000 2.369 0.611) 2.447 8.470 ( -0.000 -13.846 -4.706) 14.624 8.674 ( 0.000 -2.356 -0.237) 2.368 9.098 ( -0.000 17.815 -16.893) 24.551 12.412 ( 0.000 -8.364 1.895) 8.576 15.063 ( -0.000 13.537 -47.025) 48.934 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 15.531 8.442 16.423) 24.129 1.124 ( 25.067 22.857 -0.477) 33.927 1.971 ( 18.418 49.480 6.383) 53.181 3.134 ( -0.572 5.109 -1.298) 5.303 3.394 ( 8.285 10.250 -1.952) 13.323 5.829 ( 1.072 0.988 3.400) 3.699 6.692 ( 2.429 3.761 1.193) 4.633 8.268 ( -4.992 -12.988 -2.314) 14.105 8.625 ( -2.108 -2.544 -0.829) 3.406 9.257 ( 5.753 10.275 -10.349) 15.677 12.264 ( -6.357 -11.864 3.396) 13.882 15.011 ( -1.006 1.033 -26.388) 26.427 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 22.569 2.209 16.994) 28.338 1.754 ( 20.562 24.044 3.449) 31.825 2.781 ( 22.991 34.703 -0.653) 41.632 3.185 ( 0.301 7.554 -3.224) 8.218 3.729 ( 17.444 15.433 0.405) 23.295 5.871 ( 1.109 1.414 0.377) 1.836 6.800 ( 3.957 5.396 1.752) 6.918 8.068 ( -3.825 -9.592 -0.151) 10.328 8.558 ( -2.716 -1.014 -1.308) 3.181 9.375 ( 3.585 2.814 -7.853) 9.080 12.001 ( -10.898 -14.188 6.321) 18.974 14.836 ( -7.002 -4.333 -19.238) 20.926 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 23.026 -0.840 15.382) 27.704 2.330 ( 16.718 24.139 5.178) 29.816 3.242 ( 2.461 8.770 -7.516) 11.809 3.391 ( 14.482 19.115 -1.721) 24.043 4.315 ( 27.040 21.924 1.815) 34.858 5.882 ( -0.700 0.333 -2.793) 2.899 6.933 ( 3.249 6.636 2.042) 7.665 7.973 ( 1.408 -5.108 1.844) 5.610 8.523 ( -0.978 2.245 -1.146) 2.704 9.345 ( -3.397 -4.245 -9.290) 10.764 11.674 ( -13.454 -15.416 10.609) 23.047 14.566 ( -9.486 -6.004 -17.131) 20.481 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 21.293 -3.735 12.814) 25.130 2.834 ( 12.528 22.348 5.498) 26.203 3.325 ( 0.213 10.149 -7.381) 12.551 3.754 ( 11.763 11.490 -3.027) 16.720 5.003 ( 26.309 19.530 0.703) 32.773 5.828 ( -3.034 -1.419 -5.301) 6.271 7.038 ( -0.366 7.469 1.907) 7.717 8.038 ( 8.367 -0.586 2.801) 8.843 8.576 ( 2.812 5.721 -0.183) 6.377 9.091 ( -13.028 -9.132 -13.152) 20.642 11.315 ( -15.720 -16.216 13.459) 26.291 14.307 ( -6.113 -5.243 -14.160) 16.290 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 18.374 -6.974 9.054) 21.639 3.231 ( 7.090 19.032 5.846) 21.134 3.398 ( -0.804 11.618 -8.083) 14.176 4.017 ( 8.979 7.893 -1.868) 12.100 5.560 ( 19.159 13.019 -0.239) 23.165 5.723 ( -3.698 -2.550 -6.673) 8.045 7.083 ( -4.349 9.137 1.541) 10.236 8.247 ( 13.452 0.071 0.083) 13.452 8.579 ( -13.967 -8.304 -6.219) 17.398 8.801 ( 0.568 8.243 -5.573) 9.966 10.904 ( -18.764 -16.697 11.543) 27.642 14.171 ( 0.602 -3.861 -8.810) 9.638 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 14.614 -10.423 3.938) 18.377 3.442 ( -4.049 14.120 -0.489) 14.698 3.515 ( 3.193 13.554 -1.393) 13.995 4.206 ( 5.689 5.379 -0.023) 7.830 5.616 ( -2.957 -2.258 -4.400) 5.762 5.916 ( 11.682 6.486 -2.054) 13.519 7.097 ( -6.716 12.309 1.329) 14.084 8.059 ( -15.274 -12.845 -11.870) 23.220 8.592 ( 13.667 4.585 2.665) 14.660 8.976 ( 4.536 11.853 -0.457) 12.699 10.446 ( -18.986 -15.660 6.913) 25.563 14.164 ( 4.852 -3.843 -3.846) 7.287 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 10.216 -13.665 -1.948) 17.173 3.482 ( -6.324 13.991 -3.620) 15.775 3.648 ( -2.114 10.062 2.654) 10.619 4.313 ( 1.606 2.611 1.750) 3.530 5.555 ( -0.342 -1.118 -3.216) 3.422 6.088 ( 4.564 1.457 0.117) 4.792 7.111 ( -8.745 15.961 1.157) 18.236 7.742 ( -4.460 -6.401 -3.810) 8.682 8.832 ( 8.845 -0.726 -0.528) 8.890 9.143 ( 0.180 11.729 -0.235) 11.733 10.059 ( -9.920 -10.754 2.687) 14.875 14.200 ( 4.865 -5.146 -1.034) 7.157 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 5.470 -16.367 -7.479) 18.808 3.471 ( -9.004 13.348 -5.202) 16.921 3.664 ( -7.304 6.863 5.085) 11.238 4.322 ( -2.778 -0.621 3.218) 4.296 5.560 ( 2.331 0.667 -2.215) 3.285 6.109 ( -2.269 -2.880 3.640) 5.166 7.108 ( -9.849 15.149 0.602) 18.080 7.797 ( 11.901 3.166 5.828) 13.624 8.823 ( -4.604 -7.931 -2.148) 9.419 9.135 ( -10.233 5.530 -1.612) 11.743 10.034 ( 11.957 1.702 -1.560) 12.178 14.210 ( 3.116 -6.214 0.849) 7.003 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 0.712 -18.440 -11.724) 21.863 3.381 ( -13.743 11.611 -8.356) 19.836 3.588 ( -10.203 4.665 8.542) 14.101 4.234 ( -6.625 -3.531 4.644) 8.827 5.618 ( 2.947 2.244 -3.371) 5.009 5.976 ( -9.567 -7.237 7.765) 14.290 7.092 ( -7.741 11.929 0.524) 14.230 8.194 ( 21.286 7.780 11.682) 25.497 8.551 ( -12.669 -9.427 -4.645) 16.461 8.975 ( -11.423 2.535 -0.559) 11.715 10.368 ( 20.719 6.975 -6.734) 22.875 14.207 ( 2.940 -5.220 3.721) 7.052 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -3.724 -19.904 -14.228) 24.748 3.143 ( -21.385 8.011 -9.464) 24.720 3.496 ( -9.449 4.171 9.002) 13.701 4.064 ( -10.226 -5.653 5.979) 13.125 5.520 ( -16.742 -6.190 -5.739) 18.749 5.829 ( -0.057 -2.358 10.397) 10.661 7.076 ( -6.310 8.204 0.300) 10.354 8.217 ( -10.511 -9.244 -4.693) 14.763 8.631 ( 7.833 1.325 2.598) 8.358 8.883 ( 2.639 8.871 8.499) 12.566 10.778 ( 22.160 6.953 -10.479) 25.480 14.266 ( 5.988 -1.554 7.785) 9.944 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -7.726 -20.661 -15.024) 26.689 2.750 ( -27.414 5.119 -9.144) 29.348 3.409 ( -8.774 3.270 7.350) 11.904 3.814 ( -14.728 -7.114 7.015) 17.797 4.983 ( -30.428 -12.310 -2.740) 32.937 5.888 ( 1.860 0.403 5.133) 5.474 7.026 ( -6.737 3.692 -0.211) 7.685 7.994 ( -4.385 -5.009 -5.021) 8.339 8.574 ( -5.055 -0.131 -0.615) 5.094 9.217 ( 12.914 5.793 8.847) 16.691 11.181 ( 21.999 6.106 -9.881) 24.877 14.448 ( 10.272 2.603 10.568) 14.966 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -11.281 -20.071 -14.002) 26.947 2.253 ( -31.205 3.411 -8.368) 32.488 3.315 ( -7.932 2.045 5.299) 9.756 3.445 ( -23.971 -8.640 7.479) 26.556 4.287 ( -32.852 -11.485 -3.081) 34.938 5.909 ( -1.106 -0.317 2.001) 2.308 6.918 ( -7.559 0.243 -0.591) 7.586 7.942 ( 3.848 -1.239 -3.562) 5.387 8.531 ( -0.745 1.714 0.342) 1.900 9.421 ( 4.509 0.381 4.019) 6.052 11.580 ( 21.188 5.248 -5.861) 22.602 14.721 ( 12.077 4.146 9.990) 16.212 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -14.622 -16.011 -10.257) 23.986 1.699 ( -32.983 2.160 -6.076) 33.607 2.812 ( -42.318 -9.028 4.868) 43.543 3.221 ( -6.353 0.891 3.007) 7.085 3.717 ( -21.352 -5.410 -1.770) 22.098 5.868 ( -3.006 -0.722 -0.094) 3.093 6.787 ( -6.682 -0.708 -0.488) 6.737 8.060 ( 10.552 0.889 -1.559) 10.703 8.569 ( 2.477 1.486 0.526) 2.936 9.431 ( -3.268 -1.409 1.897) 4.033 11.952 ( 18.509 3.272 -2.193) 18.923 14.987 ( 10.565 2.709 6.732) 12.817 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -17.579 0.000 0.000) 17.579 1.129 ( -33.220 0.000 0.000) 33.220 1.933 ( -53.109 0.000 0.000) 53.109 3.141 ( -4.088 0.000 0.000) 4.088 3.405 ( -12.596 0.000 0.000) 12.596 5.809 ( -2.957 0.000 0.000) 2.957 6.685 ( -4.448 0.000 0.000) 4.448 8.282 ( 14.144 -0.000 -0.000) 14.144 8.630 ( 3.270 -0.000 -0.000) 3.270 9.318 ( -9.019 0.000 0.000) 9.019 12.244 ( 13.682 -0.000 -0.000) 13.682 15.172 ( 7.496 -0.000 -0.000) 7.496 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.000 15.518 8.367) 17.630 0.976 ( -0.000 26.689 -6.864) 27.558 2.405 ( 0.000 52.905 11.839) 54.214 3.200 ( 0.000 5.465 2.129) 5.865 3.424 ( -0.000 14.172 -5.310) 15.134 5.845 ( 0.000 1.806 2.835) 3.361 6.716 ( 0.000 4.932 1.393) 5.125 8.153 ( -0.000 -14.024 -4.794) 14.821 8.607 ( -0.000 -3.781 -0.676) 3.841 9.281 ( -0.000 10.453 -10.643) 14.918 12.194 ( 0.000 -15.598 4.107) 16.130 14.940 ( -0.000 1.520 -24.358) 24.405 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 5.634 11.103 12.025) 17.310 1.540 ( 26.374 22.346 -6.430) 35.160 2.981 ( 3.627 42.763 7.933) 43.643 3.275 ( 0.341 10.122 2.085) 10.340 3.647 ( 10.294 18.381 -4.196) 21.481 5.880 ( 0.358 2.448 1.224) 2.761 6.805 ( 3.016 6.431 2.091) 7.404 7.990 ( -1.101 -11.837 -4.217) 12.614 8.561 ( -0.553 -3.014 -1.273) 3.318 9.338 ( 1.259 4.692 -9.407) 10.588 11.999 ( -5.051 -18.164 6.061) 19.804 14.824 ( -4.010 -2.574 -19.264) 19.844 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 15.906 3.128 14.612) 21.825 2.188 ( 25.622 21.345 -5.488) 33.796 3.286 ( 1.045 14.664 -4.662) 15.423 3.502 ( 2.005 23.434 7.036) 24.550 4.142 ( 20.939 26.821 -0.846) 34.037 5.900 ( -1.044 1.788 -0.985) 2.293 6.956 ( 4.358 8.687 3.085) 10.197 7.878 ( 1.532 -7.609 -2.843) 8.266 8.535 ( 0.697 -0.348 -1.863) 2.019 9.315 ( -1.869 -2.304 -9.606) 10.054 11.723 ( -8.261 -19.643 9.504) 23.333 14.605 ( -8.733 -5.204 -16.622) 19.484 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 18.676 -2.614 12.859) 22.825 2.777 ( 20.473 20.514 -3.996) 29.256 3.412 ( 0.524 13.613 -6.739) 15.199 3.773 ( 3.443 17.447 5.451) 18.601 4.787 ( 23.047 23.883 -1.173) 33.210 5.864 ( -3.558 0.485 -2.632) 4.452 7.130 ( 2.267 11.148 3.638) 11.944 7.886 ( 6.706 -3.008 -2.164) 7.662 8.581 ( 3.724 3.988 -1.566) 5.677 9.137 ( -8.569 -7.671 -11.869) 16.527 11.407 ( -10.429 -20.538 12.973) 26.436 14.328 ( -9.155 -5.859 -14.348) 18.000 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 17.999 -7.082 8.899) 21.291 3.254 ( 13.887 18.384 -2.906) 23.222 3.527 ( -0.789 15.192 -7.035) 16.761 4.012 ( 4.087 13.498 5.549) 15.156 5.338 ( 19.514 13.839 -5.665) 24.585 5.783 ( -5.057 1.126 -0.740) 5.233 7.266 ( -2.045 13.315 3.033) 13.809 8.017 ( 11.077 -1.130 -3.794) 11.763 8.715 ( -0.749 6.319 1.353) 6.506 8.819 ( -7.214 -5.364 -13.897) 16.551 11.046 ( -13.790 -20.990 13.066) 28.311 14.106 ( -3.719 -5.806 -10.181) 12.297 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 15.438 -10.693 3.619) 19.125 3.589 ( 6.996 14.016 -1.619) 15.748 3.632 ( -2.234 17.249 -6.260) 18.486 4.215 ( 2.817 10.742 5.881) 12.566 5.581 ( 3.568 -1.229 -12.497) 13.054 5.822 ( 5.714 8.228 5.327) 11.346 7.355 ( -4.823 15.398 2.066) 16.267 8.081 ( -2.601 -7.325 -11.520) 13.897 8.525 ( -2.415 4.192 -1.131) 4.968 8.980 ( 8.363 10.437 -1.473) 13.455 10.615 ( -17.225 -20.218 9.442) 28.189 14.015 ( 3.232 -6.697 -5.207) 9.078 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 11.723 -13.599 -2.080) 18.074 3.703 ( -3.910 14.945 -5.944) 16.552 3.800 ( 0.469 13.273 1.322) 13.347 4.352 ( -0.055 7.265 5.276) 8.978 5.539 ( -0.518 -0.202 -7.414) 7.435 6.010 ( 6.373 2.514 2.197) 7.194 7.445 ( -4.164 18.210 2.281) 18.818 7.799 ( -13.298 -3.205 -7.609) 15.653 8.686 ( 9.450 5.052 -1.737) 10.856 9.209 ( 5.645 11.100 -0.504) 12.463 10.158 ( -15.800 -17.793 5.253) 24.369 14.018 ( 6.707 -8.580 -1.896) 11.054 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 7.403 -15.883 -7.126) 18.917 3.734 ( -6.988 14.442 -6.083) 17.158 3.892 ( -5.089 10.916 4.684) 12.923 4.390 ( -3.381 2.767 3.979) 5.910 5.529 ( 1.065 2.119 -4.832) 5.383 6.095 ( 2.116 -2.372 3.451) 4.692 7.543 ( -17.294 20.349 0.230) 26.706 7.659 ( 8.766 3.317 3.385) 9.965 8.808 ( 0.668 0.213 -3.104) 3.182 9.332 ( -4.801 7.131 -2.163) 8.865 9.870 ( 1.764 -9.415 1.721) 9.733 14.041 ( 6.835 -9.973 -0.179) 12.092 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 2.909 -17.406 -10.702) 20.639 3.698 ( -10.762 13.516 -6.592) 18.492 3.877 ( -10.584 9.076 7.210) 15.696 4.326 ( -6.068 -1.561 3.186) 7.029 5.579 ( 2.984 3.806 -3.957) 6.249 6.054 ( -4.209 -6.373 5.879) 9.638 7.435 ( -13.520 13.683 1.433) 19.289 7.994 ( 15.205 11.851 8.973) 21.264 8.670 ( -11.082 -4.494 -3.296) 12.404 9.191 ( -11.384 1.433 -2.088) 11.662 10.047 ( 18.787 1.019 -3.969) 19.228 14.060 ( 6.721 -9.099 1.594) 11.424 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -1.524 -17.728 -12.343) 21.655 3.559 ( -17.732 11.340 -7.125) 22.221 3.780 ( -12.809 7.479 7.906) 16.808 4.186 ( -8.005 -4.573 3.531) 9.873 5.640 ( -1.435 3.938 -7.317) 8.432 5.882 ( -7.809 -8.849 10.445) 15.760 7.350 ( -12.123 11.283 1.719) 16.650 8.264 ( -3.788 -7.401 2.324) 8.632 8.541 ( 6.034 11.663 1.026) 13.171 9.017 ( -8.204 0.524 1.926) 8.443 10.403 ( 22.508 2.271 -8.029) 24.005 14.127 ( 8.731 -5.315 4.078) 11.005 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -5.898 -16.068 -11.684) 20.724 3.252 ( -25.651 7.420 -5.632) 27.290 3.659 ( -12.007 5.795 5.466) 14.409 3.991 ( -10.683 -5.367 4.047) 12.622 5.361 ( -24.419 -5.615 -3.050) 25.242 5.860 ( 3.498 -0.807 5.283) 6.388 7.241 ( -11.648 6.546 0.934) 13.394 8.036 ( -8.566 -5.778 -2.350) 10.596 8.670 ( -5.100 3.547 -2.698) 6.772 9.086 ( 11.020 3.671 8.198) 14.217 10.793 ( 23.850 2.159 -7.633) 25.135 14.296 ( 12.130 -0.728 5.664) 13.407 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -10.195 -10.929 -7.936) 16.922 2.803 ( -30.467 3.540 -3.542) 30.876 3.521 ( -10.948 2.985 2.739) 11.673 3.738 ( -15.449 -3.913 3.332) 16.281 4.782 ( -34.056 -5.338 -1.369) 34.498 5.917 ( 1.268 0.010 1.740) 2.153 7.088 ( -10.950 1.906 0.088) 11.115 7.894 ( -2.034 -2.048 -1.735) 3.368 8.587 ( -4.346 1.265 -0.777) 4.593 9.321 ( 9.196 0.825 3.071) 9.730 11.205 ( 24.094 1.809 -3.706) 24.444 14.550 ( 14.080 1.314 4.327) 14.788 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -13.832 0.000 0.000) 13.832 2.268 ( -32.716 0.000 0.000) 32.716 3.368 ( -9.080 0.000 0.000) 9.080 3.379 ( -26.309 0.000 0.000) 26.309 4.152 ( -33.128 0.000 0.000) 33.128 5.911 ( -1.963 0.000 0.000) 1.963 6.921 ( -9.204 0.000 0.000) 9.204 7.914 ( 5.574 -0.000 -0.000) 5.574 8.555 ( -0.196 0.000 0.000) 0.196 9.432 ( 2.926 -0.000 -0.000) 2.926 11.610 ( 22.341 -0.000 -0.000) 22.341 14.806 ( 13.291 -0.000 -0.000) 13.291 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 11.347 3.517) 11.880 1.445 ( -0.000 25.793 -6.462) 26.591 3.351 ( 0.000 7.610 2.943) 8.160 3.441 ( 0.000 38.107 12.013) 39.955 3.741 ( -0.000 26.368 -8.298) 27.643 5.913 ( 0.000 3.430 1.215) 3.639 6.849 ( 0.000 6.778 2.465) 7.212 7.864 ( -0.000 -10.425 -5.891) 11.975 8.526 ( -0.000 -3.242 -1.533) 3.586 9.332 ( -0.000 2.300 -9.999) 10.260 11.870 ( 0.000 -20.950 6.813) 22.030 14.767 ( -0.000 -3.051 -16.750) 17.026 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 2.032 8.071 6.491) 10.555 1.925 ( 23.717 22.059 -7.890) 33.337 3.425 ( -1.450 10.893 0.857) 11.022 3.748 ( -0.468 19.992 6.117) 20.912 4.159 ( 11.252 36.384 -2.819) 38.188 5.944 ( -1.106 3.481 0.426) 3.677 6.973 ( 4.694 8.009 3.588) 9.952 7.764 ( 1.277 -6.626 -5.770) 8.879 8.495 ( 0.621 -1.897 -2.603) 3.280 9.288 ( -1.235 -2.217 -10.069) 10.384 11.649 ( -3.703 -22.605 8.923) 24.583 14.624 ( -5.537 -4.526 -14.514) 16.180 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 10.445 1.407 8.627) 13.620 2.535 ( 25.771 18.899 -7.890) 32.918 3.533 ( -0.043 14.009 -2.183) 14.178 3.944 ( 0.575 16.177 5.591) 17.125 4.705 ( 14.844 27.965 -2.929) 31.795 5.939 ( -3.452 3.295 -0.158) 4.775 7.187 ( 6.556 11.083 5.339) 13.939 7.748 ( 4.535 -1.884 -5.660) 7.493 8.505 ( 4.118 -0.645 -4.569) 6.184 9.158 ( -5.415 -5.065 -10.091) 12.522 11.374 ( -6.095 -23.610 11.744) 27.065 14.388 ( -9.694 -5.361 -12.704) 16.855 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 13.682 -4.177 6.889) 15.878 3.086 ( 21.434 14.988 -6.939) 27.060 3.677 ( -0.106 17.146 -4.295) 17.676 4.139 ( 1.930 14.129 7.414) 16.073 5.156 ( 14.358 14.288 -7.166) 21.486 5.905 ( -5.002 5.353 1.581) 7.495 7.418 ( 2.522 13.696 5.698) 15.047 7.832 ( 7.856 1.122 -6.788) 10.443 8.608 ( 10.680 0.332 -7.161) 12.863 8.939 ( -10.792 -2.167 -7.724) 13.447 11.060 ( -8.536 -24.258 13.134) 28.876 14.121 ( -8.970 -5.677 -9.929) 14.535 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 13.501 -8.238 2.999) 16.097 3.499 ( 14.837 10.295 -5.879) 18.992 3.827 ( -1.485 18.864 -4.222) 19.388 4.340 ( 1.682 13.286 8.604) 15.918 5.402 ( 9.729 1.371 -12.013) 15.519 5.915 ( -2.909 8.418 4.887) 10.159 7.557 ( -2.754 10.727 2.595) 11.375 7.961 ( 7.292 2.988 -8.904) 11.890 8.669 ( -6.221 2.098 -8.311) 10.592 8.887 ( 9.359 7.659 -0.917) 12.128 10.690 ( -12.278 -23.916 11.373) 29.191 13.921 ( -3.302 -6.736 -5.967) 9.585 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 11.229 -11.043 -1.563) 15.827 3.760 ( 7.944 7.928 -5.837) 12.651 3.963 ( -2.251 16.841 -0.792) 17.009 4.499 ( -1.869 11.508 7.567) 13.899 5.476 ( 4.861 0.308 -11.386) 12.384 5.985 ( 0.698 4.091 4.985) 6.486 7.565 ( -2.156 1.184 -2.024) 3.185 8.043 ( -4.809 14.599 -5.497) 16.324 8.643 ( 0.787 8.879 -2.928) 9.383 9.156 ( 11.147 7.942 -1.572) 13.777 10.259 ( -15.186 -22.016 7.788) 27.856 13.828 ( 3.009 -8.945 -2.553) 9.777 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 7.714 -12.776 -5.552) 15.924 3.897 ( 1.105 9.586 -6.960) 11.898 4.068 ( -2.630 10.881 4.374) 12.018 4.548 ( -6.278 7.802 4.880) 11.139 5.521 ( 2.011 4.915 -8.389) 9.929 6.038 ( 2.193 -2.576 4.920) 5.971 7.549 ( 2.995 -2.589 -1.084) 4.105 8.074 ( -13.044 26.039 1.320) 29.153 8.783 ( 4.520 7.628 -4.928) 10.144 9.380 ( 6.476 6.542 -1.930) 9.406 9.831 ( -11.641 -18.723 4.635) 22.529 13.810 ( 6.603 -10.789 -0.739) 12.670 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 3.622 -13.283 -7.991) 15.919 3.942 ( -4.996 11.742 -7.566) 14.835 4.111 ( -4.394 4.713 8.492) 10.659 4.481 ( -9.853 4.343 1.832) 10.922 5.579 ( 0.925 7.169 -6.040) 9.420 6.038 ( 0.577 -7.013 5.659) 9.030 7.603 ( 3.334 -0.380 2.038) 3.926 8.156 ( -8.114 25.826 5.318) 27.588 8.811 ( -7.117 3.321 -3.906) 8.771 9.366 ( -9.897 -1.451 -2.707) 10.362 9.724 ( 14.324 -6.235 -0.476) 15.629 13.832 ( 8.303 -10.222 0.332) 13.173 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -0.545 -11.970 -8.217) 14.530 3.890 ( -11.355 10.491 -6.688) 16.844 4.079 ( -7.697 2.969 9.981) 12.950 4.316 ( -11.900 0.186 -0.702) 11.922 5.652 ( 1.813 7.080 -5.640) 9.232 5.947 ( -4.984 -9.025 6.890) 12.401 7.618 ( -5.394 4.158 2.310) 7.191 8.296 ( -3.003 7.268 4.687) 9.155 8.675 ( -7.187 9.492 -0.638) 11.923 9.165 ( -10.017 -2.769 -0.997) 10.441 9.998 ( 21.633 -2.173 -5.077) 22.327 13.908 ( 10.367 -6.604 1.478) 12.380 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -4.493 -7.866 -5.695) 10.700 3.690 ( -19.156 5.098 -3.314) 20.098 3.969 ( -14.326 5.575 5.583) 16.355 4.107 ( -8.236 -4.428 -0.542) 9.366 5.658 ( -12.932 2.881 -6.214) 14.633 5.804 ( 1.520 -5.164 7.303) 9.073 7.515 ( -11.815 3.810 1.138) 12.466 8.154 ( -10.887 -3.118 -0.092) 11.325 8.804 ( -1.485 12.722 -1.995) 12.963 8.995 ( -0.052 -5.791 4.389) 7.266 10.363 ( 24.225 -0.453 -4.196) 24.590 14.074 ( 13.084 -2.087 1.867) 13.381 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -7.900 0.000 0.000) 7.900 3.311 ( -26.657 0.000 0.000) 26.657 3.756 ( -13.685 0.000 0.000) 13.685 3.939 ( -9.968 0.000 0.000) 9.968 5.287 ( -26.987 0.000 0.000) 26.987 5.872 ( 4.221 -0.000 -0.000) 4.221 7.313 ( -13.334 0.000 0.000) 13.334 7.968 ( -8.010 0.000 0.000) 8.010 8.705 ( -8.700 0.000 0.000) 8.700 9.149 ( 11.855 -0.000 -0.000) 11.855 10.780 ( 25.124 -0.000 -0.000) 25.124 14.312 ( 14.676 -0.000 -0.000) 14.676 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -0.000 6.890 -2.100) 7.203 1.894 ( -0.000 23.775 -5.233) 24.344 3.538 ( 0.000 8.670 3.317) 9.283 3.935 ( -0.000 15.873 1.275) 15.924 4.440 ( -0.000 37.012 -1.876) 37.059 6.000 ( 0.000 4.673 1.038) 4.787 7.007 ( 0.000 6.261 3.848) 7.349 7.677 ( -0.000 -3.066 -6.637) 7.311 8.472 ( -0.000 -0.086 -2.908) 2.910 9.225 ( -0.000 -4.799 -10.446) 11.496 11.481 ( 0.000 -24.271 9.490) 26.060 14.579 ( -0.000 -4.531 -12.382) 13.185 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 1.516 3.754 -0.514) 4.081 2.291 ( 19.434 20.037 -6.354) 28.627 3.647 ( 1.126 10.545 2.085) 10.808 4.092 ( 0.673 13.851 1.290) 13.927 4.803 ( 5.240 27.057 -3.689) 27.805 6.037 ( -2.169 5.674 1.195) 6.191 7.159 ( 8.493 6.909 5.249) 12.141 7.663 ( 2.192 1.700 -7.019) 7.548 8.455 ( -0.956 0.757 -4.663) 4.820 9.122 ( -0.972 -5.923 -9.610) 11.331 11.249 ( -2.807 -25.077 10.911) 27.492 14.436 ( -6.224 -4.716 -10.664) 13.217 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 7.089 -1.086 1.318) 7.292 2.817 ( 22.767 14.991 -6.647) 28.058 3.809 ( 2.682 14.438 -0.148) 14.686 4.247 ( 2.265 11.123 3.704) 11.940 5.091 ( 6.408 13.667 -7.029) 16.651 6.056 ( -3.659 7.708 2.009) 8.766 7.452 ( 11.398 10.114 7.137) 16.828 7.729 ( 4.405 5.436 -8.192) 10.773 8.430 ( 2.660 -1.942 -8.326) 8.954 9.015 ( -3.035 -1.788 -6.886) 7.734 10.974 ( -5.109 -25.449 12.085) 28.632 14.206 ( -10.165 -4.711 -8.659) 14.160 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 9.749 -5.118 0.570) 11.025 3.278 ( 18.982 9.685 -5.888) 22.109 4.004 ( 1.195 17.512 -1.988) 17.665 4.431 ( 5.031 9.718 6.953) 12.966 5.237 ( 5.771 2.373 -9.964) 11.757 6.082 ( -4.042 8.570 2.960) 9.927 7.681 ( -0.758 6.115 0.945) 6.234 7.870 ( 7.776 10.335 -4.683) 13.756 8.518 ( 14.194 -0.317 -9.241) 16.940 8.947 ( -3.936 5.007 -3.305) 7.175 10.658 ( -7.889 -25.320 11.657) 28.969 13.955 ( -9.551 -5.061 -5.865) 12.298 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 9.536 -7.629 -1.581) 12.314 3.614 ( 13.755 6.023 -4.857) 15.782 4.158 ( -1.736 15.499 -1.098) 15.635 4.642 ( 2.849 10.510 7.990) 13.507 5.306 ( 7.849 -1.159 -11.181) 13.710 6.094 ( -4.492 5.530 3.579) 7.973 7.606 ( -5.636 -1.780 -5.236) 7.896 8.134 ( 7.925 16.045 -2.133) 18.022 8.745 ( 4.543 9.203 -4.014) 11.020 9.006 ( 8.585 5.601 -3.059) 10.697 10.288 ( -11.276 -24.126 9.486) 28.270 13.754 ( -4.917 -6.485 -2.950) 8.657 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 7.355 -8.673 -3.732) 11.969 3.844 ( 9.197 4.681 -4.189) 11.138 4.244 ( -3.412 10.594 1.496) 11.230 4.746 ( -4.442 7.798 5.417) 10.483 5.435 ( 10.088 3.775 -9.747) 14.527 6.059 ( -4.541 -0.088 4.745) 6.568 7.497 ( -1.268 -2.488 -3.472) 4.456 8.416 ( 3.109 20.657 -0.521) 20.896 8.825 ( -2.103 11.410 -3.249) 12.048 9.256 ( 12.294 3.775 -3.094) 13.227 9.877 ( -13.199 -21.576 6.766) 26.183 13.640 ( 0.846 -8.180 -1.029) 8.288 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 4.140 -8.121 -4.701) 10.256 3.997 ( 5.033 5.000 -4.184) 8.236 4.257 ( -5.336 4.534 4.004) 8.066 4.708 ( -8.505 5.072 2.273) 10.160 5.610 ( 5.038 9.926 -8.270) 13.867 5.981 ( -2.269 -7.327 6.438) 10.014 7.508 ( 5.051 -0.958 -0.006) 5.141 8.585 ( -9.022 20.803 3.899) 23.008 8.926 ( 0.978 11.733 -6.833) 13.613 9.424 ( 7.243 -0.990 -2.333) 7.674 9.501 ( -8.418 -16.978 4.128) 19.394 13.613 ( 5.648 -7.853 -0.164) 9.674 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.714 -5.427 -3.603) 6.553 4.083 ( -0.361 7.708 -6.964) 10.395 4.180 ( -6.549 -3.261 8.031) 10.863 4.574 ( -12.745 3.097 0.180) 13.117 5.711 ( -1.731 10.125 -6.374) 12.089 5.908 ( 1.261 -9.889 6.259) 11.771 7.615 ( 6.087 0.077 1.231) 6.211 8.554 ( -13.073 8.526 2.346) 15.783 8.916 ( -10.000 8.125 -0.526) 12.895 9.295 ( -7.947 -2.562 -1.078) 8.419 9.591 ( 19.240 -5.434 -1.897) 20.083 13.680 ( 9.354 -4.415 0.253) 10.346 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -2.299 0.000 0.000) 2.299 3.982 ( -13.080 0.000 0.000) 13.080 4.127 ( -1.167 0.000 0.000) 1.167 4.326 ( -17.458 0.000 0.000) 17.458 5.737 ( 1.214 -0.000 -0.000) 1.214 5.846 ( -5.424 0.000 0.000) 5.424 7.665 ( -2.310 0.000 0.000) 2.310 8.351 ( -13.508 0.000 0.000) 13.508 8.869 ( -0.362 0.000 0.000) 0.362 9.095 ( -12.291 0.000 0.000) 12.291 9.939 ( 23.381 -0.000 -0.000) 23.381 13.845 ( 12.055 -0.000 -0.000) 12.055 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -0.000 2.418 -7.467) 7.849 2.295 ( -0.000 19.745 -3.668) 20.083 3.735 ( 0.000 8.500 3.200) 9.083 4.217 ( -0.000 12.518 -0.669) 12.536 4.984 ( -0.000 19.581 -4.727) 20.144 6.123 ( 0.000 6.775 1.012) 6.850 7.138 ( 0.000 3.372 5.055) 6.076 7.659 ( -0.000 6.569 -7.294) 9.816 8.488 ( -0.000 4.350 -4.276) 6.099 9.019 ( -0.000 -7.708 -8.475) 11.456 11.063 ( 0.000 -25.240 10.742) 27.431 14.410 ( -0.000 -4.255 -8.941) 9.902 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 1.973 -0.216 -6.554) 6.848 2.607 ( 15.289 15.500 -4.088) 22.152 3.866 ( 4.196 9.569 2.425) 10.726 4.332 ( 0.557 9.886 -0.075) 9.902 5.127 ( 1.311 10.298 -5.954) 11.967 6.179 ( -1.438 6.921 0.312) 7.076 7.306 ( 13.318 3.571 5.728) 14.931 7.730 ( 1.390 10.591 -8.116) 13.415 8.451 ( -6.468 2.455 -5.789) 9.020 8.955 ( 3.297 -4.296 -5.455) 7.686 10.835 ( -2.625 -24.517 10.746) 26.897 14.283 ( -6.445 -3.817 -7.254) 10.427 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 5.750 -3.034 -4.145) 7.711 3.024 ( 18.897 10.009 -4.237) 21.800 4.087 ( 7.103 12.926 0.806) 14.772 4.442 ( 3.229 6.210 2.314) 7.372 5.183 ( 0.551 2.915 -6.860) 7.474 6.216 ( -1.957 5.951 0.043) 6.264 7.663 ( 15.610 6.247 5.561) 17.709 7.837 ( 3.008 10.700 -8.175) 13.798 8.337 ( -1.127 -0.121 -7.416) 7.503 8.984 ( 2.477 1.503 -2.916) 4.111 10.569 ( -5.448 -23.191 10.180) 25.906 14.073 ( -10.514 -3.446 -5.187) 12.220 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 7.556 -4.675 -2.926) 9.355 3.392 ( 16.491 5.531 -3.522) 17.746 4.307 ( 1.290 13.388 -1.017) 13.488 4.629 ( 10.859 5.379 6.244) 13.632 5.169 ( 1.093 -1.306 -8.143) 8.319 6.224 ( -3.155 3.948 0.546) 5.083 7.708 ( -8.947 1.920 -5.647) 10.753 8.120 ( 11.485 12.003 2.401) 16.785 8.503 ( 20.786 4.748 -6.812) 22.383 9.025 ( -0.052 3.879 -1.919) 4.328 10.263 ( -8.821 -21.282 8.681) 24.619 13.836 ( -10.742 -3.575 -2.923) 11.693 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 6.979 -4.815 -2.538) 8.850 3.674 ( 13.068 2.983 -2.508) 13.637 4.392 ( -2.545 8.010 0.139) 8.406 4.872 ( 2.178 6.767 7.357) 10.231 5.203 ( 11.851 -1.251 -9.434) 15.199 6.182 ( -5.628 1.678 1.703) 6.115 7.535 ( -7.402 -0.981 -3.969) 8.457 8.435 ( 10.986 13.788 -0.722) 17.644 8.918 ( 14.544 8.467 -0.421) 16.834 9.056 ( 4.333 2.337 -4.591) 6.732 9.912 ( -12.214 -18.637 6.676) 23.261 13.631 ( -7.254 -4.095 -1.146) 8.409 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 4.958 -3.378 -1.911) 6.296 3.885 ( 9.808 1.604 -1.455) 10.044 4.391 ( -4.329 3.306 0.888) 5.519 4.874 ( -6.045 2.337 2.077) 6.805 5.461 ( 16.238 3.123 -4.318) 17.090 6.069 ( -8.837 -1.036 2.293) 9.188 7.448 ( -0.125 -0.683 -1.219) 1.402 8.771 ( 11.720 13.844 -0.139) 18.139 8.982 ( -3.821 2.977 -1.294) 5.014 9.289 ( 10.072 4.346 -3.604) 11.547 9.539 ( -13.251 -15.378 4.876) 20.877 13.514 ( -1.259 -3.398 -0.254) 3.632 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 2.619 -0.000 -0.000) 2.619 4.031 ( 6.525 -0.000 -0.000) 6.525 4.314 ( -6.762 0.000 0.000) 6.762 4.768 ( -8.306 0.000 0.000) 8.306 5.719 ( 11.542 -0.000 -0.000) 11.542 5.896 ( -9.642 0.000 0.000) 9.642 7.501 ( 6.070 -0.000 -0.000) 6.070 8.830 ( -11.464 0.000 0.000) 11.464 9.164 ( 18.723 -0.000 -0.000) 18.723 9.181 ( -14.990 0.000 0.000) 14.990 9.406 ( 0.071 -0.000 -0.000) 0.071 13.530 ( 5.126 -0.000 -0.000) 5.126 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -0.000 -1.339 -10.670) 10.754 2.608 ( -0.000 13.777 -2.228) 13.956 3.912 ( 0.000 6.977 2.561) 7.432 4.417 ( -0.000 8.220 -1.095) 8.293 5.179 ( -0.000 5.846 -5.031) 7.713 6.244 ( -0.000 4.636 -1.799) 4.972 7.216 ( 0.000 0.777 4.970) 5.031 7.817 ( -0.000 14.753 -8.305) 16.930 8.567 ( -0.000 6.439 -4.418) 7.809 8.822 ( -0.000 -7.906 -2.387) 8.259 10.664 ( 0.000 -22.001 9.403) 23.926 14.281 ( -0.000 -3.103 -5.841) 6.614 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 2.808 -2.577 -8.612) 9.417 2.832 ( 12.226 9.473 -2.165) 15.617 4.050 ( 7.391 6.922 1.922) 10.308 4.481 ( -0.022 5.558 -0.590) 5.589 5.195 ( -0.833 2.204 -4.306) 4.909 6.268 ( -0.187 2.647 -2.446) 3.609 7.390 ( 16.875 1.130 4.534) 17.510 7.937 ( -1.038 16.208 -9.466) 18.799 8.451 ( -11.257 0.225 -2.377) 11.507 8.873 ( 8.792 -2.361 -0.654) 9.127 10.470 ( -3.121 -18.447 7.858) 20.293 14.177 ( -6.451 -2.405 -4.202) 8.066 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 5.843 -2.872 -4.695) 8.027 3.148 ( 16.130 4.930 -1.945) 16.979 4.312 ( 12.472 8.736 0.681) 15.242 4.530 ( 2.337 1.536 1.179) 3.035 5.162 ( -2.375 -0.002 -3.793) 4.475 6.275 ( -0.429 1.329 -1.656) 2.167 7.801 ( 20.529 3.444 5.406) 21.507 7.958 ( -4.588 7.028 -9.317) 12.539 8.347 ( 1.528 4.694 -2.616) 5.587 8.987 ( 5.784 -0.856 -0.030) 5.847 10.249 ( -6.888 -14.117 5.854) 16.763 13.992 ( -10.795 -1.800 -2.402) 11.204 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 6.855 -1.992 -1.809) 7.364 3.447 ( 15.206 1.820 -1.135) 15.356 4.489 ( -1.279 5.053 -0.595) 5.247 4.742 ( 19.634 2.070 3.591) 20.066 5.091 ( -3.360 -1.244 -3.893) 5.291 6.263 ( -2.003 0.638 -0.299) 2.123 7.709 ( -13.811 1.032 -2.231) 14.028 8.307 ( 18.806 4.189 1.785) 19.349 8.577 ( 20.557 5.468 -4.076) 21.659 9.048 ( 2.175 -0.597 0.171) 2.262 9.998 ( -11.176 -8.675 3.337) 14.536 13.772 ( -11.711 -1.295 -0.872) 11.814 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 6.126 -0.000 -0.000) 6.126 3.694 ( 12.856 -0.000 -0.000) 12.856 4.472 ( -2.925 0.000 0.000) 2.925 4.989 ( -5.454 0.000 0.000) 5.454 5.135 ( 21.200 -0.000 -0.000) 21.200 6.203 ( -5.738 0.000 0.000) 5.738 7.512 ( -8.106 0.000 0.000) 8.106 8.591 ( 13.790 -0.000 -0.000) 13.790 9.014 ( 23.327 -0.000 -0.000) 23.327 9.050 ( -1.752 0.000 0.000) 1.752 9.731 ( -14.965 0.000 0.000) 14.965 13.585 ( -8.364 0.000 0.000) 8.364 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.000 -2.505 -8.589) 8.947 2.801 ( -0.000 6.924 -1.034) 7.001 4.038 ( 0.000 3.987 1.427) 4.234 4.528 ( -0.000 3.845 -0.903) 3.950 5.207 ( -0.000 1.070 -2.685) 2.890 6.273 ( -0.000 0.796 -2.847) 2.957 7.252 ( 0.000 -0.071 3.090) 3.091 8.087 ( -0.000 18.478 -9.349) 20.709 8.647 ( 0.000 -11.542 4.645) 12.442 8.653 ( -0.000 4.480 -2.796) 5.280 10.368 ( 0.000 -12.703 5.371) 13.791 14.201 ( -0.000 -1.604 -2.896) 3.311 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 3.641 -1.600 -4.179) 5.769 2.947 ( 10.655 3.143 -0.665) 11.129 4.156 ( 9.574 2.553 0.733) 9.936 4.548 ( -0.539 1.710 -0.350) 1.827 5.192 ( -1.669 0.225 -1.453) 2.224 6.272 ( 0.397 0.164 -1.576) 1.634 7.426 ( 18.602 0.196 1.749) 18.685 8.191 ( -7.165 15.343 -9.183) 19.263 8.396 ( -7.001 -7.263 4.610) 11.091 8.831 ( 10.101 -1.687 0.449) 10.251 10.256 ( -3.750 -6.665 2.805) 8.146 14.125 ( -6.408 -0.814 -1.378) 6.605 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 6.160 -0.000 -0.000) 6.160 3.190 ( 15.184 -0.000 -0.000) 15.184 4.413 ( 17.886 -0.000 -0.000) 17.886 4.540 ( -1.241 0.000 0.000) 1.241 5.146 ( -3.378 0.000 0.000) 3.378 6.276 ( 0.138 -0.000 -0.000) 0.138 7.861 ( 29.485 -0.000 -0.000) 29.485 7.985 ( -17.053 0.000 0.000) 17.053 8.407 ( 5.700 -0.000 -0.000) 5.700 8.966 ( 6.560 -0.000 -0.000) 6.560 10.129 ( -7.803 0.000 0.000) 7.803 13.966 ( -10.907 0.000 0.000) 10.907 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 -0.000 0.000) 0.000 8.461 ( -0.000 0.000 -0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 10.261 ( 0.000 -0.000 0.000) 0.000 14.174 ( 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: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.247 ( 0.000 -0.000 21.646) 21.646 0.247 ( 0.000 -0.000 21.646) 21.646 0.439 ( 0.000 -0.000 38.512) 38.512 3.069 ( -0.000 0.000 -1.033) 1.033 3.069 ( -0.000 0.000 -1.033) 1.033 6.618 ( 0.000 -0.000 1.127) 1.127 6.618 ( 0.000 -0.000 1.127) 1.127 7.426 ( -0.000 0.000 -4.557) 4.557 8.693 ( -0.000 0.000 -0.908) 0.908 8.693 ( -0.000 0.000 -0.908) 0.908 12.501 ( 0.000 -0.000 2.236) 2.236 13.415 ( -0.000 0.000 -1.057) 1.057 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 16.647 9.611 20.384) 28.019 0.789 ( 23.115 13.346 16.433) 31.344 1.117 ( 43.822 25.301 6.491) 51.016 3.060 ( 0.683 0.395 -2.940) 3.044 3.239 ( 8.837 5.102 -3.016) 10.641 5.889 ( -6.883 -3.974 12.134) 14.505 6.649 ( 2.197 1.269 1.652) 3.028 8.457 ( -6.818 -3.936 -7.188) 10.660 8.658 ( -2.395 -1.383 -1.553) 3.172 8.921 ( 24.003 13.858 -24.423) 36.941 12.435 ( -6.779 -3.914 3.754) 8.682 14.639 ( 31.315 18.080 -56.757) 67.297 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 17.500 10.104 16.633) 26.173 1.385 ( 23.709 13.689 13.982) 30.741 2.138 ( 42.505 24.540 -0.646) 49.085 3.078 ( 2.136 1.233 -4.557) 5.181 3.498 ( 15.063 8.697 -0.642) 17.405 5.864 ( 0.006 0.003 2.965) 2.965 6.730 ( 4.218 2.435 2.109) 5.307 8.231 ( -9.289 -5.363 -0.551) 10.740 8.581 ( -3.482 -2.010 -2.069) 4.522 9.235 ( 11.203 6.468 -13.028) 18.360 12.236 ( -11.950 -6.899 6.358) 15.193 14.773 ( 1.219 0.704 -30.854) 30.886 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 17.615 10.170 12.752) 24.006 1.969 ( 22.836 13.185 12.216) 29.061 2.980 ( 30.521 17.621 -3.700) 35.436 3.120 ( 3.152 1.820 -5.852) 6.892 3.958 ( 25.622 14.793 1.332) 29.616 5.870 ( -0.176 -0.102 -1.550) 1.564 6.849 ( 5.044 2.912 2.403) 6.301 8.070 ( -4.495 -2.595 1.919) 5.534 8.502 ( -2.102 -1.213 -2.324) 3.360 9.341 ( 1.403 0.810 -10.668) 10.791 11.956 ( -15.021 -8.672 10.611) 20.333 14.586 ( -7.194 -4.153 -23.342) 24.776 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 16.085 9.287 9.224) 20.738 2.509 ( 20.339 11.743 10.561) 25.751 3.173 ( 3.459 1.997 -6.770) 7.860 3.510 ( 18.554 10.712 -4.122) 21.818 4.632 ( 30.666 17.705 1.045) 35.426 5.832 ( -2.118 -1.223 -4.861) 5.441 6.958 ( 3.241 1.871 2.505) 4.503 8.055 ( 2.386 1.377 3.869) 4.750 8.492 ( 2.416 1.395 -2.265) 3.594 9.197 ( -10.184 -5.880 -13.155) 17.645 11.633 ( -17.572 -10.145 14.409) 24.886 14.330 ( -6.928 -4.000 -19.066) 20.677 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 13.149 7.591 5.199) 16.048 2.967 ( 16.198 9.352 9.178) 20.835 3.223 ( 3.169 1.829 -7.354) 8.214 3.851 ( 12.974 7.490 -2.488) 15.186 5.281 ( 25.014 14.442 -1.412) 28.918 5.743 ( -3.594 -2.075 -5.852) 7.175 7.005 ( 0.080 0.046 2.501) 2.503 8.206 ( 9.092 5.249 4.019) 11.241 8.600 ( 7.399 4.272 -2.055) 8.788 8.797 ( -19.052 -11.000 -14.985) 26.618 11.243 ( -21.393 -12.351 13.390) 28.098 14.171 ( -1.332 -0.769 -12.689) 12.782 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 9.173 5.296 0.184) 10.594 3.259 ( 2.144 1.238 -4.225) 4.897 3.312 ( 11.324 6.538 4.943) 13.979 4.098 ( 9.088 5.247 -0.009) 10.494 5.629 ( -1.632 -0.942 -10.438) 10.607 5.755 ( 14.667 8.468 2.177) 17.075 6.993 ( -1.545 -0.892 2.419) 3.006 8.256 ( -18.219 -10.519 -15.261) 25.990 8.504 ( 11.465 6.619 5.242) 14.239 8.786 ( 8.682 5.013 -1.923) 10.208 10.766 ( -23.294 -13.449 8.704) 28.271 14.163 ( 3.050 1.761 -6.107) 7.049 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 4.351 2.512 -5.652) 7.562 3.279 ( 1.353 0.781 -5.944) 6.146 3.527 ( 5.511 3.182 6.365) 9.001 4.265 ( 5.035 2.907 2.632) 6.382 5.557 ( -1.110 -0.641 -6.444) 6.571 6.024 ( 8.205 4.737 0.367) 9.481 6.966 ( -1.417 -0.818 2.158) 2.708 7.850 ( -10.896 -6.291 -7.419) 14.606 8.810 ( 11.909 6.875 1.606) 13.844 8.950 ( 5.704 3.293 -1.889) 6.851 10.290 ( -19.073 -11.012 4.486) 22.475 14.226 ( 3.159 1.824 -2.218) 4.269 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -0.872 -0.503 -11.147) 11.193 3.271 ( -0.166 -0.096 -6.585) 6.587 3.615 ( 0.068 0.039 7.027) 7.028 4.342 ( 0.339 0.196 4.681) 4.697 5.537 ( 1.198 0.691 -4.932) 5.122 6.141 ( 1.481 0.855 3.277) 3.696 6.950 ( -0.513 -0.296 1.744) 1.842 7.761 ( 4.443 2.565 2.378) 5.654 8.957 ( -1.379 -0.796 -2.745) 3.174 9.014 ( 0.346 0.200 -1.850) 1.893 10.029 ( -2.162 -1.248 1.389) 2.857 14.270 ( 0.959 0.554 -0.261) 1.138 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -5.670 -3.274 -14.906) 16.281 3.208 ( -3.343 -1.930 -8.695) 9.514 3.595 ( -3.987 -2.302 8.811) 9.941 4.316 ( -4.262 -2.461 6.101) 7.839 5.569 ( 2.783 1.607 -4.701) 5.694 6.111 ( -5.929 -3.423 6.954) 9.758 6.956 ( 0.481 0.278 1.354) 1.463 8.052 ( 17.763 10.256 9.974) 22.808 8.734 ( -14.052 -8.113 -5.233) 17.048 8.952 ( -4.977 -2.873 -1.696) 5.991 10.195 ( 14.319 8.267 -3.421) 16.884 14.277 ( -0.234 -0.135 1.952) 1.971 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -9.711 -5.607 -16.633) 20.060 3.030 ( -9.287 -5.362 -11.216) 15.517 3.520 ( -5.304 -3.062 10.179) 11.880 4.197 ( -8.296 -4.790 7.259) 12.020 5.572 ( -3.520 -2.032 -7.310) 8.363 5.954 ( -8.420 -4.861 11.184) 14.819 6.977 ( 0.755 0.436 1.068) 1.379 8.356 ( -12.661 -7.310 -7.807) 16.573 8.589 ( 20.575 11.879 13.123) 27.141 8.793 ( -7.843 -4.528 -1.312) 9.151 10.563 ( 18.746 10.823 -8.061) 23.098 14.302 ( 1.925 1.111 5.485) 5.918 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -13.127 -7.579 -16.738) 22.581 2.696 ( -15.843 -9.147 -12.380) 22.089 3.436 ( -5.302 -3.061 9.369) 11.192 3.992 ( -12.284 -7.092 8.415) 16.493 5.230 ( -23.142 -13.361 -4.734) 27.139 5.910 ( -0.042 -0.024 7.534) 7.535 6.984 ( -0.847 -0.489 0.721) 1.215 8.063 ( -8.604 -4.967 -8.065) 12.796 8.617 ( -6.435 -3.715 -0.615) 7.456 9.088 ( 16.983 9.805 9.057) 21.601 10.970 ( 19.609 11.322 -9.032) 24.378 14.426 ( 6.685 3.859 8.692) 11.624 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -15.850 -9.151 -15.326) 23.872 2.227 ( -20.613 -11.901 -12.831) 27.040 3.347 ( -5.289 -3.054 7.521) 9.688 3.687 ( -18.162 -10.486 10.043) 23.252 4.570 ( -31.280 -18.060 -4.077) 36.349 5.929 ( -0.784 -0.452 3.383) 3.502 6.932 ( -3.909 -2.257 0.242) 4.520 7.931 ( -0.277 -0.160 -6.915) 6.922 8.521 ( -1.623 -0.937 0.198) 1.885 9.391 ( 7.333 4.234 3.005) 8.985 11.392 ( 19.597 11.314 -5.722) 23.340 14.660 ( 10.221 5.901 8.637) 14.625 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -17.630 -10.179 -11.911) 23.586 1.673 ( -23.271 -13.435 -12.695) 29.719 3.164 ( -33.139 -19.133 11.412) 39.931 3.254 ( -4.878 -2.816 5.423) 7.819 3.890 ( -23.742 -13.707 -4.763) 27.826 5.894 ( -2.747 -1.586 0.690) 3.246 6.821 ( -5.362 -3.096 -0.001) 6.191 7.992 ( 7.192 4.152 -4.887) 9.635 8.537 ( 2.375 1.371 0.575) 2.803 9.461 ( -1.022 -0.590 -0.500) 1.282 11.809 ( 17.698 10.218 -1.873) 20.522 14.924 ( 10.042 5.798 4.376) 12.394 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -18.345 -10.591 -4.965) 21.757 1.081 ( -24.265 -14.009 -11.462) 30.272 2.278 ( -45.751 -26.414 10.323) 53.827 3.170 ( -3.828 -2.210 3.255) 5.490 3.472 ( -12.801 -7.390 -3.199) 15.123 5.827 ( -2.825 -1.631 0.385) 3.285 6.708 ( -4.220 -2.437 0.179) 4.877 8.199 ( 11.705 6.758 -3.325) 13.919 8.609 ( 3.322 1.918 0.341) 3.851 9.361 ( -6.972 -4.025 -3.055) 8.611 12.167 ( 13.446 7.763 0.600) 15.538 15.121 ( 6.555 3.785 -5.809) 9.541 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 0.000 19.526 4.892) 20.129 0.705 ( 0.000 9.736 25.305) 27.113 1.388 ( 0.000 52.786 15.991) 55.155 3.112 ( -0.000 3.771 -0.038) 3.771 3.180 ( -0.000 8.876 -6.147) 10.797 5.927 ( 0.000 -11.737 12.691) 17.286 6.650 ( 0.000 2.329 1.721) 2.896 8.375 ( -0.000 -3.963 -12.785) 13.385 8.666 ( -0.000 -2.188 -1.168) 2.481 8.853 ( -0.000 27.955 -21.598) 35.326 12.448 ( 0.000 -8.068 4.351) 9.166 14.447 ( -0.000 42.778 -51.480) 66.934 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 18.719 3.696 22.562) 29.548 1.130 ( 26.972 17.194 2.412) 32.077 2.067 ( 12.582 49.668 9.903) 52.185 3.112 ( -2.576 6.603 -2.505) 7.517 3.365 ( 10.321 9.948 -2.972) 14.639 5.880 ( -0.768 -2.081 5.196) 5.649 6.712 ( 2.621 3.737 2.261) 5.094 8.231 ( -2.651 -12.701 -4.269) 13.659 8.611 ( -2.478 -2.312 -1.642) 3.766 9.100 ( 8.233 15.316 -16.493) 23.967 12.319 ( -5.655 -11.436 6.186) 14.179 14.642 ( 4.393 12.476 -35.868) 38.229 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 20.106 1.550 19.029) 27.726 1.782 ( 25.907 17.899 2.115) 31.560 2.790 ( 17.121 34.087 1.506) 38.175 3.154 ( -0.814 10.656 -1.939) 10.862 3.727 ( 19.263 15.431 -0.798) 24.695 5.875 ( -0.622 0.204 0.324) 0.730 6.826 ( 3.984 5.510 2.845) 7.371 8.058 ( -1.701 -10.299 -1.451) 10.539 8.539 ( -2.868 -0.701 -2.073) 3.607 9.259 ( 4.501 4.221 -12.328) 13.786 12.092 ( -9.321 -13.558 9.700) 19.100 14.572 ( -4.783 0.432 -26.479) 26.911 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 20.486 -0.138 13.036) 24.282 2.374 ( 20.578 18.863 3.192) 28.098 3.152 ( 3.686 8.911 -8.160) 12.633 3.402 ( 9.273 21.422 3.207) 23.562 4.327 ( 27.453 21.381 0.254) 34.797 5.847 ( -2.305 -0.094 -3.187) 3.934 6.964 ( 2.983 6.851 3.295) 8.166 7.985 ( 3.434 -6.351 0.321) 7.227 8.505 ( -0.821 2.863 -2.015) 3.596 9.217 ( -4.329 -4.430 -13.002) 14.402 11.814 ( -11.816 -15.056 13.930) 23.672 14.344 ( -8.055 -2.878 -21.606) 23.238 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 18.977 -2.884 7.030) 20.442 2.878 ( 15.203 18.113 2.592) 23.789 3.245 ( 0.716 9.844 -6.509) 11.823 3.750 ( 9.341 14.235 2.075) 17.152 4.995 ( 25.802 18.217 -2.176) 31.660 5.772 ( -3.938 -0.712 -4.274) 5.855 7.068 ( -0.852 7.502 3.408) 8.284 8.056 ( 9.786 -2.883 0.461) 10.212 8.569 ( 3.161 7.233 -1.146) 7.976 8.929 ( -13.998 -9.361 -15.030) 22.572 11.477 ( -16.118 -16.840 14.678) 27.547 14.136 ( -3.609 -2.363 -15.658) 16.241 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 16.168 -6.391 0.617) 17.397 3.252 ( 6.874 15.942 -4.388) 17.907 3.343 ( 1.809 11.471 1.262) 11.681 4.026 ( 7.653 10.145 3.203) 13.106 5.485 ( 15.143 7.570 -11.332) 20.372 5.710 ( -0.066 3.109 2.792) 4.179 7.111 ( -4.743 8.857 3.210) 10.547 8.208 ( 7.784 -6.723 -7.072) 12.482 8.511 ( -11.894 -4.318 -4.955) 13.589 8.755 ( 5.803 10.950 -2.955) 12.740 11.031 ( -20.944 -17.808 10.652) 29.483 14.072 ( 3.370 -1.673 -8.375) 9.181 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 12.511 -9.995 -5.755) 17.016 3.372 ( -2.768 14.256 -8.596) 16.875 3.561 ( 3.721 11.471 6.482) 13.691 4.234 ( 4.972 6.746 4.678) 9.598 5.527 ( 0.071 -1.274 -10.376) 10.454 5.924 ( 9.754 6.571 2.575) 12.040 7.122 ( -7.000 12.049 3.058) 14.267 7.930 ( -12.135 -10.683 -10.724) 19.401 8.612 ( 12.898 2.454 0.729) 13.150 8.965 ( 4.932 12.569 -1.338) 13.568 10.521 ( -21.099 -16.556 6.130) 27.511 14.123 ( 6.510 -2.687 -3.381) 7.812 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 8.362 -13.095 -11.102) 19.096 3.409 ( -5.862 14.359 -8.273) 17.578 3.706 ( -1.473 8.860 6.954) 11.359 4.357 ( 1.376 2.847 5.578) 6.412 5.493 ( 1.235 -0.271 -7.224) 7.334 6.107 ( 5.238 2.168 2.843) 6.342 7.134 ( -9.349 15.757 2.801) 18.535 7.713 ( 0.180 -3.962 -1.399) 4.206 8.812 ( 8.301 -1.794 -2.815) 8.947 9.130 ( -0.421 11.549 -2.003) 11.729 10.094 ( -11.595 -11.502 3.421) 16.687 14.187 ( 5.731 -4.567 -1.131) 7.415 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 4.009 -15.524 -14.802) 21.822 3.386 ( -9.471 13.673 -8.982) 18.903 3.741 ( -6.358 6.447 8.033) 12.104 4.377 ( -2.478 -1.140 6.035) 6.623 5.512 ( 3.052 1.324 -5.815) 6.699 6.162 ( -0.813 -2.284 5.415) 5.933 7.125 ( -10.145 14.796 2.314) 18.089 7.873 ( 15.376 5.089 7.436) 17.822 8.783 ( -5.201 -7.934 -4.862) 10.660 9.107 ( -9.796 5.575 -3.327) 11.752 10.025 ( 9.172 0.019 -0.025) 9.172 14.218 ( 4.206 -5.616 0.430) 7.030 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -0.233 -17.337 -16.575) 23.987 3.273 ( -14.915 12.143 -10.425) 21.877 3.689 ( -9.155 4.316 9.088) 13.603 4.300 ( -5.940 -4.284 6.611) 9.866 5.558 ( 1.716 1.886 -6.681) 7.151 6.072 ( -7.101 -6.391 8.733) 12.944 7.109 ( -8.192 11.973 2.354) 14.696 8.317 ( 22.010 7.843 9.872) 25.365 8.488 ( -13.652 -9.793 -6.516) 18.020 8.964 ( -9.974 3.758 -1.449) 10.757 10.299 ( 18.233 5.364 -5.088) 19.675 14.245 ( 4.852 -4.421 2.859) 7.159 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -4.214 -18.524 -16.447) 25.128 3.024 ( -22.086 9.770 -11.345) 26.683 3.597 ( -9.397 2.746 8.669) 13.076 4.142 ( -9.388 -6.494 7.371) 13.588 5.446 ( -14.073 -4.590 -7.144) 16.436 5.943 ( -2.707 -4.260 9.416) 10.684 7.090 ( -6.984 8.189 2.155) 10.976 8.147 ( -11.752 -7.050 -7.402) 15.576 8.640 ( 2.239 -2.469 -0.771) 3.421 8.977 ( 8.685 10.699 7.384) 15.634 10.677 ( 21.160 6.610 -6.975) 23.239 14.342 ( 8.177 -1.154 5.414) 9.875 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -7.923 -18.666 -14.271) 24.797 2.633 ( -28.217 7.843 -11.280) 31.384 3.489 ( -8.906 1.276 6.750) 11.248 3.903 ( -13.645 -8.319 8.292) 18.004 4.944 ( -30.128 -11.381 -3.952) 32.447 5.942 ( 0.385 -1.189 4.332) 4.509 7.034 ( -7.410 3.461 1.525) 8.320 7.926 ( -4.581 -2.775 -6.841) 8.688 8.562 ( -3.881 -0.487 -1.531) 4.200 9.285 ( 10.923 4.701 2.912) 12.243 11.100 ( 22.568 7.133 -4.234) 24.044 14.540 ( 11.574 1.826 5.432) 12.915 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -11.361 -16.560 -9.149) 22.069 2.145 ( -32.066 7.341 -10.280) 34.464 3.367 ( -8.306 -0.697 3.967) 9.231 3.547 ( -22.321 -10.923 9.927) 26.760 4.247 ( -33.611 -10.295 -3.961) 35.375 5.927 ( -2.014 -1.238 1.239) 2.669 6.920 ( -7.967 0.069 0.918) 8.020 7.893 ( 4.149 1.098 -5.046) 6.625 8.530 ( -0.051 1.555 -0.528) 1.643 9.434 ( 3.693 0.183 -1.751) 4.091 11.544 ( 21.855 6.408 -0.372) 22.778 14.786 ( 12.201 2.341 1.262) 12.488 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -14.548 -9.153 0.817) 17.207 1.621 ( -33.584 8.230 -7.434) 35.368 2.887 ( -41.585 -14.553 7.956) 44.770 3.252 ( -6.863 -1.888 2.309) 7.483 3.689 ( -20.994 -3.049 -3.160) 21.448 5.870 ( -3.192 -0.851 0.526) 3.346 6.789 ( -6.828 -0.662 0.829) 6.910 8.033 ( 10.754 3.118 -3.172) 11.637 8.570 ( 2.692 1.197 -0.325) 2.964 9.417 ( -3.445 -1.191 -4.310) 5.645 11.952 ( 18.672 4.054 2.155) 19.228 14.981 ( 9.358 0.548 -7.691) 12.125 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.000 23.591 -0.503) 23.597 1.056 ( 0.000 8.179 18.826) 20.526 2.537 ( 0.000 52.054 11.035) 53.211 3.217 ( -0.000 6.453 0.847) 6.508 3.356 ( -0.000 13.885 -6.381) 15.281 5.887 ( 0.000 -0.852 4.357) 4.440 6.738 ( 0.000 5.026 2.456) 5.595 8.094 ( -0.000 -13.753 -5.468) 14.800 8.594 ( -0.000 -3.769 -1.643) 4.111 9.132 ( -0.000 14.393 -15.023) 20.805 12.257 ( 0.000 -15.150 6.933) 16.661 14.615 ( -0.000 11.704 -31.378) 33.490 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 9.925 5.582 19.167) 22.294 1.483 ( 25.767 19.205 -3.345) 32.310 3.049 ( -1.455 37.356 3.472) 37.545 3.307 ( 0.693 17.141 3.882) 17.588 3.597 ( 13.046 17.168 -4.532) 22.033 5.897 ( -0.654 1.142 1.625) 2.091 6.835 ( 3.257 6.692 3.149) 8.081 7.941 ( 0.118 -12.392 -4.329) 13.127 8.541 ( -0.762 -3.176 -2.267) 3.976 9.211 ( 1.850 6.470 -12.626) 14.308 12.086 ( -4.120 -17.645 9.182) 20.314 14.566 ( -3.205 3.791 -25.546) 26.024 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 15.617 -0.345 16.031) 22.383 2.134 ( 27.802 18.568 -3.472) 33.613 3.225 ( -1.810 15.835 -6.097) 17.064 3.581 ( 1.042 23.362 6.721) 24.332 4.130 ( 22.192 26.553 -1.269) 34.629 5.887 ( -2.407 1.560 -1.157) 3.093 6.998 ( 4.435 9.307 4.264) 11.157 7.844 ( 2.957 -8.782 -3.121) 9.778 8.507 ( 0.946 -0.908 -3.198) 3.456 9.191 ( -2.319 -1.728 -12.027) 12.370 11.850 ( -6.655 -19.355 12.647) 24.060 14.387 ( -8.227 -0.795 -21.316) 22.862 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 17.044 -4.308 9.467) 19.967 2.741 ( 22.720 17.491 -1.513) 28.713 3.329 ( -0.687 15.042 -7.818) 16.967 3.842 ( 2.631 18.513 6.382) 19.758 4.763 ( 22.472 21.926 -3.114) 31.551 5.837 ( -4.337 1.791 -2.062) 5.125 7.179 ( 1.657 11.782 5.025) 12.916 7.856 ( 7.702 -5.008 -3.131) 9.706 8.551 ( 5.123 2.887 -3.971) 7.095 8.997 ( -9.871 -6.468 -12.367) 17.094 11.565 ( -9.738 -21.013 14.682) 27.422 14.150 ( -7.884 -2.151 -16.660) 18.556 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 15.872 -7.800 2.497) 17.860 3.236 ( 15.951 15.514 0.500) 22.257 3.439 ( -1.055 16.179 -8.317) 18.222 4.086 ( 3.091 15.314 7.057) 17.143 5.251 ( 16.907 10.125 -9.354) 21.814 5.789 ( -3.357 4.821 1.593) 6.086 7.310 ( -3.051 13.308 4.539) 14.388 7.961 ( 10.225 -4.259 -5.938) 12.567 8.659 ( -7.965 -4.421 -13.888) 16.609 8.729 ( 2.927 7.554 0.816) 8.143 11.192 ( -15.211 -21.926 12.414) 29.432 13.989 ( -1.444 -2.956 -10.200) 10.717 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 13.151 -10.698 -4.034) 17.426 3.539 ( -0.380 13.898 -8.115) 16.098 3.603 ( 7.237 16.075 2.644) 17.826 4.292 ( 1.641 12.038 7.256) 14.152 5.434 ( 5.261 0.011 -13.126) 14.141 5.881 ( 4.292 7.754 4.918) 10.136 7.387 ( -5.140 14.621 3.502) 15.889 7.950 ( -4.062 -6.839 -11.203) 13.740 8.504 ( 1.290 3.964 -2.628) 4.928 8.964 ( 8.867 10.780 -1.443) 14.032 10.715 ( -19.388 -20.884 8.000) 29.598 13.959 ( 5.067 -5.107 -4.533) 8.503 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 9.592 -12.956 -9.286) 18.604 3.617 ( -3.633 15.214 -8.871) 17.983 3.842 ( 1.901 12.737 5.796) 14.123 4.421 ( -1.102 7.309 6.431) 9.798 5.439 ( 1.819 0.546 -9.742) 9.925 6.046 ( 5.563 3.143 3.716) 7.392 7.481 ( -2.898 17.212 3.889) 17.882 7.724 ( -10.763 -0.296 -5.451) 12.069 8.655 ( 8.894 3.655 -3.639) 10.282 9.196 ( 5.496 10.948 -1.767) 12.377 10.216 ( -17.398 -18.151 4.846) 25.605 13.998 ( 7.573 -7.863 -1.688) 11.047 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 5.627 -14.591 -12.678) 20.132 3.644 ( -6.808 14.965 -9.291) 18.884 3.964 ( -4.437 11.137 7.805) 14.305 4.445 ( -3.712 1.602 5.244) 6.622 5.458 ( 2.448 2.650 -7.256) 8.104 6.143 ( 2.666 -1.602 4.662) 5.605 7.552 ( -15.516 15.899 1.350) 22.257 7.711 ( 10.708 9.250 5.661) 15.241 8.758 ( 1.029 0.035 -5.619) 5.713 9.297 ( -5.328 6.773 -4.071) 9.531 9.898 ( -0.532 -10.396 3.163) 10.879 14.037 ( 7.486 -9.511 -0.469) 12.113 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 1.533 -15.379 -13.923) 20.802 3.602 ( -11.189 14.444 -10.003) 20.830 3.969 ( -10.398 9.476 8.686) 16.534 4.374 ( -5.314 -3.454 4.872) 7.995 5.516 ( 3.076 3.968 -6.730) 8.397 6.128 ( -2.876 -5.893 6.725) 9.393 7.462 ( -13.253 13.830 3.247) 19.428 8.091 ( 16.379 11.287 7.853) 21.385 8.618 ( -11.393 -3.443 -5.827) 13.252 9.160 ( -10.145 2.294 -3.210) 10.885 10.014 ( 15.944 -0.900 -1.704) 16.060 14.075 ( 7.894 -8.658 0.855) 11.748 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -2.553 -14.744 -12.860) 19.730 3.454 ( -17.948 13.274 -10.814) 24.805 3.872 ( -13.376 6.662 7.964) 16.933 4.240 ( -6.809 -6.466 5.642) 10.955 5.549 ( -2.571 3.169 -8.436) 9.371 5.995 ( -6.101 -8.202 9.300) 13.820 7.380 ( -12.570 10.972 3.697) 17.090 8.251 ( -9.707 -7.521 -4.192) 12.976 8.550 ( 7.843 10.601 0.142) 13.188 9.039 ( -4.170 2.445 1.756) 5.143 10.333 ( 21.210 1.961 -4.080) 21.688 14.163 ( 10.277 -5.380 2.275) 11.821 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -6.583 -11.599 -9.057) 16.121 3.160 ( -25.557 10.982 -10.102) 29.594 3.720 ( -12.653 3.267 5.059) 14.013 4.053 ( -9.824 -7.468 6.446) 13.922 5.312 ( -22.225 -3.261 -5.279) 23.075 5.921 ( 1.093 -3.676 5.412) 6.633 7.264 ( -12.303 5.729 3.038) 13.908 7.992 ( -9.239 -3.299 -5.289) 11.145 8.634 ( -4.251 3.715 -3.759) 6.783 9.148 ( 9.909 2.233 2.507) 10.462 10.740 ( 23.994 3.668 -1.407) 24.313 14.339 ( 13.140 -2.027 1.853) 13.424 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -10.314 -4.382 -1.679) 11.331 2.736 ( -30.514 8.517 -7.897) 32.649 3.543 ( -11.229 -0.023 1.185) 11.291 3.796 ( -14.700 -7.584 6.408) 17.739 4.762 ( -33.977 -3.614 -2.056) 34.230 5.932 ( 0.636 -1.657 0.939) 2.008 7.101 ( -11.387 1.161 2.060) 11.630 7.863 ( -2.023 0.686 -3.793) 4.353 8.573 ( -3.623 2.231 -1.727) 4.592 9.322 ( 8.369 -0.288 -2.915) 8.867 11.198 ( 24.285 3.570 2.595) 24.682 14.563 ( 14.003 -1.124 -2.003) 14.190 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -12.942 7.352 8.789) 17.286 2.245 ( -32.324 6.615 -3.932) 33.228 3.332 ( -14.140 -2.520 -3.574) 14.801 3.428 ( -21.030 -6.887 5.718) 22.856 4.149 ( -33.292 2.593 -0.453) 33.396 5.908 ( -1.709 -0.835 -0.545) 1.979 6.930 ( -9.332 -0.291 1.600) 9.472 7.905 ( 5.637 2.728 -1.683) 6.485 8.550 ( -0.170 0.349 -0.831) 0.918 9.401 ( 2.950 -0.114 -5.376) 6.133 11.639 ( 22.005 1.340 5.169) 22.643 14.753 ( 12.065 -2.638 -9.191) 15.395 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.000 4.521 11.970) 12.796 1.399 ( -0.000 24.170 -1.576) 24.221 3.375 ( 0.000 8.468 1.421) 8.586 3.568 ( 0.000 35.853 10.150) 37.262 3.640 ( -0.000 27.606 -9.511) 29.199 5.929 ( 0.000 2.551 1.440) 2.930 6.883 ( 0.000 7.079 3.358) 7.835 7.802 ( -0.000 -10.943 -4.933) 12.004 8.503 ( -0.000 -3.501 -2.439) 4.267 9.204 ( -0.000 3.376 -12.317) 12.771 11.965 ( 0.000 -20.479 9.925) 22.757 14.542 ( -0.000 2.678 -22.459) 22.618 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 5.752 1.579 12.039) 13.436 1.857 ( 22.585 21.117 -3.813) 31.154 3.422 ( -4.117 12.724 -1.283) 13.435 3.790 ( 1.573 16.970 1.341) 17.095 4.141 ( 11.062 37.185 -0.438) 38.798 5.948 ( -1.790 3.426 0.171) 3.870 7.018 ( 5.256 8.577 4.391) 10.976 7.704 ( 1.746 -7.517 -4.505) 8.936 8.460 ( 0.028 -2.500 -3.649) 4.423 9.163 ( -1.015 -1.612 -11.669) 11.824 11.768 ( -2.829 -22.377 11.886) 25.496 14.431 ( -5.490 0.150 -19.249) 20.017 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 11.285 -2.998 8.860) 14.657 2.469 ( 26.179 17.600 -3.282) 31.715 3.499 ( -2.429 16.038 -3.826) 16.666 3.997 ( 2.637 15.555 3.738) 16.213 4.669 ( 13.872 25.914 -3.590) 29.612 5.936 ( -3.841 4.547 -0.286) 5.959 7.253 ( 6.914 11.950 6.110) 15.098 7.688 ( 4.795 -3.516 -4.789) 7.635 8.442 ( 3.484 -2.169 -6.496) 7.684 9.040 ( -5.242 -3.660 -10.287) 12.112 11.519 ( -5.124 -23.996 13.709) 28.107 14.225 ( -9.274 -1.365 -15.694) 18.281 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 12.792 -6.536 3.480) 14.781 3.033 ( 22.173 13.162 -1.993) 25.862 3.623 ( -1.585 19.155 -5.018) 19.865 4.216 ( 3.361 14.382 6.062) 15.966 5.066 ( 12.495 11.834 -8.527) 19.206 5.924 ( -4.165 7.417 1.659) 8.667 7.488 ( 1.319 13.778 6.262) 15.192 7.755 ( 7.568 -0.817 -6.420) 9.958 8.506 ( 9.764 -1.770 -10.612) 14.528 8.865 ( -8.146 1.028 -5.173) 9.704 11.210 ( -8.813 -25.134 13.098) 29.681 14.003 ( -7.655 -2.440 -10.834) 13.488 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 11.792 -9.036 -2.051) 14.997 3.453 ( 14.868 8.421 -2.301) 17.242 3.784 ( -1.055 21.011 -3.103) 21.265 4.430 ( 1.942 13.578 7.194) 15.488 5.265 ( 8.525 1.392 -12.049) 14.826 5.964 ( -1.844 8.590 3.873) 9.601 7.579 ( -3.809 6.166 0.591) 7.272 7.873 ( 5.974 5.579 -5.730) 9.982 8.573 ( -0.996 4.799 -8.586) 9.886 8.877 ( 8.001 6.705 -0.843) 10.473 10.811 ( -13.893 -24.559 9.836) 29.882 13.855 ( -1.659 -4.709 -5.580) 7.487 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 9.286 -10.572 -6.608) 15.545 3.695 ( 6.032 8.441 -5.884) 11.927 3.974 ( 0.604 17.047 2.962) 17.313 4.578 ( -2.555 11.001 6.330) 12.947 5.346 ( 5.903 1.093 -11.354) 12.843 6.038 ( 0.731 4.239 4.351) 6.119 7.536 ( -0.949 -1.835 -3.017) 3.657 8.005 ( -3.634 18.428 -1.232) 18.823 8.603 ( 0.813 8.748 -4.106) 9.698 9.134 ( 11.524 7.457 -2.276) 13.914 10.339 ( -16.930 -22.188 6.375) 28.628 13.802 ( 3.990 -8.003 -2.144) 9.196 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 5.945 -11.175 -9.410) 15.772 3.809 ( -0.299 10.965 -8.350) 13.785 4.137 ( -0.368 10.477 7.513) 12.898 4.601 ( -7.079 6.506 4.249) 10.512 5.421 ( 3.576 5.241 -9.137) 11.124 6.095 ( 2.163 -1.676 4.978) 5.680 7.540 ( 5.095 -2.428 -0.326) 5.653 8.103 ( -11.166 27.204 3.799) 29.650 8.718 ( 4.009 6.881 -6.376) 10.202 9.349 ( 5.563 6.157 -3.478) 8.998 9.884 ( -12.581 -18.718 4.681) 23.034 13.802 ( 7.023 -10.346 -0.780) 12.529 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 2.253 -10.550 -9.938) 14.668 3.843 ( -5.323 12.280 -9.587) 16.463 4.217 ( -3.441 5.448 10.025) 11.918 4.506 ( -10.411 2.471 2.260) 10.937 5.498 ( 1.941 7.292 -7.845) 10.885 6.106 ( 0.850 -6.376 6.025) 8.813 7.628 ( 4.386 -0.376 2.436) 5.031 8.219 ( -7.122 25.049 5.704) 26.659 8.753 ( -5.590 4.890 -6.009) 9.553 9.326 ( -9.277 -0.081 -4.435) 10.283 9.734 ( 10.787 -8.535 2.110) 13.916 13.833 ( 8.813 -9.943 -0.142) 13.287 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -1.415 -7.957 -7.847) 11.265 3.788 ( -10.994 11.953 -10.449) 19.311 4.200 ( -9.061 4.132 10.959) 14.808 4.319 ( -10.832 -3.315 0.947) 11.367 5.570 ( 1.196 7.237 -8.291) 11.070 6.031 ( -3.656 -9.068 7.500) 12.323 7.650 ( -5.103 2.985 3.306) 6.773 8.316 ( -5.678 4.278 -1.252) 7.219 8.667 ( -5.871 12.819 -0.897) 14.128 9.149 ( -8.188 -1.765 -1.834) 8.575 9.965 ( 20.252 -2.266 -0.560) 20.386 13.919 ( 11.077 -6.759 0.299) 12.980 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -4.731 -2.446 -2.895) 6.062 3.609 ( -18.430 9.704 -9.917) 23.068 4.020 ( -17.077 1.807 2.597) 17.368 4.144 ( -6.232 -6.400 6.965) 11.327 5.568 ( -8.561 5.674 -8.935) 13.613 5.894 ( -2.687 -8.354 7.841) 11.768 7.538 ( -11.852 1.940 3.024) 12.384 8.128 ( -11.249 -1.373 -4.422) 12.165 8.767 ( -3.438 12.354 -4.519) 13.596 9.026 ( 1.685 -6.060 0.913) 6.356 10.353 ( 24.172 1.688 2.481) 24.357 14.081 ( 13.385 -3.205 -0.596) 13.776 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -7.292 6.154 4.538) 10.566 3.270 ( -25.914 5.841 -6.601) 27.372 3.746 ( -13.803 -3.074 -1.646) 14.236 3.973 ( -10.747 -4.149 5.629) 12.822 5.271 ( -25.835 2.749 -2.756) 26.127 5.876 ( 3.184 -3.201 0.773) 4.581 7.326 ( -13.325 -1.637 2.190) 13.602 7.951 ( -7.651 2.456 -2.981) 8.570 8.697 ( -8.476 3.161 -1.503) 9.170 9.116 ( 11.578 -3.308 -5.576) 13.270 10.818 ( 25.028 2.204 6.595) 25.976 14.289 ( 14.039 -2.014 -4.096) 14.762 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -8.984 15.474 12.080) 21.589 2.813 ( -29.506 2.496 -1.634) 29.657 3.478 ( -11.303 -4.748 -4.911) 13.207 3.729 ( -16.195 -1.726 1.833) 16.389 4.792 ( -33.479 6.899 0.319) 34.184 5.893 ( 1.555 -1.704 -2.417) 3.341 7.099 ( -10.755 -2.739 1.867) 11.254 7.902 ( -1.601 4.830 -0.425) 5.107 8.591 ( -4.936 -0.169 -0.182) 4.942 9.255 ( 10.223 -2.091 -8.492) 13.453 11.279 ( 23.500 -0.124 9.260) 25.259 14.467 ( 12.546 -3.446 -10.059) 16.446 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.000 0.613 5.216) 5.252 1.858 ( -0.000 22.875 -1.192) 22.906 3.565 ( 0.000 9.352 1.561) 9.481 3.922 ( -0.000 16.429 -3.205) 16.738 4.428 ( -0.000 34.860 -0.507) 34.864 6.007 ( -0.000 4.862 0.211) 4.867 7.054 ( 0.000 6.749 4.330) 8.019 7.614 ( -0.000 -3.950 -4.388) 5.904 8.436 ( -0.000 -0.605 -3.484) 3.536 9.099 ( -0.000 -3.971 -11.581) 12.243 11.604 ( 0.000 -24.276 12.109) 27.128 14.413 ( -0.000 -0.255 -16.634) 16.636 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 4.551 -2.027 4.137) 6.475 2.243 ( 18.185 19.530 -1.898) 26.753 3.660 ( -0.480 11.746 0.109) 11.756 4.092 ( 2.690 13.991 -1.085) 14.288 4.763 ( 4.365 24.833 -3.567) 25.465 6.043 ( -2.075 6.229 -0.146) 6.567 7.219 ( 9.304 7.339 5.185) 12.935 7.596 ( 1.937 0.395 -4.478) 4.895 8.399 ( -2.394 0.018 -5.280) 5.797 9.011 ( -0.376 -4.228 -9.936) 10.805 11.384 ( -2.265 -25.579 12.699) 28.647 14.296 ( -6.089 -0.947 -13.717) 15.037 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 8.335 -5.004 2.247) 9.978 2.768 ( 22.431 14.260 -1.744) 26.637 3.798 ( 0.904 15.927 -1.766) 16.050 4.280 ( 4.881 10.950 2.184) 12.185 5.012 ( 4.843 12.539 -6.926) 15.122 6.070 ( -2.843 8.036 0.388) 8.533 7.524 ( 11.305 9.447 4.306) 15.349 7.655 ( 4.593 4.745 -3.535) 7.491 8.330 ( 0.622 -2.428 -9.178) 9.514 8.940 ( -1.869 0.432 -6.253) 6.541 11.115 ( -4.789 -26.458 12.391) 29.606 14.099 ( -9.544 -1.539 -10.088) 13.972 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 9.423 -6.935 -0.831) 11.729 3.237 ( 18.826 8.910 -1.412) 20.875 3.980 ( 0.635 18.666 -2.204) 18.806 4.500 ( 6.966 9.947 5.127) 13.181 5.127 ( 4.054 2.750 -9.440) 10.635 6.106 ( -2.865 8.017 1.278) 8.609 7.638 ( -1.583 1.826 -7.206) 7.601 7.879 ( 5.562 13.207 5.103) 15.212 8.411 ( 15.583 1.473 -9.503) 18.312 8.912 ( -2.570 5.460 -2.764) 6.638 10.784 ( -8.402 -26.346 10.430) 29.555 13.887 ( -8.468 -2.809 -5.949) 10.723 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 8.370 -7.639 -3.777) 11.945 3.575 ( 13.115 5.896 -2.118) 14.535 4.153 ( -0.582 16.206 0.164) 16.218 4.723 ( 2.651 10.782 6.394) 12.812 5.181 ( 7.381 -0.504 -10.737) 13.039 6.127 ( -3.199 4.967 2.301) 6.340 7.538 ( -4.576 -1.871 -6.340) 8.039 8.128 ( 6.392 15.967 0.794) 17.218 8.700 ( 6.928 11.666 -3.983) 14.140 8.973 ( 7.683 4.313 -2.709) 9.218 10.385 ( -12.378 -24.651 7.602) 28.613 13.723 ( -3.974 -5.287 -2.563) 7.093 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 5.999 -7.180 -5.606) 10.907 3.799 ( 7.788 5.896 -3.916) 10.524 4.273 ( -1.452 9.857 3.622) 10.601 4.800 ( -5.655 6.743 4.052) 9.689 5.329 ( 10.384 5.435 -8.957) 14.751 6.108 ( -3.139 -0.322 3.773) 4.918 7.460 ( 0.544 -1.657 -2.921) 3.402 8.418 ( 5.388 20.184 0.739) 20.904 8.792 ( -5.157 12.446 -2.471) 13.697 9.216 ( 13.273 3.228 -3.867) 14.196 9.945 ( -14.278 -21.635 5.317) 26.461 13.629 ( 1.266 -7.673 -0.846) 7.823 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 3.099 -5.308 -5.561) 8.288 3.935 ( 2.686 7.515 -6.338) 10.192 4.318 ( -2.569 2.119 6.437) 7.247 4.733 ( -9.040 3.928 2.209) 10.101 5.517 ( 4.630 10.891 -8.142) 14.365 6.049 ( -1.085 -7.012 5.545) 9.005 7.508 ( 6.507 -0.883 0.027) 6.567 8.637 ( -8.651 20.185 5.190) 22.566 8.845 ( 1.620 11.857 -7.239) 13.987 9.386 ( 4.609 1.058 -4.158) 6.297 9.554 ( -7.397 -18.092 4.911) 20.153 13.610 ( 5.812 -7.621 -0.334) 9.590 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 0.318 -1.432 -3.158) 3.482 3.985 ( -3.550 9.219 -9.424) 13.653 4.278 ( -3.255 -5.300 8.248) 10.330 4.586 ( -13.003 2.430 2.022) 13.382 5.624 ( -0.942 11.153 -8.521) 14.067 5.985 ( 0.796 -10.197 6.796) 12.280 7.625 ( 6.643 -1.054 0.413) 6.738 8.561 ( -14.335 6.268 -1.206) 15.692 8.908 ( -7.727 10.076 -0.547) 12.709 9.276 ( -8.736 -0.779 -2.464) 9.110 9.596 ( 18.470 -5.555 2.739) 19.481 13.680 ( 9.465 -4.441 -0.346) 10.461 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -1.889 4.732 1.489) 5.308 3.907 ( -11.218 7.480 -10.025) 16.802 4.167 ( -5.072 -8.626 3.653) 10.653 4.355 ( -15.712 -0.017 5.297) 16.581 5.667 ( -0.799 8.291 -9.165) 12.385 5.903 ( -3.497 -8.234 7.085) 11.411 7.666 ( -1.651 -1.863 0.197) 2.497 8.323 ( -13.699 0.629 -4.715) 14.502 8.857 ( -1.437 -1.215 -1.940) 2.702 9.089 ( -12.084 1.271 -1.159) 12.206 9.973 ( 23.675 1.815 5.781) 24.438 13.838 ( 11.751 -0.518 -1.277) 11.831 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -3.350 12.215 7.239) 14.588 3.670 ( -18.540 2.198 -6.137) 19.652 3.917 ( -13.065 -8.301 -3.696) 15.915 4.149 ( -10.609 -1.180 6.532) 12.515 5.649 ( -12.230 8.899 -8.157) 17.185 5.788 ( 0.664 -7.037 4.877) 8.587 7.512 ( -11.301 -5.553 0.704) 12.611 8.129 ( -9.457 4.563 -4.369) 11.373 8.807 ( 3.740 -14.030 -1.865) 14.639 8.938 ( -6.869 7.533 -4.806) 11.270 10.441 ( 24.707 1.728 9.180) 26.414 14.040 ( 11.882 1.152 -3.995) 12.588 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -4.570 18.597 11.925) 22.560 3.280 ( -24.626 -1.830 -0.648) 24.702 3.597 ( -12.051 -7.682 -5.626) 15.358 3.972 ( -12.135 0.957 1.018) 12.215 5.375 ( -24.793 8.388 -0.813) 26.186 5.808 ( 4.206 -2.598 -3.607) 6.120 7.242 ( -11.052 -7.475 1.149) 13.392 8.044 ( -7.022 8.246 -0.856) 10.865 8.696 ( -5.503 -3.488 1.959) 6.804 8.969 ( 10.728 -4.282 -12.162) 16.773 10.904 ( 24.138 -1.397 11.636) 26.832 14.214 ( 9.966 -0.117 -8.594) 13.160 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 -2.886 0.135) 2.889 2.272 ( -0.000 19.177 -0.439) 19.182 3.760 ( 0.000 8.981 1.247) 9.067 4.198 ( -0.000 13.261 -2.471) 13.489 4.932 ( -0.000 18.116 -4.416) 18.647 6.121 ( -0.000 6.495 -1.399) 6.644 7.194 ( 0.000 3.633 4.697) 5.938 7.592 ( -0.000 5.047 -4.331) 6.651 8.440 ( -0.000 4.015 -4.012) 5.676 8.920 ( -0.000 -5.062 -8.768) 10.124 11.193 ( 0.000 -26.116 11.900) 28.699 14.294 ( -0.000 -0.922 -11.307) 11.345 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 3.984 -4.519 -0.225) 6.029 2.581 ( 14.504 15.091 -0.475) 20.937 3.882 ( 3.449 10.255 0.369) 10.826 4.324 ( 1.823 10.135 -1.088) 10.355 5.063 ( 0.627 10.204 -5.322) 11.525 6.168 ( -0.762 6.205 -2.260) 6.648 7.364 ( 13.682 3.569 4.236) 14.760 7.654 ( 1.098 8.618 -5.084) 10.066 8.389 ( -8.013 2.946 -5.013) 9.900 8.894 ( 3.820 -1.182 -5.320) 6.655 10.958 ( -2.362 -25.881 10.871) 28.171 14.192 ( -6.175 -0.992 -8.468) 10.527 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 6.769 -5.464 -0.309) 8.705 2.998 ( 18.486 9.624 -0.295) 20.844 4.086 ( 5.871 13.729 -0.980) 14.963 4.463 ( 5.670 6.049 1.431) 8.413 5.111 ( -0.691 3.951 -5.779) 7.035 6.204 ( -0.823 5.220 -2.029) 5.661 7.669 ( 3.930 8.790 -4.876) 10.793 7.805 ( 16.306 6.066 2.678) 17.602 8.258 ( -4.197 2.219 -6.232) 7.834 8.954 ( 2.583 3.406 -2.364) 4.885 10.680 ( -5.294 -24.890 9.153) 27.043 14.013 ( -9.933 -1.285 -5.319) 11.340 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 7.343 -5.167 -1.030) 9.037 3.371 ( 16.147 5.378 -0.129) 17.019 4.295 ( 1.640 13.664 -1.060) 13.802 4.686 ( 13.146 5.424 3.755) 14.708 5.085 ( -1.381 0.074 -6.379) 6.527 6.221 ( -1.785 3.535 -0.856) 4.051 7.633 ( -8.589 3.799 -6.984) 11.704 8.166 ( 7.496 11.002 5.127) 14.266 8.422 ( 23.957 5.365 -7.286) 25.609 9.010 ( -0.523 5.018 -0.659) 5.088 10.351 ( -8.854 -23.008 6.866) 25.591 13.804 ( -10.104 -2.227 -2.509) 10.646 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 6.175 -3.780 -1.798) 7.460 3.658 ( 12.465 3.473 -0.453) 12.948 4.398 ( -1.586 7.806 0.805) 8.006 4.947 ( -1.409 6.079 5.484) 8.308 5.102 ( 14.670 0.765 -8.083) 16.767 6.195 ( -4.284 1.134 0.623) 4.476 7.491 ( -6.530 0.971 -3.757) 7.596 8.433 ( 9.576 13.724 0.245) 16.737 8.898 ( 21.787 8.080 -3.391) 23.483 9.025 ( -2.586 3.827 -0.478) 4.643 9.977 ( -12.133 -20.258 4.701) 24.077 13.620 ( -6.890 -3.448 -0.771) 7.743 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 4.322 -1.183 -1.697) 4.791 3.869 ( 8.766 3.183 -1.348) 9.423 4.408 ( -3.365 1.826 1.984) 4.312 4.888 ( -6.124 0.619 0.377) 6.166 5.420 ( 15.145 7.121 -2.790) 16.967 6.091 ( -7.356 -2.931 1.522) 8.063 7.436 ( 0.551 0.517 -0.917) 1.188 8.769 ( 13.215 14.157 -0.305) 19.369 8.976 ( -6.962 3.034 0.232) 7.598 9.248 ( 10.888 5.773 -3.478) 12.805 9.586 ( -12.821 -16.994 3.352) 21.550 13.512 ( -1.197 -3.127 -0.157) 3.352 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 2.676 3.033 0.003) 4.045 4.010 ( 4.600 3.626 -3.332) 6.739 4.333 ( -5.410 -3.586 2.877) 7.100 4.770 ( -7.742 -1.412 0.435) 7.881 5.695 ( 7.674 9.972 -3.842) 13.156 5.916 ( -6.133 -8.620 3.153) 11.039 7.498 ( 5.805 0.003 -0.488) 5.825 8.820 ( -11.672 -2.920 -1.536) 12.129 9.121 ( 0.228 16.922 -3.987) 17.387 9.238 ( 3.927 -16.207 6.272) 17.817 9.402 ( -0.139 3.039 -0.724) 3.127 13.529 ( 5.023 0.119 -0.184) 5.028 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 1.589 8.717 3.229) 9.431 4.058 ( -2.247 4.575 -8.258) 9.704 4.181 ( -6.273 -8.915 4.969) 11.980 4.583 ( -11.387 -4.312 1.997) 12.339 5.735 ( -4.996 -0.421 -3.812) 6.298 5.878 ( 3.749 0.919 2.365) 4.526 7.597 ( 5.671 -0.805 -1.969) 6.057 8.515 ( -13.648 -9.876 -4.214) 17.366 8.914 ( -11.334 -5.835 -0.895) 12.779 9.303 ( -7.735 3.868 0.290) 8.653 9.634 ( 20.847 4.361 5.477) 21.991 13.675 ( 8.918 4.421 -0.748) 9.982 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 0.889 14.651 6.893) 16.216 3.909 ( -12.272 -2.583 -4.571) 13.348 4.000 ( -7.936 -8.082 -2.725) 11.650 4.344 ( -11.346 -3.728 4.473) 12.753 5.674 ( 1.519 -2.996 -2.763) 4.349 5.899 ( -5.623 5.099 -0.473) 7.605 7.597 ( -4.589 -4.629 -1.467) 6.681 8.220 ( -3.010 -9.404 -8.178) 12.821 8.679 ( -8.171 -6.449 -0.213) 10.411 9.172 ( -11.352 3.831 0.195) 11.982 10.073 ( 23.435 1.097 7.727) 24.701 13.887 ( 9.192 6.591 -2.298) 11.542 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -0.052 19.075 9.434) 21.281 3.603 ( -17.239 -6.217 0.502) 18.333 3.700 ( -12.599 -9.201 -6.192) 16.785 4.172 ( -9.465 0.775 1.389) 9.597 5.689 ( 4.265 -3.244 -2.633) 5.970 5.784 ( -14.187 7.981 -2.695) 16.500 7.341 ( -11.580 -11.635 0.259) 16.418 8.199 ( 3.836 4.227 -8.735) 10.434 8.533 ( 0.941 -8.346 -0.460) 8.412 8.997 ( -11.441 1.129 -1.623) 11.611 10.505 ( 24.262 -3.343 9.684) 26.336 14.074 ( 6.594 5.573 -5.092) 10.023 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 -4.835 -0.527) 4.864 2.596 ( -0.000 13.396 0.255) 13.398 3.929 ( -0.000 7.225 0.448) 7.239 4.401 ( -0.000 8.651 -1.539) 8.787 5.126 ( -0.000 6.524 -4.305) 7.816 6.211 ( -0.000 4.173 -3.984) 5.770 7.264 ( 0.000 0.448 3.359) 3.389 7.735 ( -0.000 12.805 -6.023) 14.151 8.525 ( -0.000 6.662 -2.838) 7.241 8.792 ( -0.000 -3.675 -2.765) 4.599 10.770 ( 0.000 -23.844 8.946) 25.467 14.211 ( -0.000 -0.702 -6.324) 6.363 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 3.751 -4.647 1.439) 6.143 2.823 ( 11.901 9.193 0.542) 15.048 4.059 ( 7.126 7.212 -0.339) 10.144 4.474 ( 0.685 5.732 -0.547) 5.799 5.151 ( -1.198 3.386 -3.428) 4.965 6.232 ( 0.336 2.916 -3.763) 4.772 7.428 ( 17.225 0.629 2.069) 17.360 7.838 ( -1.619 14.460 -7.866) 16.541 8.431 ( -11.433 2.952 -0.955) 11.846 8.869 ( 8.345 -0.292 -0.167) 8.352 10.553 ( -2.951 -20.729 6.667) 21.974 14.131 ( -6.223 -0.488 -3.913) 7.367 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 5.897 -3.402 2.767) 7.349 3.144 ( 15.940 4.783 1.071) 16.677 4.307 ( 11.462 9.078 -1.683) 14.718 4.543 ( 4.144 1.236 1.052) 4.451 5.128 ( -3.019 1.560 -2.284) 4.094 6.252 ( 0.262 2.096 -2.360) 3.167 7.833 ( 3.091 9.739 -2.399) 10.496 7.866 ( 15.949 1.584 -4.474) 16.641 8.328 ( -2.296 6.014 -0.281) 6.443 8.996 ( 5.581 0.172 1.511) 5.785 10.306 ( -6.654 -16.723 4.079) 18.454 13.969 ( -10.501 -0.446 -1.705) 10.648 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 6.095 -1.481 2.499) 6.752 3.450 ( 14.980 1.990 1.634) 15.200 4.482 ( -0.392 5.579 -0.678) 5.633 4.755 ( 19.940 0.029 -1.347) 19.985 5.071 ( -4.372 1.555 0.564) 4.674 6.255 ( -1.484 1.190 -0.958) 2.130 7.675 ( -13.037 3.940 -3.598) 14.086 8.339 ( 18.786 1.382 3.618) 19.181 8.516 ( 19.228 9.537 -6.288) 22.365 9.069 ( 2.237 -0.540 3.321) 4.041 10.025 ( -10.857 -11.658 1.383) 15.991 13.766 ( -11.570 -0.482 -0.233) 11.582 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 5.456 1.148 1.652) 5.815 3.705 ( 12.442 0.738 1.949) 12.615 4.474 ( -2.809 -0.343 0.219) 2.838 4.943 ( 0.179 -3.376 -6.558) 7.378 5.180 ( 15.695 4.757 6.334) 17.581 6.197 ( -5.791 -0.583 -1.016) 5.909 7.511 ( -7.819 2.332 -0.051) 8.160 8.602 ( 13.562 -0.331 1.869) 13.694 8.947 ( 15.804 4.048 -7.147) 17.811 9.116 ( 5.671 -0.105 6.968) 8.984 9.722 ( -14.760 -4.205 -1.550) 15.425 13.587 ( -8.454 0.445 0.342) 8.473 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 5.087 4.977 1.580) 7.290 3.903 ( 9.175 0.038 1.845) 9.359 4.387 ( -4.496 -4.489 -0.057) 6.354 4.843 ( -4.469 -3.928 -3.218) 6.764 5.516 ( 15.694 0.842 5.321) 16.593 6.039 ( -9.814 -1.150 -3.037) 10.337 7.463 ( -0.963 2.036 1.332) 2.617 8.774 ( 8.426 -13.606 0.411) 16.009 9.004 ( 1.792 -1.846 2.645) 3.690 9.327 ( 7.967 -3.672 3.080) 9.297 9.477 ( -13.111 13.440 -6.067) 19.732 13.518 ( -1.485 3.685 0.336) 3.988 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 5.181 9.854 2.730) 11.463 4.026 ( 4.731 -1.262 1.007) 4.999 4.232 ( -6.526 -7.424 -0.632) 9.905 4.684 ( -7.085 -6.643 -1.672) 9.855 5.702 ( 4.015 -9.539 7.642) 12.866 5.905 ( -2.545 8.176 -6.682) 10.862 7.508 ( 3.284 1.526 0.015) 3.621 8.551 ( -10.194 -20.633 -2.086) 23.108 8.992 ( -1.261 -11.597 4.498) 12.502 9.430 ( 7.974 11.012 -1.447) 13.672 9.474 ( -5.203 6.892 -0.300) 8.641 13.614 ( 5.298 8.110 0.056) 9.687 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 5.211 14.630 4.361) 16.131 4.007 ( -6.377 -11.413 3.639) 13.571 4.028 ( -5.066 -3.049 -5.974) 8.406 4.472 ( -8.288 -6.725 0.610) 10.690 5.624 ( -1.106 -5.914 1.265) 6.148 5.989 ( 0.933 6.634 -2.323) 7.091 7.581 ( 2.555 1.101 -1.721) 3.272 8.103 ( -10.511 -25.768 -3.730) 28.078 8.837 ( -8.536 -1.805 0.659) 8.750 9.388 ( -9.871 2.389 1.139) 10.220 9.743 ( 17.845 3.428 2.675) 18.367 13.826 ( 7.586 10.533 -0.610) 12.995 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 4.542 17.938 5.217) 19.225 3.739 ( -10.419 -11.640 0.154) 15.623 3.814 ( -11.436 -8.302 -3.679) 14.603 4.313 ( -6.393 -1.237 1.215) 6.624 5.593 ( 2.215 -2.522 -1.774) 3.797 6.007 ( -5.185 5.764 -1.974) 8.001 7.430 ( -13.673 -13.394 0.449) 19.145 7.893 ( 12.724 -11.121 -8.825) 19.065 8.692 ( -10.324 5.217 0.625) 11.584 9.207 ( -12.141 -0.891 0.821) 12.201 10.099 ( 21.383 -3.054 5.091) 22.191 14.040 ( 5.376 9.603 -1.918) 11.172 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.000 -3.542 5.519) 6.558 2.800 ( 0.000 6.696 0.927) 6.760 4.042 ( -0.000 4.052 -0.778) 4.126 4.519 ( -0.000 4.210 -0.458) 4.235 5.181 ( -0.000 2.303 -1.959) 3.023 6.239 ( -0.000 2.108 -3.166) 3.803 7.272 ( 0.000 -0.803 0.478) 0.934 7.985 ( -0.000 17.524 -8.706) 19.568 8.636 ( -0.000 5.053 -0.148) 5.055 8.694 ( 0.000 -7.891 3.738) 8.732 10.421 ( 0.000 -15.246 3.787) 15.709 14.172 ( -0.000 0.020 -2.106) 2.106 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 3.162 -1.803 8.807) 9.530 2.952 ( 10.693 3.007 1.545) 11.214 4.151 ( 9.432 2.639 -1.675) 9.937 4.548 ( -0.303 1.899 0.262) 1.941 5.180 ( -1.711 1.553 -0.584) 2.383 6.255 ( 0.513 1.901 -1.497) 2.473 7.429 ( 18.667 -0.657 -1.219) 18.718 8.087 ( -5.788 16.523 -9.203) 19.779 8.448 ( -8.717 -4.020 4.792) 10.729 8.850 ( 10.209 -2.459 2.781) 10.863 10.277 ( -3.686 -9.241 0.891) 9.988 14.115 ( -6.350 0.478 -0.367) 6.378 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 4.622 -0.063 8.387) 9.577 3.205 ( 15.307 0.044 2.732) 15.549 4.394 ( 17.222 0.789 -3.273) 17.548 4.544 ( -0.953 -0.976 0.730) 1.547 5.155 ( -2.954 1.594 1.581) 3.710 6.275 ( 0.008 1.396 -0.199) 1.410 7.821 ( 21.946 -1.382 -5.811) 22.745 7.998 ( -8.122 6.274 1.112) 10.324 8.416 ( 4.430 0.502 1.724) 4.780 8.985 ( 6.776 -1.890 3.189) 7.723 10.118 ( -7.808 -2.620 -1.926) 8.458 13.970 ( -10.975 0.968 0.841) 11.049 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 5.336 1.823 5.440) 7.835 3.476 ( 15.179 -1.484 4.022) 15.773 4.496 ( -1.923 -4.486 0.611) 4.919 4.681 ( 17.307 -3.211 -6.876) 18.898 5.151 ( -0.229 3.068 6.349) 7.055 6.261 ( -2.776 -0.323 -0.629) 2.865 7.722 ( -12.602 2.045 0.145) 12.768 8.300 ( 19.328 -6.075 0.537) 20.268 8.606 ( 19.000 -0.395 1.113) 19.036 9.068 ( 3.056 -1.197 3.570) 4.849 9.951 ( -11.460 5.778 -4.888) 13.734 13.785 ( -11.997 2.045 1.340) 12.244 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 6.504 4.761 2.503) 8.440 3.716 ( 12.813 -2.290 4.952) 13.926 4.393 ( -3.179 -7.835 0.058) 8.455 4.784 ( 4.133 -6.986 -8.049) 11.431 5.311 ( 10.950 2.479 9.571) 14.753 6.156 ( -6.897 -2.302 -2.980) 7.858 7.577 ( -7.629 2.936 3.339) 8.830 8.451 ( 11.932 -13.835 2.295) 18.414 8.916 ( 10.946 -5.431 -0.485) 12.229 9.117 ( 7.570 -3.913 5.867) 10.346 9.828 ( -12.333 16.819 -8.024) 22.347 13.645 ( -7.717 4.752 1.339) 9.161 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 8.124 8.852 0.972) 12.054 3.897 ( 8.912 -3.486 5.368) 10.973 4.235 ( -4.469 -10.455 -0.573) 11.384 4.681 ( -2.747 -9.082 -5.822) 11.133 5.547 ( 9.499 -2.459 9.811) 13.875 6.000 ( -5.658 -0.000 -5.642) 7.990 7.536 ( -2.704 3.323 3.345) 5.435 8.431 ( 1.010 -19.994 2.325) 20.154 8.863 ( 0.221 -11.375 3.223) 11.824 9.285 ( 10.738 -4.240 2.001) 11.717 9.795 ( -11.432 21.412 -7.614) 25.439 13.652 ( 0.308 8.772 1.120) 8.849 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 9.255 12.963 0.542) 15.937 3.965 ( 1.387 -8.178 5.280) 9.833 4.036 ( -5.031 -10.664 -1.866) 11.938 4.497 ( -4.536 -9.348 -3.674) 11.021 5.601 ( -0.855 -4.606 5.064) 6.899 5.992 ( 3.315 3.590 -2.678) 5.572 7.563 ( 1.137 2.705 1.475) 3.284 8.074 ( -15.123 -24.216 1.348) 28.582 8.826 ( 4.123 -8.219 2.531) 9.537 9.392 ( 7.000 -6.894 0.347) 9.831 9.782 ( -9.412 18.244 -4.035) 20.922 13.819 ( 6.000 11.304 0.713) 12.818 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 9.095 15.752 -0.000) 18.189 3.770 ( -7.839 -13.577 -0.000) 15.678 3.864 ( -6.152 -10.655 -0.000) 12.304 4.366 ( -2.192 -3.797 -0.000) 4.385 5.558 ( -0.708 -1.227 -0.000) 1.416 6.074 ( 1.642 2.844 0.000) 3.284 7.543 ( -14.819 -25.668 -0.000) 29.639 7.639 ( 2.345 4.062 -0.000) 4.691 8.826 ( 0.004 0.006 -0.000) 0.007 9.345 ( -4.293 -7.436 -0.000) 8.586 9.861 ( 4.579 7.931 -0.000) 9.158 14.042 ( 6.039 10.459 -0.000) 12.077 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 -0.236 14.624) 14.626 2.876 ( 0.000 -0.102 1.771) 1.774 4.072 ( -0.000 0.005 -2.207) 2.207 4.565 ( 0.000 0.330 0.537) 0.631 5.209 ( 0.000 1.265 0.708) 1.450 6.267 ( 0.000 1.915 0.267) 1.933 7.247 ( -0.000 -0.784 -2.683) 2.795 8.271 ( -0.000 16.191 -8.256) 18.174 8.514 ( 0.000 -13.312 7.089) 15.082 8.705 ( 0.000 0.585 2.760) 2.822 10.251 ( -0.000 -2.351 -1.855) 2.995 14.180 ( 0.000 1.193 1.048) 1.588 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 1.664 0.639 15.239) 15.343 2.967 ( 11.065 -3.139 2.910) 11.864 4.134 ( 9.467 -2.427 -3.073) 10.245 4.554 ( -0.770 -1.666 0.557) 1.918 5.213 ( -1.399 1.115 2.339) 2.945 6.289 ( 0.118 1.169 1.263) 1.725 7.391 ( 18.248 -0.946 -4.184) 18.745 8.288 ( -12.859 -6.647 5.939) 15.646 8.347 ( -0.012 4.232 -2.338) 4.835 8.841 ( 9.785 -0.022 2.333) 10.060 10.216 ( -3.855 4.357 -4.250) 7.205 14.145 ( -6.523 1.913 2.096) 7.114 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 3.021 1.128 10.411) 10.899 3.188 ( 16.593 -4.740 5.053) 17.981 4.290 ( 13.874 -7.800 -3.286) 16.252 4.516 ( -0.210 -2.437 -1.311) 2.775 5.213 ( -1.237 1.456 5.044) 5.394 6.287 ( -1.262 -1.167 0.346) 1.753 7.728 ( 19.724 -3.145 -7.048) 21.181 8.065 ( -6.247 -4.802 9.198) 12.112 8.379 ( 5.030 -3.042 2.805) 6.514 8.997 ( 6.186 0.601 1.850) 6.484 10.177 ( -7.244 11.721 -6.689) 15.317 14.021 ( -11.118 2.900 2.613) 11.783 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 5.753 2.775 4.056) 7.567 3.451 ( 16.570 -5.241 6.968) 18.724 4.317 ( 1.939 -13.233 0.803) 13.398 4.547 ( 8.502 -4.969 -8.152) 12.784 5.266 ( 3.062 2.344 8.870) 9.672 6.208 ( -4.366 -4.648 -2.351) 6.796 7.747 ( -6.335 -0.779 0.880) 6.443 8.125 ( 11.520 -12.004 3.491) 17.000 8.573 ( 18.638 -2.946 5.371) 19.619 9.053 ( 0.642 -3.589 2.911) 4.665 10.160 ( -9.093 19.453 -9.281) 23.393 13.868 ( -11.291 4.794 2.803) 12.583 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 9.437 6.176 -0.761) 11.304 3.686 ( 13.463 -5.864 7.941) 16.694 4.174 ( -2.301 -14.356 1.414) 14.608 4.544 ( 3.399 -10.640 -9.122) 14.422 5.432 ( 8.231 1.942 11.062) 13.924 6.046 ( -5.458 -6.065 -5.023) 9.582 7.651 ( -5.133 0.342 2.541) 5.737 8.179 ( 8.489 -14.382 5.691) 17.644 8.789 ( 2.317 -6.767 3.708) 8.057 9.040 ( 8.667 -7.126 2.894) 11.587 10.174 ( -10.303 23.440 -10.315) 27.604 13.788 ( -5.725 7.773 2.879) 10.074 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 12.366 10.107 -3.466) 16.343 3.832 ( 7.351 -8.684 7.074) 13.397 3.981 ( -3.529 -14.984 1.786) 15.497 4.413 ( -0.401 -11.875 -7.292) 13.941 5.597 ( 2.505 0.350 9.621) 9.948 5.929 ( 2.127 -3.751 -4.589) 6.297 7.582 ( -2.268 -4.367 1.277) 5.084 8.124 ( -6.191 -10.303 8.282) 14.597 8.669 ( 0.161 -9.489 1.560) 9.618 9.169 ( 10.269 -8.114 0.695) 13.106 10.166 ( -13.021 21.582 -8.440) 26.581 13.858 ( 1.984 10.082 2.646) 10.611 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 0.000 0.415 19.060) 19.064 2.824 ( 0.000 -6.941 2.975) 7.551 4.010 ( -0.000 -3.905 -3.557) 5.282 4.537 ( 0.000 -3.706 0.568) 3.749 5.242 ( 0.000 0.191 3.506) 3.512 6.300 ( 0.000 -0.230 1.817) 1.831 7.205 ( -0.000 -0.431 -4.912) 4.931 8.195 ( 0.000 -18.133 9.525) 20.482 8.589 ( -0.000 14.882 -5.505) 15.867 8.696 ( 0.000 -4.173 4.704) 6.289 10.303 ( -0.000 10.541 -5.989) 12.124 14.236 ( 0.000 2.822 3.088) 4.183 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -0.252 -0.599 15.684) 15.698 2.872 ( 13.130 -9.361 4.895) 16.852 4.016 ( 7.567 -6.558 -4.056) 10.804 4.484 ( -0.714 -5.652 -0.292) 5.704 5.249 ( -0.340 -1.047 5.241) 5.356 6.285 ( -0.773 -3.147 0.370) 3.262 7.330 ( 16.288 -1.465 -5.825) 17.360 8.050 ( -0.367 -17.009 10.522) 20.004 8.478 ( -10.899 3.737 2.171) 11.725 8.884 ( 9.440 3.286 1.171) 10.064 10.381 ( -3.423 16.442 -7.623) 18.444 14.223 ( -6.622 3.817 3.668) 8.478 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 2.310 -0.676 7.179) 7.572 3.093 ( 19.585 -9.849 7.884) 23.297 4.067 ( 8.877 -11.851 -2.833) 15.076 4.409 ( 0.469 -6.715 -3.425) 7.553 5.265 ( 1.814 -2.095 7.691) 8.175 6.201 ( -2.888 -6.872 -2.484) 7.857 7.585 ( 16.424 -6.059 -7.447) 19.024 7.950 ( 1.524 -12.042 10.835) 16.271 8.419 ( 0.790 2.459 6.943) 7.408 9.018 ( 2.608 0.219 2.812) 3.841 10.456 ( -5.996 21.568 -9.481) 24.311 14.127 ( -10.834 5.201 4.126) 12.706 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 8.113 1.919 -1.073) 8.405 3.367 ( 18.901 -9.936 9.511) 23.376 4.023 ( 2.774 -16.436 1.319) 16.721 4.343 ( 2.938 -9.422 -8.529) 13.044 5.350 ( 7.223 -2.413 9.986) 12.559 6.039 ( -4.912 -8.648 -4.747) 11.021 7.638 ( 3.062 -9.424 -5.099) 11.144 7.958 ( 6.426 -8.420 9.228) 14.048 8.618 ( 13.365 1.773 8.323) 15.844 8.985 ( -5.361 -4.172 3.312) 7.557 10.527 ( -8.001 24.256 -11.153) 27.870 14.016 ( -10.129 7.179 4.823) 13.319 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 13.742 6.118 -6.456) 16.369 3.582 ( 13.687 -12.047 8.317) 20.040 3.874 ( -1.172 -16.988 4.001) 17.492 4.240 ( 2.129 -12.340 -8.902) 15.364 5.534 ( 11.380 -2.103 11.233) 16.128 5.854 ( -4.288 -7.346 -5.865) 10.332 7.529 ( -0.988 -12.311 -2.145) 12.536 8.059 ( 8.244 -3.819 7.856) 12.011 8.756 ( -12.632 -0.436 6.730) 14.319 8.901 ( 11.689 -7.351 1.870) 13.935 10.560 ( -11.141 23.151 -11.412) 28.113 13.986 ( -4.455 8.891 5.430) 11.331 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 0.000 -2.678 17.725) 17.926 2.647 ( 0.000 -13.775 4.644) 14.537 3.872 ( -0.000 -6.690 -4.565) 8.099 4.421 ( 0.000 -8.076 -0.501) 8.092 5.241 ( 0.000 -5.289 5.916) 7.936 6.249 ( -0.000 -5.608 -0.966) 5.691 7.155 ( -0.000 -0.772 -5.560) 5.614 7.920 ( 0.000 -15.793 9.842) 18.609 8.622 ( 0.000 -6.617 5.068) 8.335 8.843 ( -0.000 12.595 1.163) 12.648 10.563 ( -0.000 20.431 -8.119) 21.985 14.339 ( 0.000 4.832 4.287) 6.460 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -2.072 -4.614 11.602) 12.657 2.672 ( 16.703 -15.377 7.399) 23.879 3.828 ( 4.924 -8.835 -4.386) 11.025 4.322 ( -0.533 -9.935 -1.961) 10.141 5.198 ( 1.986 -10.728 6.660) 12.782 6.161 ( -1.931 -7.342 -2.951) 8.145 7.239 ( 12.520 -3.396 -5.911) 14.256 7.832 ( 1.772 -11.868 9.715) 15.439 8.516 ( -5.119 -2.376 5.574) 7.932 9.012 ( 3.093 7.678 4.379) 9.365 10.722 ( -3.122 23.369 -8.720) 25.137 14.352 ( -6.473 5.994 4.822) 10.054 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 3.417 -3.763 1.230) 5.230 2.913 ( 23.204 -15.279 10.047) 29.543 3.800 ( 4.885 -12.837 -1.728) 13.843 4.196 ( -0.115 -11.497 -5.343) 12.679 5.170 ( 7.630 -15.478 6.885) 18.579 6.025 ( -4.093 -6.377 -3.458) 8.329 7.374 ( 11.000 -9.531 -6.465) 15.926 7.826 ( 4.401 -7.050 8.648) 11.995 8.516 ( 4.038 0.790 6.832) 7.975 9.090 ( -3.652 4.401 6.098) 8.360 10.849 ( -5.994 24.609 -9.795) 27.156 14.290 ( -10.169 7.434 5.911) 13.914 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 12.394 0.678 -7.244) 14.371 3.179 ( 20.329 -16.788 8.846) 27.809 3.719 ( 1.876 -15.267 3.130) 15.697 4.052 ( 1.113 -13.302 -7.739) 15.430 5.226 ( 15.489 -17.579 5.197) 23.999 5.888 ( -5.223 -2.239 -1.312) 5.832 7.362 ( 3.853 -13.106 -4.165) 14.282 7.903 ( 7.292 -3.387 5.410) 9.692 8.668 ( 9.411 -3.345 3.715) 10.657 9.033 ( -10.664 5.759 8.449) 14.774 10.921 ( -9.152 23.534 -11.121) 27.592 14.222 ( -9.342 8.702 7.574) 14.845 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 -7.469 13.649) 15.559 2.354 ( 0.000 -19.829 6.692) 20.928 3.688 ( -0.000 -7.958 -5.049) 9.425 4.209 ( -0.000 -12.306 -2.352) 12.529 5.041 ( 0.000 -21.294 5.323) 21.950 6.099 ( -0.000 -6.264 -3.118) 6.998 7.083 ( -0.000 -2.867 -4.650) 5.463 7.752 ( 0.000 -7.770 9.026) 11.910 8.534 ( 0.000 -4.989 3.900) 6.332 9.106 ( 0.000 10.529 6.625) 12.440 10.957 ( -0.000 24.579 -7.776) 25.779 14.491 ( 0.000 6.884 5.176) 8.612 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -3.450 -9.475 6.109) 11.790 2.383 ( 20.844 -20.147 9.628) 30.547 3.613 ( 2.647 -9.379 -3.950) 10.515 4.059 ( -0.627 -14.272 -4.477) 14.971 4.848 ( 5.701 -29.066 4.146) 29.909 6.017 ( -2.004 -4.338 -2.294) 5.301 7.103 ( 7.693 -6.235 -4.460) 10.861 7.750 ( 2.024 -3.015 8.101) 8.878 8.503 ( 0.048 -1.700 3.687) 4.061 9.221 ( -1.239 7.631 7.475) 10.754 11.144 ( -3.550 24.714 -7.424) 26.048 14.531 ( -5.956 7.907 6.051) 11.602 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 6.831 -6.487 -4.614) 10.490 2.636 ( 24.892 -20.260 9.419) 33.448 3.548 ( 2.731 -11.887 0.405) 12.203 3.873 ( -0.273 -16.640 -6.825) 17.988 4.736 ( 14.791 -29.796 2.500) 33.359 5.939 ( -2.707 -1.796 -0.254) 3.259 7.134 ( 6.500 -10.156 -3.880) 12.667 7.811 ( 3.431 0.188 5.229) 6.257 8.547 ( 4.082 -0.776 2.950) 5.096 9.260 ( -5.017 6.117 7.640) 10.998 11.260 ( -7.495 23.344 -8.038) 25.802 14.506 ( -9.267 8.926 7.960) 15.130 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.000 -12.433 9.170) 15.449 1.974 ( 0.000 -24.124 8.758) 25.665 3.491 ( -0.000 -7.902 -4.962) 9.330 3.891 ( -0.000 -17.311 -6.322) 18.430 4.472 ( 0.000 -37.265 3.778) 37.456 5.985 ( -0.000 -3.882 -1.666) 4.224 6.968 ( -0.000 -5.681 -2.901) 6.378 7.759 ( 0.000 2.034 7.694) 7.959 8.500 ( 0.000 -0.551 2.010) 2.084 9.329 ( 0.000 5.679 7.639) 9.519 11.395 ( -0.000 24.207 -5.533) 24.831 14.686 ( 0.000 8.321 6.231) 10.395 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -3.505 -14.053 1.563) 14.567 2.028 ( 23.929 -23.039 10.089) 34.716 3.404 ( 1.092 -9.246 -2.651) 9.680 3.658 ( 0.010 -23.052 -9.321) 24.866 4.200 ( 9.667 -34.952 4.089) 36.494 5.938 ( -0.502 -3.156 -0.720) 3.276 6.939 ( 4.279 -7.413 -2.361) 8.879 7.830 ( 0.320 5.479 5.885) 8.046 8.519 ( 1.001 1.299 1.523) 2.238 9.384 ( -1.435 2.713 6.723) 7.390 11.570 ( -4.585 22.627 -4.797) 23.580 14.750 ( -5.107 8.828 7.408) 12.605 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 -17.120 5.612) 18.017 1.542 ( 0.000 -26.632 10.331) 28.566 3.301 ( -0.000 -38.611 -12.537) 40.596 3.309 ( -0.000 -6.658 -4.317) 7.936 3.826 ( 0.000 -26.637 6.590) 27.440 5.902 ( -0.000 -3.721 -0.814) 3.809 6.828 ( -0.000 -6.473 -1.293) 6.601 7.931 ( 0.000 9.535 5.794) 11.157 8.537 ( 0.000 2.982 0.484) 3.021 9.424 ( 0.000 -1.523 5.971) 6.162 11.815 ( -0.000 20.994 -2.818) 21.183 14.906 ( 0.000 8.510 7.349) 11.244 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 0.000 -0.000 20.723) 20.723 0.487 ( 0.000 -0.000 20.723) 20.723 0.868 ( 0.000 -0.000 37.317) 37.317 3.052 ( -0.000 0.000 -1.996) 1.996 3.052 ( -0.000 0.000 -1.996) 1.996 6.636 ( 0.000 -0.000 2.117) 2.117 6.636 ( 0.000 -0.000 2.117) 2.117 7.350 ( -0.000 0.000 -8.612) 8.612 8.678 ( -0.000 0.000 -1.710) 1.710 8.678 ( -0.000 0.000 -1.710) 1.710 12.538 ( 0.000 -0.000 4.209) 4.209 13.397 ( -0.000 0.000 -2.072) 2.072 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 21.681 12.518 14.076) 28.721 0.976 ( 21.206 12.243 16.232) 29.378 1.283 ( 28.481 16.444 21.951) 39.540 3.023 ( 0.027 0.015 -3.504) 3.504 3.203 ( 9.863 5.694 -3.235) 11.839 6.026 ( -13.778 -7.955 11.214) 19.464 6.673 ( 2.282 1.317 2.534) 3.655 8.306 ( 15.197 8.774 -19.473) 26.213 8.637 ( -2.551 -1.473 -2.205) 3.680 8.697 ( 14.811 8.551 -13.200) 21.604 12.489 ( -6.049 -3.492 5.676) 9.000 14.095 ( 34.766 20.072 -38.133) 55.368 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 15.346 8.860 15.510) 23.549 1.536 ( 22.639 13.071 12.396) 28.931 2.169 ( 38.740 22.366 6.163) 45.155 3.027 ( 1.606 0.927 -4.351) 4.730 3.483 ( 16.200 9.353 -1.843) 18.797 5.898 ( -2.915 -1.683 2.975) 4.492 6.759 ( 4.270 2.465 2.924) 5.732 8.215 ( -7.385 -4.264 -2.130) 8.789 8.554 ( -3.576 -2.065 -2.594) 4.877 9.063 ( 14.849 8.573 -16.878) 24.059 12.322 ( -10.478 -6.050 8.843) 14.987 14.402 ( 7.115 4.108 -33.302) 34.301 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 15.690 9.058 9.806) 20.600 2.091 ( 22.100 12.759 8.901) 27.027 2.969 ( 28.468 16.436 1.612) 32.912 3.061 ( 2.749 1.587 -4.240) 5.296 3.964 ( 26.437 15.263 -0.332) 30.528 5.850 ( -2.076 -1.199 -1.867) 3.039 6.881 ( 5.030 2.904 3.260) 6.660 8.084 ( -3.162 -1.825 0.540) 3.690 8.473 ( -2.086 -1.204 -2.845) 3.728 9.198 ( 1.786 1.031 -14.227) 14.376 12.093 ( -13.177 -7.608 13.515) 20.351 14.298 ( -4.052 -2.339 -26.911) 27.315 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 14.531 8.389 3.626) 17.166 2.598 ( 19.644 11.341 4.353) 23.097 3.119 ( 3.345 1.931 -2.123) 4.408 3.492 ( 18.170 10.490 0.824) 20.997 4.631 ( 29.964 17.300 -1.279) 34.623 5.779 ( -3.031 -1.750 -4.283) 5.531 6.993 ( 3.147 1.817 3.577) 5.100 8.088 ( 3.181 1.836 1.935) 4.151 8.462 ( 2.546 1.470 -3.017) 4.213 9.033 ( -10.896 -6.291 -15.367) 19.860 11.806 ( -17.503 -10.105 15.809) 25.659 14.103 ( -3.454 -1.994 -20.487) 20.871 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 11.695 6.752 -2.843) 13.800 2.990 ( 13.545 7.820 -6.040) 16.766 3.215 ( 5.374 3.102 6.836) 9.232 3.852 ( 13.262 7.657 2.457) 15.509 5.235 ( 22.476 12.977 -6.697) 26.803 5.699 ( -1.966 -1.135 -1.814) 2.906 7.041 ( -0.104 -0.060 3.832) 3.834 8.229 ( 7.511 4.337 -0.537) 8.690 8.570 ( 7.592 4.383 -3.182) 9.326 8.636 ( -16.900 -9.758 -12.613) 23.236 11.389 ( -23.471 -13.551 12.180) 29.713 14.031 ( 2.466 1.424 -11.720) 12.061 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 7.737 4.467 -9.465) 13.015 3.148 ( 5.000 2.887 -10.835) 12.278 3.430 ( 8.361 4.827 11.210) 14.794 4.126 ( 9.544 5.510 4.656) 11.964 5.484 ( 2.945 1.700 -13.730) 14.145 5.801 ( 10.591 6.115 4.587) 13.061 7.029 ( -1.847 -1.066 3.881) 4.429 8.088 ( -15.288 -8.827 -14.229) 22.674 8.557 ( 10.371 5.988 4.218) 12.696 8.756 ( 8.893 5.134 -3.359) 10.804 10.856 ( -25.316 -14.616 7.107) 30.084 14.100 ( 5.396 3.116 -4.950) 7.958 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 3.167 1.828 -15.419) 15.847 3.192 ( 2.318 1.338 -8.610) 9.017 3.621 ( 4.595 2.653 9.215) 10.634 4.318 ( 5.318 3.071 6.180) 8.712 5.463 ( 0.731 0.422 -9.551) 9.588 6.044 ( 8.276 4.778 2.670) 9.922 6.999 ( -1.834 -1.059 3.681) 4.246 7.778 ( -6.430 -3.713 -5.040) 8.974 8.820 ( 9.866 5.696 0.249) 11.396 8.919 ( 5.948 3.434 -3.509) 7.713 10.339 ( -20.288 -11.714 4.205) 23.802 14.203 ( 4.190 2.419 -1.956) 5.218 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -1.382 -0.798 -19.481) 19.547 3.187 ( -0.238 -0.137 -7.913) 7.918 3.707 ( 0.060 0.034 8.731) 8.732 4.409 ( 0.460 0.265 6.670) 6.691 5.465 ( 2.237 1.291 -7.291) 7.735 6.186 ( 2.764 1.596 4.182) 5.260 6.979 ( -0.970 -0.560 3.351) 3.533 7.801 ( 8.546 4.934 4.739) 10.948 8.913 ( -3.020 -1.744 -4.994) 6.091 8.983 ( 0.660 0.381 -3.542) 3.623 10.052 ( -3.939 -2.274 2.636) 5.257 14.265 ( 1.784 1.030 -0.647) 2.160 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -5.415 -3.126 -21.078) 21.986 3.108 ( -4.298 -2.482 -8.752) 10.062 3.698 ( -3.473 -2.005 9.134) 9.976 4.392 ( -4.042 -2.333 6.849) 8.288 5.502 ( 2.750 1.587 -6.765) 7.473 6.191 ( -4.217 -2.435 6.737) 8.312 6.981 ( 0.053 0.031 3.053) 3.054 8.166 ( 19.071 11.010 9.952) 24.165 8.665 ( -13.924 -8.039 -7.024) 17.545 8.923 ( -4.557 -2.631 -3.350) 6.238 10.166 ( 11.466 6.620 -1.582) 13.333 14.294 ( 1.204 0.695 1.122) 1.786 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -8.926 -5.153 -20.607) 23.041 2.908 ( -10.232 -5.908 -10.226) 15.626 3.631 ( -5.218 -3.013 9.248) 11.038 4.281 ( -7.907 -4.565 7.213) 11.635 5.485 ( -3.923 -2.265 -7.869) 9.079 6.070 ( -7.447 -4.300 9.245) 12.626 6.999 ( 0.323 0.187 2.779) 2.804 8.261 ( -13.461 -7.772 -9.076) 17.999 8.719 ( 20.278 11.707 9.735) 25.358 8.769 ( -7.281 -4.204 -2.827) 8.870 10.488 ( 17.095 9.870 -4.813) 20.318 14.354 ( 3.749 2.165 3.553) 5.600 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -11.922 -6.883 -18.377) 22.961 2.562 ( -16.378 -9.456 -11.214) 21.986 3.536 ( -5.867 -3.388 8.219) 10.652 4.086 ( -11.651 -6.727 7.858) 15.580 5.170 ( -21.522 -12.426 -5.724) 25.502 5.989 ( -2.351 -1.357 6.423) 6.973 7.001 ( -1.373 -0.793 2.307) 2.799 7.965 ( -8.128 -4.693 -9.166) 13.119 8.603 ( -5.751 -3.320 -1.924) 6.914 9.158 ( 14.535 8.392 3.193) 17.085 10.898 ( 19.961 11.525 -3.422) 23.302 14.501 ( 7.642 4.412 4.403) 9.862 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -14.060 -8.117 -13.858) 21.345 2.089 ( -20.835 -12.029 -11.377) 26.613 3.426 ( -6.106 -3.525 6.413) 9.531 3.799 ( -16.841 -9.723 9.453) 21.622 4.520 ( -31.724 -18.316 -4.530) 36.910 5.962 ( -2.224 -1.284 2.417) 3.526 6.942 ( -4.397 -2.539 1.649) 5.338 7.847 ( 0.776 0.448 -7.712) 7.764 8.517 ( -1.065 -0.615 -0.935) 1.545 9.390 ( 5.940 3.430 -2.950) 7.467 11.361 ( 20.532 11.854 0.225) 23.710 14.716 ( 9.470 5.467 1.150) 10.995 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 0.000 9.968 12.981) 16.366 1.007 ( 0.000 8.047 26.948) 28.123 1.579 ( 0.000 45.645 17.607) 48.923 3.105 ( -0.000 4.702 -1.168) 4.845 3.111 ( -0.000 8.312 -5.865) 10.172 6.063 ( 0.000 -17.842 10.794) 20.853 6.675 ( 0.000 2.335 2.623) 3.511 8.182 ( -0.000 19.296 -20.095) 27.860 8.648 ( -0.000 -2.084 -1.971) 2.868 8.667 ( -0.000 14.204 -11.442) 18.240 12.508 ( 0.000 -7.340 6.096) 9.541 13.977 ( -0.000 38.925 -32.113) 50.462 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 33.761 9.477 7.406) 35.840 1.259 ( 9.896 4.885 22.713) 25.252 2.183 ( 9.334 46.714 10.089) 48.694 3.080 ( -3.399 8.040 -2.978) 9.222 3.329 ( 11.651 9.684 -3.284) 15.501 5.939 ( -3.075 -4.964 5.102) 7.755 6.742 ( 2.779 3.807 3.061) 5.620 8.175 ( -0.011 -10.831 -5.408) 12.106 8.589 ( -2.716 -2.225 -2.375) 4.239 8.902 ( 9.640 18.857 -17.810) 27.672 12.401 ( -4.735 -10.544 8.239) 14.195 14.246 ( 6.551 17.356 -32.899) 37.769 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 14.759 2.730 15.839) 21.821 1.817 ( 29.417 12.235 5.072) 32.261 2.800 ( 12.387 27.834 -0.293) 30.467 3.150 ( -0.185 16.659 1.572) 16.734 3.711 ( 20.649 15.638 -1.908) 25.973 5.878 ( -2.645 -1.034 0.147) 2.843 6.863 ( 4.027 5.790 3.610) 7.923 8.038 ( 0.026 -10.699 -1.947) 10.874 8.511 ( -2.912 -0.671 -2.831) 4.117 9.104 ( 5.155 5.947 -14.744) 16.713 12.217 ( -7.493 -12.597 12.217) 19.081 14.257 ( -2.823 4.151 -28.514) 28.953 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 16.285 0.945 7.203) 17.832 2.413 ( 21.944 15.464 3.973) 27.138 3.065 ( 5.060 7.323 -6.829) 11.219 3.455 ( 6.711 22.754 5.735) 24.407 4.319 ( 27.401 20.877 -1.607) 34.486 5.813 ( -3.659 -0.331 -2.719) 4.571 7.006 ( 2.808 7.297 4.175) 8.864 7.982 ( 4.853 -7.469 -0.738) 8.938 8.476 ( -0.545 2.970 -3.121) 4.343 9.059 ( -5.210 -3.987 -14.520) 15.933 11.983 ( -10.698 -14.921 15.686) 24.148 14.088 ( -5.769 0.351 -23.163) 23.873 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 15.489 -2.030 -0.910) 15.648 2.892 ( 13.107 17.727 -0.626) 22.055 3.192 ( 5.257 6.364 -1.819) 8.452 3.794 ( 7.802 16.188 5.365) 18.754 4.952 ( 24.067 16.261 -5.493) 29.561 5.737 ( -3.601 0.682 -1.864) 4.112 7.114 ( -1.224 7.758 4.544) 9.074 8.048 ( 10.103 -5.245 -1.908) 11.542 8.545 ( 3.871 7.720 -3.638) 9.371 8.765 ( -14.016 -8.075 -12.996) 20.750 11.639 ( -17.596 -17.872 13.744) 28.599 13.961 ( -0.065 0.681 -14.819) 14.835 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 13.182 -5.561 -8.222) 16.501 3.164 ( 1.439 16.685 -9.450) 19.229 3.403 ( 9.044 8.124 7.650) 14.364 4.081 ( 6.944 11.625 6.173) 14.881 5.342 ( 11.061 4.963 -13.272) 17.976 5.753 ( 3.628 5.860 4.350) 8.150 7.155 ( -5.077 8.735 4.548) 11.079 8.097 ( -0.481 -10.147 -11.730) 15.517 8.469 ( -1.734 -1.438 -2.877) 3.654 8.729 ( 6.054 11.795 -1.667) 13.362 11.140 ( -23.203 -18.811 8.458) 31.045 13.986 ( 6.200 0.234 -6.670) 9.110 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 10.041 -8.823 -14.072) 19.408 3.267 ( -2.544 15.016 -9.724) 18.070 3.646 ( 4.696 9.112 8.454) 13.288 4.301 ( 4.670 7.283 6.694) 10.939 5.400 ( 2.376 -0.002 -11.512) 11.755 5.960 ( 8.430 6.266 3.586) 11.099 7.165 ( -7.281 11.945 4.516) 14.700 7.820 ( -8.415 -8.266 -8.535) 14.560 8.609 ( 12.296 0.188 -1.107) 12.347 8.947 ( 4.762 13.102 -1.878) 14.066 10.583 ( -22.492 -17.054 4.884) 28.646 14.089 ( 7.743 -1.867 -2.578) 8.371 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 6.453 -11.392 -18.013) 22.269 3.307 ( -5.567 14.156 -9.426) 17.895 3.795 ( -1.030 8.072 8.475) 11.749 4.428 ( 1.341 2.597 6.442) 7.074 5.402 ( 2.548 0.543 -8.370) 8.767 6.144 ( 5.748 2.722 3.376) 7.200 7.174 ( -9.942 15.479 4.166) 18.863 7.712 ( 4.827 -1.553 1.334) 5.243 8.770 ( 7.512 -3.133 -4.534) 9.317 9.099 ( -1.411 11.098 -3.490) 11.719 10.135 ( -12.369 -11.738 3.827) 17.476 14.174 ( 6.297 -4.142 -1.259) 7.642 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 2.726 -13.295 -19.750) 23.964 3.279 ( -9.500 13.002 -9.688) 18.792 3.837 ( -5.956 6.272 8.647) 12.230 4.448 ( -2.158 -1.591 6.071) 6.637 5.438 ( 3.437 1.653 -6.966) 7.942 6.222 ( 0.479 -1.490 4.892) 5.136 7.160 ( -10.315 14.520 3.833) 18.219 7.964 ( 17.864 6.136 8.537) 20.728 8.714 ( -5.878 -8.171 -7.162) 12.354 9.061 ( -9.081 5.762 -4.703) 11.738 10.035 ( 6.539 -1.445 1.741) 6.920 14.219 ( 5.125 -5.076 -0.269) 7.218 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -0.930 -14.659 -19.254) 24.217 3.153 ( -15.247 11.408 -10.601) 21.794 3.790 ( -8.866 4.031 8.624) 13.008 4.374 ( -5.370 -4.565 6.155) 9.358 5.476 ( 1.024 1.451 -7.547) 7.753 6.164 ( -5.379 -5.438 7.297) 10.572 7.145 ( -8.608 12.119 4.002) 15.394 8.387 ( -5.590 0.111 -4.326) 7.069 8.429 ( 12.155 -4.217 2.727) 13.152 8.944 ( -7.975 5.721 -1.969) 10.010 10.259 ( 16.123 4.171 -1.896) 16.761 14.270 ( 6.336 -3.837 1.336) 7.526 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -4.446 -15.253 -16.568) 22.954 2.893 ( -22.262 9.607 -11.391) 26.789 3.689 ( -9.554 1.728 7.635) 12.352 4.222 ( -8.722 -6.599 6.556) 12.751 5.362 ( -12.429 -3.854 -7.541) 15.040 6.039 ( -4.230 -5.181 7.602) 10.126 7.125 ( -7.726 8.326 3.849) 11.993 8.053 ( -12.108 -5.648 -9.120) 16.177 8.617 ( 0.247 -3.925 -2.999) 4.946 9.038 ( 9.575 9.994 3.159) 14.196 10.628 ( 20.927 6.985 -1.409) 22.107 14.385 ( 9.352 -1.247 2.110) 9.668 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -7.673 -14.231 -11.095) 19.608 2.503 ( -28.298 8.572 -11.360) 31.675 3.559 ( -9.171 -0.580 5.558) 10.739 3.992 ( -12.628 -8.408 7.185) 16.786 4.896 ( -29.347 -10.427 -4.380) 31.451 5.985 ( -1.265 -2.673 3.327) 4.451 7.060 ( -8.269 3.401 3.142) 9.477 7.841 ( -4.315 -1.018 -7.957) 9.109 8.538 ( -2.722 -0.651 -2.588) 3.812 9.283 ( 8.941 3.624 -3.103) 10.134 11.088 ( 23.059 8.276 2.116) 24.590 14.569 ( 11.386 0.489 -0.417) 11.405 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.000 19.220 5.877) 20.098 1.302 ( 0.000 2.588 23.865) 24.005 2.644 ( 0.000 50.036 7.467) 50.590 3.219 ( -0.000 7.335 -0.501) 7.352 3.287 ( -0.000 13.987 -5.350) 14.976 5.938 ( 0.000 -3.449 4.356) 5.556 6.771 ( 0.000 5.153 3.211) 6.072 8.033 ( -0.000 -12.608 -4.968) 13.551 8.571 ( -0.000 -3.811 -2.425) 4.518 8.952 ( -0.000 17.617 -16.326) 24.019 12.348 ( 0.000 -14.185 9.048) 16.825 14.261 ( -0.000 16.554 -30.274) 34.504 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 21.949 10.293 14.917) 28.464 1.478 ( 12.937 7.209 7.938) 16.803 3.052 ( -5.777 29.722 -2.854) 30.412 3.365 ( 1.710 25.264 6.105) 26.048 3.546 ( 15.460 16.282 -4.287) 22.858 5.915 ( -1.883 -0.241 1.476) 2.404 6.875 ( 3.553 7.006 3.812) 8.732 7.897 ( 0.906 -12.534 -3.282) 12.988 8.510 ( -1.086 -3.438 -3.204) 4.824 9.060 ( 2.343 8.388 -13.891) 16.395 12.204 ( -3.089 -16.743 11.559) 20.578 14.264 ( -2.568 8.216 -27.227) 28.556 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 12.315 -2.245 11.517) 17.010 2.129 ( 29.315 15.674 3.480) 33.423 3.150 ( -3.689 16.911 -7.238) 18.761 3.649 ( 1.537 21.948 5.264) 22.623 4.112 ( 22.250 26.579 -1.928) 34.716 5.875 ( -3.588 1.364 -0.949) 3.954 7.051 ( 4.652 10.009 4.877) 12.067 7.812 ( 3.650 -9.654 -2.375) 10.591 8.462 ( 0.892 -1.822 -4.836) 5.244 9.051 ( -2.670 -0.650 -12.384) 12.685 12.005 ( -5.320 -19.136 14.629) 24.668 14.133 ( -7.146 3.212 -23.223) 24.509 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 13.601 -4.794 2.806) 14.692 2.757 ( 23.952 15.021 4.639) 28.651 3.237 ( -1.683 15.999 -8.303) 18.104 3.911 ( 3.227 18.573 5.724) 19.701 4.716 ( 21.037 19.884 -5.195) 29.409 5.821 ( -4.379 3.141 -0.694) 5.434 7.241 ( 1.277 12.512 5.769) 13.837 7.819 ( 7.736 -6.781 -3.160) 10.762 8.486 ( 5.500 0.548 -7.817) 9.573 8.870 ( -9.733 -3.680 -9.586) 14.148 11.732 ( -10.078 -21.860 14.553) 28.129 13.959 ( -5.498 1.547 -16.742) 17.690 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 12.616 -7.412 -4.750) 15.383 3.273 ( 17.230 13.419 5.944) 22.634 3.341 ( -1.642 17.044 -8.930) 19.312 4.164 ( 3.299 15.813 6.516) 17.419 5.135 ( 14.190 7.857 -10.951) 19.571 5.815 ( -1.440 6.896 2.981) 7.649 7.367 ( -3.833 13.133 5.406) 14.711 7.888 ( 8.147 -6.543 -6.771) 12.451 8.506 ( -2.982 -1.668 -12.991) 13.432 8.737 ( 2.019 6.942 0.596) 7.254 11.321 ( -17.267 -22.841 10.220) 30.403 13.881 ( 1.451 -0.449 -8.669) 8.801 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 10.320 -9.588 -10.679) 17.677 3.439 ( -1.821 15.618 -9.206) 18.220 3.662 ( 9.438 13.762 7.239) 18.190 4.371 ( 1.463 12.112 6.446) 13.798 5.289 ( 5.921 0.839 -12.281) 13.659 5.933 ( 3.963 7.486 4.377) 9.535 7.431 ( -4.893 13.070 4.223) 14.581 7.835 ( -4.273 -4.424 -8.680) 10.638 8.465 ( 4.051 3.435 -4.207) 6.776 8.947 ( 8.599 10.539 -1.381) 13.671 10.794 ( -21.160 -21.244 5.936) 30.567 13.914 ( 6.695 -3.970 -3.311) 8.459 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 7.357 -11.149 -14.604) 19.792 3.510 ( -3.900 15.464 -9.650) 18.641 3.925 ( 2.550 12.560 8.525) 15.392 4.489 ( -1.313 6.653 5.388) 8.661 5.328 ( 3.387 1.179 -9.515) 10.168 6.089 ( 5.254 3.614 3.684) 7.364 7.531 ( -0.007 14.322 4.892) 15.135 7.679 ( -9.793 4.372 -2.325) 10.974 8.605 ( 8.243 2.318 -5.069) 9.950 9.170 ( 4.859 10.450 -2.805) 11.861 10.267 ( -18.063 -18.115 4.142) 25.916 13.980 ( 8.082 -7.389 -1.425) 11.043 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 4.047 -12.023 -16.220) 20.591 3.532 ( -7.015 15.029 -10.075) 19.407 4.061 ( -4.463 11.565 9.127) 15.394 4.501 ( -3.392 0.482 4.331) 5.522 5.373 ( 3.343 2.780 -7.544) 8.707 6.194 ( 3.159 -0.721 4.123) 5.244 7.575 ( -13.016 13.692 2.889) 19.111 7.783 ( 11.287 12.095 6.987) 17.959 8.685 ( 0.879 -0.410 -7.180) 7.245 9.242 ( -5.839 6.335 -5.518) 10.231 9.940 ( -1.921 -10.801 4.153) 11.730 14.029 ( 7.886 -9.122 -0.886) 12.091 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.558 -11.946 -15.330) 19.443 3.482 ( -11.615 14.393 -10.824) 21.430 4.068 ( -10.896 9.775 8.694) 17.025 4.428 ( -4.284 -4.446 4.408) 7.586 5.434 ( 2.967 3.563 -7.445) 8.770 6.199 ( -1.716 -4.961 5.615) 7.686 7.508 ( -12.910 13.986 4.890) 19.652 8.166 ( 15.681 8.461 5.072) 18.526 8.543 ( -11.386 -1.730 -7.264) 13.616 9.119 ( -8.404 3.369 -4.021) 9.907 10.011 ( 13.568 -2.165 1.327) 13.803 14.079 ( 8.704 -8.327 -0.206) 12.047 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -2.988 -10.186 -11.771) 15.850 3.325 ( -18.140 13.482 -11.633) 25.419 3.956 ( -13.990 5.601 6.775) 16.523 4.305 ( -5.967 -6.584 5.610) 10.508 5.452 ( -2.738 2.562 -8.638) 9.417 6.089 ( -5.426 -7.688 7.332) 11.929 7.433 ( -12.932 10.815 5.485) 17.728 8.179 ( -11.661 -6.153 -8.232) 15.543 8.536 ( 5.884 7.410 -2.720) 9.845 9.052 ( -1.228 3.486 0.301) 3.708 10.317 ( 20.666 2.645 1.435) 20.884 14.176 ( 11.025 -5.706 0.006) 12.414 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -6.340 -5.544 -5.114) 9.853 3.036 ( -25.199 12.310 -11.336) 30.250 3.770 ( -13.218 0.618 3.613) 13.717 4.128 ( -9.561 -7.372 6.528) 13.725 5.245 ( -19.669 -1.770 -6.402) 20.760 5.979 ( -1.431 -5.628 4.655) 7.443 7.309 ( -13.013 5.106 4.959) 14.832 7.919 ( -9.131 -1.209 -7.513) 11.886 8.584 ( -2.960 3.916 -5.189) 7.143 9.144 ( 7.988 0.478 -2.917) 8.517 10.762 ( 24.187 5.497 5.108) 25.324 14.336 ( 12.913 -3.555 -2.222) 13.576 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 21.876 3.459) 22.148 1.466 ( 0.000 -1.477 16.962) 17.026 3.382 ( -0.000 9.214 -0.172) 9.216 3.528 ( -0.000 25.920 -9.981) 27.775 3.669 ( 0.000 36.398 7.560) 37.175 5.943 ( 0.000 1.454 1.041) 1.788 6.924 ( 0.000 7.352 3.814) 8.283 7.757 ( -0.000 -11.105 -2.792) 11.451 8.472 ( -0.000 -3.741 -3.054) 4.830 9.059 ( -0.000 4.553 -13.113) 13.881 12.092 ( 0.000 -19.767 12.282) 23.272 14.272 ( -0.000 7.101 -24.778) 25.776 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 6.027 -3.592 12.544) 14.373 1.848 ( 21.971 19.632 2.778) 29.595 3.396 ( -6.634 14.784 -3.380) 16.553 3.784 ( 5.722 15.845 -1.883) 16.951 4.144 ( 8.952 35.688 0.581) 36.798 5.947 ( -2.279 3.095 -0.315) 3.856 7.069 ( 5.865 9.013 4.532) 11.669 7.666 ( 1.749 -8.066 -2.026) 8.498 8.413 ( -0.993 -3.050 -4.482) 5.512 9.029 ( -0.580 -0.843 -11.732) 11.776 11.914 ( -2.101 -22.259 13.826) 26.287 14.198 ( -5.103 4.427 -21.526) 22.561 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 9.385 -5.548 5.749) 12.325 2.469 ( 26.678 15.496 3.525) 31.052 3.448 ( -4.280 17.922 -5.069) 19.110 4.029 ( 5.175 15.025 2.061) 16.024 4.624 ( 12.120 23.959 -4.392) 27.207 5.933 ( -3.646 5.268 -0.340) 6.416 7.320 ( 7.599 12.404 5.603) 15.588 7.646 ( 4.193 -4.615 -2.219) 6.618 8.358 ( 1.834 -3.519 -8.265) 9.168 8.931 ( -4.194 -2.045 -8.848) 10.003 11.678 ( -4.810 -24.767 14.146) 28.925 14.040 ( -8.058 2.645 -16.678) 18.710 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 10.163 -7.270 -0.846) 12.524 3.043 ( 22.478 10.593 3.614) 25.110 3.565 ( -2.391 21.356 -5.258) 22.123 4.275 ( 4.942 14.381 4.434) 15.840 4.966 ( 10.429 10.396 -8.949) 17.232 5.942 ( -2.949 8.187 1.575) 8.843 7.546 ( 0.970 10.384 2.928) 10.832 7.704 ( 5.828 0.917 -1.319) 6.045 8.375 ( 8.342 -1.875 -12.235) 14.926 8.819 ( -4.682 2.548 -3.216) 6.226 11.350 ( -9.916 -26.156 11.479) 30.236 13.882 ( -5.526 0.615 -10.150) 11.574 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 9.081 -8.419 -6.268) 13.879 3.438 ( 12.179 6.984 -0.860) 14.066 3.764 ( 1.758 22.444 -0.068) 22.513 4.502 ( 2.374 13.640 5.329) 14.835 5.133 ( 7.639 1.671 -11.101) 13.579 6.003 ( -0.827 8.186 3.104) 8.794 7.560 ( -2.537 -0.655 -3.729) 4.557 7.847 ( 3.075 10.907 1.208) 11.397 8.475 ( 2.730 7.357 -8.623) 11.659 8.867 ( 7.264 5.705 -0.793) 9.271 10.910 ( -15.628 -25.010 7.403) 30.406 13.798 ( 0.176 -3.104 -4.400) 5.388 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 6.896 -8.829 -9.962) 14.991 3.625 ( 2.909 9.928 -6.372) 12.150 4.029 ( 3.908 15.934 6.457) 17.632 4.639 ( -2.989 10.560 4.384) 11.818 5.223 ( 6.562 1.689 -10.096) 12.159 6.083 ( 1.185 4.236 3.640) 5.710 7.501 ( 1.176 -3.282 -2.839) 4.496 8.014 ( -2.858 20.126 2.552) 20.488 8.551 ( 0.450 9.297 -5.043) 10.586 9.106 ( 11.332 6.716 -2.689) 13.444 10.401 ( -18.062 -22.144 4.600) 28.944 13.781 ( 4.731 -7.368 -1.555) 8.893 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 4.155 -8.386 -11.466) 14.800 3.712 ( -1.857 11.940 -8.513) 14.781 4.232 ( 1.200 9.903 9.089) 13.495 4.641 ( -7.481 5.760 2.818) 9.853 5.320 ( 4.383 5.329 -8.544) 10.982 6.148 ( 2.444 -0.939 4.189) 4.940 7.543 ( 7.174 -2.535 0.814) 7.652 8.158 ( -9.721 27.814 5.800) 30.029 8.642 ( 3.031 6.340 -6.992) 9.913 9.302 ( 4.314 5.638 -4.745) 8.539 9.935 ( -12.394 -18.399 4.299) 22.597 13.793 ( 7.178 -10.010 -0.852) 12.347 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 1.218 -6.705 -10.398) 12.433 3.732 ( -6.215 12.546 -9.843) 17.115 4.333 ( -2.580 5.459 10.292) 11.932 4.528 ( -10.809 1.689 1.621) 11.059 5.407 ( 2.349 6.865 -8.184) 10.937 6.169 ( 1.283 -5.447 4.996) 7.502 7.657 ( 5.777 -1.277 2.726) 6.514 8.278 ( -8.320 22.834 4.466) 24.709 8.683 ( -4.313 7.112 -5.886) 10.189 9.267 ( -8.241 1.091 -5.885) 10.186 9.770 ( 8.446 -9.612 4.261) 13.487 13.828 ( 9.023 -9.704 -0.721) 13.270 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -1.614 -3.040 -6.572) 7.418 3.665 ( -11.504 12.147 -11.001) 20.023 4.309 ( -16.423 5.910 5.124) 18.190 4.343 ( -3.463 -6.067 6.144) 9.303 5.471 ( 0.810 6.579 -9.032) 11.203 6.110 ( -2.752 -8.372 6.209) 10.780 7.691 ( -3.655 1.102 3.864) 5.432 8.271 ( -9.115 2.458 -6.184) 11.286 8.653 ( -6.328 14.407 -1.766) 15.834 9.123 ( -6.154 -1.069 -2.750) 6.825 9.988 ( 19.762 -1.250 4.438) 20.293 13.915 ( 11.214 -6.984 -0.998) 13.249 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -3.975 3.186 -0.225) 5.099 3.486 ( -18.093 11.038 -11.171) 23.958 4.032 ( -16.150 -2.883 -0.102) 16.406 4.241 ( -8.043 -4.067 9.293) 12.946 5.462 ( -6.786 5.746 -9.680) 13.145 5.975 ( -4.249 -8.835 6.460) 11.741 7.582 ( -11.324 -0.008 4.587) 12.218 8.057 ( -10.806 0.194 -7.834) 13.348 8.703 ( -4.171 12.470 -6.689) 14.753 9.017 ( 0.734 -6.824 -2.096) 7.177 10.415 ( 24.447 3.803 8.159) 26.051 14.061 ( 12.755 -4.298 -2.964) 13.782 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.000 -4.761 10.404) 11.442 1.867 ( -0.000 21.459 2.861) 21.649 3.573 ( -0.000 9.937 -0.259) 9.940 3.873 ( -0.000 18.164 -5.061) 18.856 4.422 ( -0.000 31.850 -0.755) 31.859 6.003 ( -0.000 4.468 -1.140) 4.611 7.103 ( 0.000 7.070 4.184) 8.216 7.582 ( -0.000 -4.639 -0.982) 4.742 8.395 ( -0.000 -0.924 -3.569) 3.687 8.967 ( -0.000 -3.082 -11.474) 11.880 11.751 ( 0.000 -24.582 13.583) 28.085 14.211 ( -0.000 3.989 -18.776) 19.195 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 4.509 -6.087 6.982) 10.302 2.250 ( 17.866 18.210 2.995) 25.686 3.650 ( -2.022 12.925 -1.795) 13.205 4.073 ( 4.849 14.427 -2.022) 15.354 4.722 ( 3.381 22.876 -3.730) 23.423 6.032 ( -1.595 5.987 -1.847) 6.465 7.272 ( 9.647 7.284 3.966) 12.722 7.567 ( 1.707 -0.708 -0.495) 1.914 8.339 ( -4.300 -0.301 -5.229) 6.777 8.902 ( 0.632 -2.542 -9.106) 9.475 11.531 ( -2.024 -26.523 13.056) 29.632 14.132 ( -5.583 3.042 -14.940) 16.236 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 6.926 -6.931 2.680) 10.158 2.778 ( 22.390 12.742 3.271) 25.969 3.770 ( -0.231 17.251 -3.116) 17.532 4.298 ( 7.150 10.946 1.088) 13.120 4.936 ( 3.234 12.069 -6.327) 14.006 6.064 ( -1.591 7.545 -1.303) 7.820 7.522 ( 5.909 4.514 -3.150) 8.076 7.678 ( 10.296 7.922 5.955) 14.290 8.226 ( -2.259 -2.000 -8.808) 9.310 8.876 ( -0.469 2.150 -5.083) 5.539 11.249 ( -5.038 -27.746 11.188) 30.338 13.984 ( -8.384 1.748 -10.027) 13.187 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 7.286 -7.023 -1.343) 10.208 3.243 ( 18.096 7.614 2.341) 19.772 3.955 ( 1.170 19.788 -2.254) 19.951 4.547 ( 8.680 10.023 3.279) 13.659 5.027 ( 2.182 3.495 -7.959) 8.962 6.112 ( -1.344 7.144 -0.140) 7.271 7.553 ( -1.509 0.755 -7.015) 7.215 7.953 ( 1.743 12.512 7.253) 14.567 8.305 ( 17.787 3.551 -9.018) 20.256 8.885 ( -1.482 5.840 -2.024) 6.355 10.890 ( -9.306 -27.319 8.119) 29.980 13.824 ( -7.072 -0.721 -5.120) 8.760 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 6.118 -6.306 -4.404) 9.828 3.561 ( 11.138 5.911 -0.566) 12.622 4.162 ( 1.616 16.318 1.506) 16.467 4.786 ( 2.583 11.409 4.689) 12.603 5.066 ( 6.787 -0.170 -9.302) 11.516 6.147 ( -1.684 4.341 1.299) 4.834 7.471 ( -3.059 -1.344 -5.308) 6.272 8.145 ( 5.126 14.502 1.890) 15.497 8.657 ( 9.042 14.130 -3.394) 17.115 8.946 ( 6.116 3.547 -1.980) 7.342 10.458 ( -13.353 -25.025 5.209) 28.839 13.698 ( -3.097 -4.329 -1.851) 5.635 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 4.169 -4.724 -5.940) 8.659 3.755 ( 5.228 7.229 -3.800) 9.697 4.323 ( 0.971 8.446 4.891) 9.808 4.838 ( -6.280 5.776 2.710) 8.952 5.235 ( 10.168 7.268 -7.506) 14.579 6.145 ( -1.698 -0.625 2.834) 3.362 7.433 ( 2.336 -1.164 -1.758) 3.147 8.429 ( 7.641 18.551 1.088) 20.093 8.773 ( -8.266 14.688 -0.861) 16.876 9.170 ( 13.549 2.635 -4.266) 14.447 9.996 ( -14.669 -21.649 3.584) 26.395 13.620 ( 1.473 -7.291 -0.626) 7.465 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 2.110 -1.921 -5.395) 6.103 3.861 ( 0.092 8.907 -6.545) 11.053 4.392 ( -0.486 0.233 6.149) 6.173 4.760 ( -8.774 3.295 2.714) 9.758 5.427 ( 3.532 11.810 -7.780) 14.577 6.106 ( 0.114 -6.682 4.443) 8.025 7.509 ( 7.455 -1.390 0.064) 7.584 8.696 ( -11.923 16.661 4.425) 20.960 8.771 ( 4.485 14.508 -4.887) 15.952 9.332 ( 2.789 2.307 -5.327) 6.440 9.608 ( -5.725 -17.921 4.660) 19.382 13.605 ( 5.752 -7.411 -0.515) 9.395 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 0.390 2.599 -2.567) 3.673 3.879 ( -5.409 9.504 -8.993) 14.159 4.354 ( -3.028 -6.365 4.870) 8.567 4.624 ( -11.906 2.093 4.867) 13.031 5.524 ( -1.364 11.164 -9.135) 14.489 6.057 ( 1.089 -9.465 5.762) 11.134 7.624 ( 7.200 -2.448 -0.691) 7.637 8.531 ( -16.232 4.623 -3.751) 17.290 8.906 ( -6.685 9.917 0.166) 11.961 9.238 ( -8.928 1.467 -4.226) 9.986 9.650 ( 18.474 -4.744 6.517) 20.156 13.673 ( 9.234 -4.445 -0.898) 10.287 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -0.788 8.691 1.921) 8.936 3.790 ( -11.213 8.351 -10.132) 17.267 4.184 ( -9.206 -9.046 -0.140) 12.907 4.440 ( -12.416 -1.457 8.944) 15.371 5.554 ( -1.812 8.606 -10.531) 13.721 5.981 ( -2.741 -8.457 6.406) 10.957 7.666 ( 0.275 -3.442 -0.445) 3.481 8.254 ( -14.740 0.759 -6.986) 16.330 8.828 ( -3.976 -1.668 -3.105) 5.313 9.069 ( -11.490 2.682 -2.207) 12.003 10.061 ( 24.438 2.759 9.324) 26.301 13.817 ( 10.886 -0.904 -2.298) 11.163 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 -6.760 7.226) 9.895 2.285 ( 0.000 18.156 2.724) 18.359 3.763 ( -0.000 9.382 -0.768) 9.414 4.167 ( -0.000 14.213 -2.786) 14.484 4.884 ( -0.000 17.107 -4.126) 17.597 6.091 ( -0.000 5.790 -3.855) 6.956 7.241 ( 0.000 3.531 3.448) 4.935 7.564 ( -0.000 3.123 -0.466) 3.157 8.400 ( -0.000 4.117 -2.968) 5.075 8.824 ( -0.000 -2.603 -8.210) 8.612 11.327 ( 0.000 -27.439 11.594) 29.787 14.160 ( -0.000 2.798 -12.041) 12.362 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 3.372 -6.828 6.327) 9.901 2.596 ( 14.461 14.103 2.958) 20.415 3.875 ( 2.754 10.835 -1.716) 11.311 4.311 ( 2.982 10.567 -1.131) 11.038 5.008 ( 0.066 10.389 -4.445) 11.300 6.130 ( 0.038 5.604 -4.403) 7.127 7.397 ( 12.707 3.445 1.500) 13.251 7.618 ( 1.726 5.637 -1.194) 6.015 8.342 ( -9.437 3.990 -3.142) 10.717 8.837 ( 4.585 1.545 -4.615) 6.686 11.075 ( -2.343 -27.538 9.588) 29.254 14.096 ( -5.711 2.173 -8.362) 10.357 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 5.072 -5.928 4.426) 8.970 3.015 ( 18.321 8.723 3.186) 20.540 4.065 ( 5.417 14.270 -2.744) 15.508 4.475 ( 7.193 6.106 0.859) 9.474 5.054 ( -1.609 5.120 -4.163) 6.792 6.172 ( 0.407 4.895 -3.483) 6.022 7.603 ( -0.657 8.376 -5.621) 10.109 7.840 ( 23.026 2.757 1.746) 23.257 8.207 ( -7.762 5.130 -2.138) 9.547 8.932 ( 2.869 5.311 -1.536) 6.228 10.772 ( -5.438 -26.605 7.043) 28.053 13.956 ( -9.203 0.999 -4.596) 10.335 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 5.090 -4.313 2.085) 6.990 3.386 ( 15.378 5.005 2.586) 16.377 4.280 ( 2.933 13.976 -1.721) 14.384 4.712 ( 14.467 4.560 0.850) 15.192 5.031 ( -3.390 2.196 -2.982) 5.020 6.206 ( -0.406 3.416 -1.786) 3.876 7.559 ( -7.693 4.679 -5.871) 10.750 8.219 ( 1.310 11.093 2.797) 11.515 8.350 ( 28.888 4.452 -4.218) 29.532 9.010 ( -0.751 6.699 0.574) 6.766 10.416 ( -9.020 -24.542 4.462) 26.525 13.780 ( -9.513 -0.935 -1.734) 9.714 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 4.137 -2.130 -0.016) 4.654 3.662 ( 10.964 4.069 1.122) 11.749 4.407 ( -0.159 7.372 0.649) 7.402 4.966 ( -2.542 -0.830 -3.744) 4.601 5.054 ( 15.116 8.948 1.651) 17.643 6.197 ( -2.985 0.599 -0.289) 3.058 7.453 ( -5.332 2.391 -2.822) 6.489 8.438 ( 8.330 14.167 0.493) 16.442 8.850 ( 23.946 4.501 -4.561) 24.789 9.039 ( -4.777 7.859 2.500) 9.531 10.018 ( -11.970 -21.612 2.508) 24.832 13.614 ( -6.702 -2.884 -0.337) 7.304 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 3.174 0.980 -0.987) 3.466 3.856 ( 6.488 4.764 -0.891) 8.099 4.431 ( -1.945 0.388 1.791) 2.673 4.886 ( -4.452 -1.136 -0.506) 4.623 5.398 ( 12.212 10.807 -1.251) 16.355 6.104 ( -5.525 -4.577 0.757) 7.214 7.428 ( 0.943 1.366 -0.488) 1.730 8.765 ( 12.020 14.930 -0.321) 19.170 8.983 ( -5.911 1.386 0.829) 6.128 9.214 ( 9.907 8.062 -2.344) 12.986 9.615 ( -12.048 -18.211 1.697) 21.901 13.511 ( -1.310 -2.883 -0.072) 3.167 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 2.735 5.433 -0.291) 6.089 3.967 ( 1.175 5.754 -3.819) 7.006 4.366 ( -3.599 -5.385 2.487) 6.938 4.781 ( -6.082 -2.920 1.594) 6.932 5.641 ( 1.940 13.604 -5.308) 14.731 5.958 ( -1.436 -10.934 3.923) 11.705 7.490 ( 5.020 0.036 -0.921) 5.104 8.800 ( -12.523 -3.519 -1.831) 13.136 9.079 ( -3.155 12.565 -3.631) 13.454 9.313 ( 7.581 -13.943 6.607) 17.191 9.391 ( 0.468 6.334 -1.108) 6.447 13.526 ( 4.741 0.260 -0.316) 4.759 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 2.702 10.810 1.633) 11.262 3.968 ( -5.478 5.454 -7.222) 10.579 4.222 ( -5.937 -9.218 2.143) 11.172 4.621 ( -8.986 -5.741 4.559) 11.597 5.654 ( -5.804 6.077 -8.928) 12.261 5.933 ( 3.351 -4.808 6.011) 8.395 7.571 ( 5.165 -1.021 -2.733) 5.932 8.467 ( -15.620 -9.936 -3.909) 18.920 8.895 ( -11.054 -4.855 -2.409) 12.311 9.300 ( -8.362 5.413 -0.754) 9.990 9.709 ( 22.742 2.619 7.349) 24.043 13.664 ( 8.240 4.501 -1.044) 9.447 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 -6.328 10.009) 11.841 2.613 ( 0.000 12.664 2.668) 12.942 3.922 ( -0.000 7.423 -1.700) 7.616 4.385 ( -0.000 9.241 -1.199) 9.318 5.083 ( -0.000 7.229 -3.306) 7.949 6.157 ( -0.000 4.438 -5.357) 6.957 7.289 ( 0.000 -0.201 0.921) 0.943 7.682 ( -0.000 9.797 -3.298) 10.338 8.506 ( -0.000 7.288 -0.516) 7.306 8.761 ( -0.000 -0.053 -2.779) 2.780 10.862 ( 0.000 -25.883 7.278) 26.887 14.142 ( -0.000 2.070 -5.775) 6.135 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 2.270 -4.802 11.558) 12.720 2.844 ( 12.065 8.580 3.060) 15.118 4.042 ( 6.759 7.412 -2.633) 10.370 4.470 ( 1.295 6.086 -0.114) 6.224 5.119 ( -1.362 4.475 -2.198) 5.168 6.186 ( 0.749 3.906 -4.333) 5.882 7.434 ( 17.028 0.135 -1.036) 17.060 7.760 ( -2.022 11.558 -5.858) 13.115 8.433 ( -11.256 4.934 1.321) 12.360 8.869 ( 8.265 2.174 0.293) 8.551 10.618 ( -2.893 -23.056 4.623) 23.692 14.091 ( -5.984 1.660 -2.995) 6.895 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 3.171 -2.812 10.085) 10.939 3.171 ( 15.944 4.448 3.762) 16.975 4.274 ( 11.150 8.993 -4.096) 14.899 4.554 ( 4.629 1.306 0.953) 4.904 5.112 ( -2.929 3.066 -0.396) 4.259 6.223 ( 0.749 3.260 -2.620) 4.248 7.758 ( -8.570 10.283 -7.181) 15.191 7.843 ( 29.321 1.019 -3.061) 29.498 8.346 ( -4.351 6.357 3.437) 8.435 9.019 ( 5.617 2.002 2.628) 6.516 10.340 ( -6.500 -19.240 1.909) 20.397 13.955 ( -10.298 0.955 -0.789) 10.372 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 3.251 -0.812 6.705) 7.495 3.483 ( 14.467 2.225 4.101) 15.201 4.467 ( 1.404 6.370 -2.398) 6.950 4.723 ( 16.246 -2.208 -3.589) 16.784 5.099 ( -1.967 4.100 4.007) 6.061 6.241 ( -1.274 1.749 -1.548) 2.660 7.631 ( -11.198 5.807 -3.882) 13.198 8.371 ( 27.134 -0.805 -0.123) 27.147 8.455 ( 8.728 11.922 -2.210) 14.940 9.118 ( 2.617 0.981 5.052) 5.774 10.030 ( -10.489 -14.447 -0.584) 17.863 13.767 ( -11.600 0.274 0.358) 11.608 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 3.544 1.752 3.196) 5.084 3.738 ( 11.305 1.705 3.862) 12.067 4.472 ( -2.421 -0.438 -0.824) 2.594 4.865 ( 4.202 -4.238 -6.639) 8.927 5.258 ( 11.961 6.599 7.205) 15.445 6.179 ( -5.904 -1.281 -2.099) 6.396 7.510 ( -7.045 4.257 -0.082) 8.232 8.633 ( 13.015 -0.727 3.647) 13.535 8.866 ( 16.621 6.397 -7.079) 19.165 9.194 ( 4.484 1.400 6.737) 8.213 9.697 ( -14.201 -8.107 -2.911) 16.609 13.592 ( -8.694 0.841 0.569) 8.753 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 4.597 5.564 0.913) 7.275 3.929 ( 7.189 1.850 2.842) 7.948 4.384 ( -4.011 -5.235 -0.745) 6.636 4.807 ( -2.061 -5.428 -2.957) 6.516 5.579 ( 13.948 4.696 5.650) 15.765 6.001 ( -9.999 -3.711 -3.659) 11.276 7.477 ( -1.800 3.327 1.225) 3.976 8.782 ( 5.219 -13.222 1.175) 14.263 9.039 ( 7.652 0.221 3.357) 8.359 9.354 ( 1.240 -4.953 1.044) 5.211 9.407 ( -8.882 12.244 -5.585) 16.125 13.522 ( -1.811 3.976 0.366) 4.384 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 5.923 10.259 -0.000) 11.847 4.029 ( 1.059 1.834 -0.000) 2.117 4.231 ( -5.256 -9.103 0.000) 10.511 4.674 ( -4.789 -8.294 -0.000) 9.577 5.761 ( -5.202 -9.011 -0.000) 10.405 5.851 ( 5.049 8.744 0.000) 10.097 7.508 ( 1.418 2.456 -0.000) 2.836 8.539 ( -11.556 -20.015 -0.000) 23.112 9.019 ( -5.723 -9.912 -0.000) 11.446 9.417 ( 8.132 14.084 -0.000) 16.263 9.476 ( 0.859 1.487 -0.000) 1.718 13.615 ( 4.842 8.386 -0.000) 9.684 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 -3.147 17.704) 17.981 2.822 ( 0.000 6.280 2.835) 6.890 4.021 ( -0.000 4.099 -2.948) 5.049 4.517 ( -0.000 4.664 -0.004) 4.664 5.165 ( -0.000 3.384 -0.861) 3.491 6.203 ( -0.000 3.907 -3.032) 4.945 7.262 ( -0.000 -1.585 -2.227) 2.733 7.892 ( -0.000 15.436 -7.658) 17.231 8.650 ( 0.000 5.739 2.543) 6.278 8.732 ( 0.000 -4.369 2.976) 5.286 10.452 ( 0.000 -17.824 1.755) 17.910 14.154 ( -0.000 1.792 -1.024) 2.064 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.573 -1.480 18.676) 18.743 2.981 ( 11.131 2.795 3.676) 12.051 4.119 ( 9.045 2.702 -3.977) 10.244 4.552 ( -0.077 2.076 0.466) 2.129 5.180 ( -1.528 2.734 0.650) 3.199 6.239 ( 0.470 3.716 -1.339) 3.978 7.400 ( 18.458 -1.374 -3.721) 18.879 7.984 ( -4.940 16.357 -8.938) 19.283 8.507 ( -9.063 -1.518 5.582) 10.752 8.890 ( 10.217 -1.947 4.212) 11.221 10.277 ( -3.657 -11.734 -1.022) 12.333 14.116 ( -6.359 1.745 0.592) 6.620 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.769 -0.448 14.414) 14.441 3.251 ( 15.638 0.215 5.337) 16.525 4.341 ( 15.847 1.233 -5.956) 16.974 4.553 ( -0.452 -1.639 0.651) 1.820 5.182 ( -1.918 2.991 3.187) 4.773 6.271 ( -0.366 2.481 -0.671) 2.596 7.748 ( 17.101 -1.618 -6.660) 18.423 7.991 ( -0.153 11.239 -2.652) 11.549 8.451 ( 1.780 -0.103 4.591) 4.926 9.034 ( 7.264 -2.865 5.375) 9.479 10.087 ( -7.836 -4.905 -3.467) 9.873 13.983 ( -11.156 1.778 1.403) 11.384 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 2.057 0.809 8.065) 8.363 3.537 ( 14.946 -0.857 6.700) 16.401 4.496 ( -2.471 -2.423 -1.328) 3.707 4.597 ( 15.885 -5.410 -7.087) 18.216 5.229 ( 2.245 4.246 7.345) 8.776 6.247 ( -3.689 -0.391 -1.916) 4.175 7.713 ( -9.685 4.065 -1.673) 10.636 8.312 ( 20.063 -5.288 1.125) 20.779 8.611 ( 15.543 3.091 0.481) 15.855 9.123 ( 4.307 -3.410 5.965) 8.109 9.891 ( -11.765 3.387 -5.680) 13.496 13.801 ( -12.353 2.624 1.469) 12.714 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 4.805 3.573 2.343) 6.430 3.786 ( 11.992 -1.248 7.318) 14.104 4.387 ( -3.753 -7.063 -1.333) 8.108 4.695 ( 5.999 -7.808 -7.436) 12.339 5.419 ( 10.582 3.554 9.425) 14.610 6.115 ( -7.963 -3.023 -4.388) 9.582 7.608 ( -7.011 4.339 2.074) 8.502 8.486 ( 12.181 -13.268 3.769) 18.402 8.910 ( 10.899 -2.492 -0.498) 11.191 9.182 ( 7.290 -5.571 5.476) 10.684 9.735 ( -12.679 15.001 -8.187) 21.280 13.660 ( -8.158 5.339 1.258) 9.831 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 0.000 -0.594 23.752) 23.760 2.905 ( 0.000 -0.193 3.483) 3.488 4.035 ( -0.000 0.009 -4.291) 4.291 4.570 ( 0.000 0.503 0.268) 0.570 5.223 ( 0.000 2.412 1.840) 3.034 6.270 ( -0.000 3.505 0.201) 3.511 7.205 ( -0.000 -1.381 -4.636) 4.837 8.168 ( -0.000 18.477 -9.553) 20.800 8.598 ( 0.000 -13.029 7.639) 15.104 8.748 ( 0.000 1.015 4.786) 4.893 10.221 ( -0.000 -4.352 -3.293) 5.458 14.197 ( 0.000 2.181 1.755) 2.799 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -1.772 -0.793 21.485) 21.572 3.012 ( 11.942 -2.959 5.118) 13.325 4.087 ( 9.174 -2.271 -5.183) 10.779 4.557 ( -0.936 -1.849 -0.235) 2.086 5.246 ( -0.993 2.348 3.548) 4.369 6.298 ( -0.301 1.835 0.328) 1.888 7.335 ( 17.860 -1.457 -5.484) 18.740 8.253 ( -8.416 16.274 -7.084) 19.644 8.414 ( -2.733 -13.278 9.239) 16.406 8.881 ( 9.450 -1.752 4.525) 10.623 10.163 ( -4.004 2.717 -4.865) 6.862 14.170 ( -6.666 2.641 2.277) 7.523 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -1.443 -1.298 13.813) 13.949 3.262 ( 17.257 -4.217 7.866) 19.428 4.238 ( 14.588 -6.508 -5.779) 16.987 4.499 ( -1.954 -3.764 -1.879) 4.639 5.276 ( -0.019 2.717 6.160) 6.732 6.281 ( -2.127 -1.649 -1.522) 3.092 7.647 ( 18.960 -3.380 -7.074) 20.517 8.157 ( -6.434 1.554 6.462) 9.250 8.412 ( 7.249 -3.691 3.305) 8.781 9.028 ( 6.646 -0.950 3.432) 7.540 10.103 ( -7.730 9.986 -6.175) 14.057 14.049 ( -11.391 3.582 2.226) 12.146 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 2.394 -0.021 5.176) 5.703 3.546 ( 16.490 -4.596 9.666) 19.659 4.323 ( 4.073 -13.207 0.074) 13.820 4.447 ( 5.630 -4.496 -9.522) 11.941 5.368 ( 4.437 3.229 9.129) 10.651 6.170 ( -5.296 -5.549 -4.342) 8.815 7.732 ( -1.164 -1.645 -2.978) 3.596 8.191 ( 8.578 -9.713 7.314) 14.880 8.623 ( 16.996 -0.373 3.507) 17.358 9.088 ( 1.443 -4.287 3.242) 5.565 10.060 ( -9.825 17.708 -7.984) 21.768 13.897 ( -11.621 5.719 2.117) 13.124 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 -1.857 24.338) 24.409 2.868 ( 0.000 -6.741 4.815) 8.284 3.959 ( -0.000 -3.821 -5.505) 6.701 4.536 ( -0.000 -3.834 -0.896) 3.937 5.288 ( 0.000 1.369 4.681) 4.877 6.311 ( 0.000 -0.516 0.003) 0.516 7.145 ( -0.000 -0.643 -5.666) 5.702 8.297 ( 0.000 -14.514 7.993) 16.569 8.527 ( -0.000 15.284 -5.082) 16.107 8.755 ( 0.000 -4.168 5.585) 6.969 10.238 ( -0.000 9.194 -5.337) 10.630 14.268 ( 0.000 3.451 2.566) 4.300 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -4.360 -3.808 19.280) 20.130 2.942 ( 14.538 -8.900 7.418) 18.589 3.959 ( 7.673 -6.174 -5.957) 11.510 4.471 ( -1.225 -5.998 -2.111) 6.475 5.314 ( 0.153 0.005 6.322) 6.323 6.275 ( -1.336 -4.256 -2.225) 4.985 7.262 ( 15.705 -1.600 -5.986) 16.883 8.172 ( 0.300 -17.194 10.768) 20.290 8.493 ( -10.295 9.284 0.181) 13.864 8.900 ( 9.867 2.244 1.669) 10.256 10.304 ( -3.823 15.071 -5.624) 16.535 14.258 ( -6.695 4.531 2.358) 8.421 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -2.454 -4.558 9.733) 11.023 3.198 ( 20.316 -9.392 10.507) 24.725 4.023 ( 10.620 -10.581 -4.936) 15.783 4.364 ( -1.735 -7.543 -4.637) 9.022 5.356 ( 2.857 -1.503 8.329) 8.932 6.159 ( -3.555 -7.763 -4.995) 9.892 7.503 ( 16.047 -6.011 -6.858) 18.457 8.072 ( 1.378 -12.794 10.409) 16.551 8.490 ( 2.145 5.280 5.336) 7.807 9.044 ( 3.019 1.278 1.661) 3.675 10.363 ( -6.936 20.127 -6.500) 22.259 14.163 ( -10.818 6.335 2.280) 12.742 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.000 -6.111 21.321) 22.179 2.712 ( 0.000 -13.406 6.857) 15.058 3.810 ( -0.000 -6.398 -6.390) 9.042 4.402 ( -0.000 -8.251 -2.953) 8.764 5.314 ( 0.000 -4.895 6.929) 8.483 6.221 ( -0.000 -6.733 -3.930) 7.796 7.093 ( -0.000 -0.516 -5.242) 5.267 8.036 ( 0.000 -16.173 10.404) 19.231 8.679 ( 0.000 -7.089 4.888) 8.611 8.843 ( -0.000 17.281 -1.440) 17.341 10.488 ( -0.000 19.286 -4.812) 19.877 14.375 ( 0.000 5.679 1.886) 5.984 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -6.798 -8.701 14.945) 18.582 2.772 ( 18.296 -14.943 9.957) 25.636 3.768 ( 5.603 -8.103 -6.157) 11.618 4.285 ( -1.205 -10.300 -4.458) 11.288 5.278 ( 2.524 -11.506 7.300) 13.858 6.113 ( -2.236 -7.166 -5.416) 9.257 7.176 ( 11.731 -3.030 -5.181) 13.177 7.944 ( 1.765 -12.728 9.962) 16.259 8.574 ( -4.120 -2.353 4.587) 6.599 9.047 ( 3.275 10.971 1.419) 11.537 10.646 ( -3.777 22.346 -4.463) 23.098 14.388 ( -6.238 7.276 1.518) 9.703 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 0.000 -11.287 17.348) 20.697 2.445 ( 0.000 -19.499 9.269) 21.590 3.621 ( -0.000 -7.378 -6.744) 9.996 4.163 ( -0.000 -12.703 -5.566) 13.869 5.104 ( 0.000 -23.057 5.824) 23.781 6.054 ( -0.000 -4.869 -4.908) 6.913 7.035 ( -0.000 -2.239 -3.672) 4.301 7.858 ( 0.000 -8.691 9.570) 12.928 8.574 ( 0.000 -5.794 3.063) 6.553 9.161 ( 0.000 13.592 2.607) 13.840 10.895 ( -0.000 23.848 -2.807) 24.013 14.524 ( -0.000 8.496 0.492) 8.511 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.000 -0.000 19.159) 19.159 0.714 ( 0.000 -0.000 19.159) 19.159 1.279 ( 0.000 -0.000 35.139) 35.139 3.025 ( -0.000 0.000 -2.798) 2.798 3.025 ( -0.000 0.000 -2.798) 2.798 6.665 ( 0.000 -0.000 2.838) 2.838 6.665 ( 0.000 -0.000 2.838) 2.838 7.234 ( -0.000 0.000 -11.685) 11.685 8.656 ( -0.000 0.000 -2.300) 2.300 8.656 ( -0.000 0.000 -2.300) 2.300 12.595 ( 0.000 -0.000 5.718) 5.718 13.368 ( -0.000 0.000 -3.000) 3.000 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 23.792 13.736 13.219) 30.487 1.151 ( 19.121 11.040 14.391) 26.355 1.569 ( 16.651 9.613 26.763) 32.954 2.982 ( -0.342 -0.197 -3.640) 3.661 3.166 ( 10.019 5.784 -3.347) 12.043 6.134 ( -16.730 -9.659 7.748) 20.814 6.705 ( 2.360 1.363 3.088) 4.118 8.064 ( 31.584 18.235 -21.200) 42.184 8.597 ( 1.189 0.687 -6.152) 6.304 8.609 ( -2.664 -1.538 -2.575) 4.012 12.562 ( -5.087 -2.937 7.030) 9.161 13.757 ( 24.942 14.400 -23.158) 36.956 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 13.471 7.778 13.963) 20.903 1.659 ( 21.011 12.131 9.128) 25.922 2.270 ( 33.817 19.524 11.130) 40.604 2.983 ( 1.588 0.917 -3.244) 3.726 3.457 ( 16.998 9.814 -2.814) 19.828 5.929 ( -5.603 -3.235 2.296) 6.865 6.795 ( 4.362 2.519 3.367) 6.059 8.187 ( -5.068 -2.926 -2.767) 6.473 8.523 ( -3.673 -2.121 -2.789) 5.076 8.865 ( 16.890 9.752 -17.729) 26.357 12.433 ( -8.585 -4.957 10.661) 14.558 14.042 ( 8.470 4.890 -29.756) 31.322 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 12.590 7.269 7.270) 16.254 2.162 ( 20.488 11.829 3.331) 23.891 3.012 ( 26.406 15.245 5.605) 31.002 3.031 ( 3.321 1.917 -0.872) 3.933 3.950 ( 26.939 15.553 -2.034) 31.172 5.830 ( -3.723 -2.150 -1.542) 4.567 6.921 ( 5.142 2.968 3.722) 7.007 8.084 ( -2.188 -1.263 -0.507) 2.577 8.439 ( -2.180 -1.259 -3.021) 3.932 9.027 ( 2.172 1.254 -15.712) 15.911 12.257 ( -11.463 -6.618 15.351) 20.270 13.990 ( -1.414 -0.816 -26.987) 27.036 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 11.635 6.718 -1.064) 13.477 2.597 ( 17.059 9.849 -4.389) 20.181 3.135 ( 5.400 3.118 4.780) 7.857 3.524 ( 17.883 10.325 4.598) 21.156 4.602 ( 28.685 16.561 -3.895) 33.351 5.741 ( -3.199 -1.847 -2.282) 4.342 7.037 ( 3.258 1.881 4.245) 5.672 8.097 ( 3.345 1.931 -0.565) 3.904 8.425 ( 2.446 1.412 -3.437) 4.448 8.860 ( -10.665 -6.158 -14.868) 19.306 11.983 ( -18.601 -10.740 15.105) 26.258 13.877 ( 0.864 0.499 -19.068) 19.094 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 9.130 5.271 -9.309) 14.064 2.884 ( 10.621 6.132 -11.006) 16.479 3.323 ( 8.227 4.750 10.656) 14.275 3.900 ( 13.616 7.861 5.718) 16.730 5.136 ( 18.456 10.656 -10.274) 23.659 5.701 ( 1.190 0.687 2.035) 2.456 7.090 ( -0.121 -0.070 4.751) 4.753 8.177 ( 0.969 0.560 -8.815) 8.886 8.529 ( 7.549 4.358 -3.989) 9.586 8.534 ( -9.051 -5.225 -4.709) 11.463 11.512 ( -25.834 -14.916 9.314) 31.251 13.912 ( 6.282 3.627 -8.896) 11.478 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 5.676 3.277 -16.663) 17.906 3.026 ( 6.019 3.475 -10.483) 12.577 3.553 ( 7.573 4.372 10.449) 13.626 4.193 ( 9.843 5.683 6.747) 13.218 5.332 ( 4.489 2.592 -12.892) 13.895 5.853 ( 9.394 5.424 4.543) 11.761 7.080 ( -2.038 -1.177 4.943) 5.475 7.938 ( -11.752 -6.785 -12.155) 18.218 8.600 ( 9.245 5.338 3.470) 11.225 8.711 ( 8.930 5.156 -4.468) 11.238 10.925 ( -26.693 -15.411 4.996) 31.224 14.053 ( 7.082 4.089 -3.245) 8.797 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 1.968 1.136 -22.100) 22.217 3.094 ( 3.075 1.775 -8.445) 9.161 3.726 ( 4.076 2.353 9.138) 10.279 4.394 ( 5.305 3.063 6.680) 9.064 5.354 ( 2.247 1.297 -9.439) 9.790 6.077 ( 8.176 4.720 3.008) 9.909 7.048 ( -2.144 -1.238 4.850) 5.446 7.738 ( -1.772 -1.023 -2.143) 2.963 8.817 ( 7.410 4.278 -0.728) 8.588 8.871 ( 6.076 3.508 -4.795) 8.498 10.384 ( -20.639 -11.916 3.690) 24.115 14.182 ( 4.715 2.722 -1.644) 5.688 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -1.480 -0.855 -24.730) 24.789 3.099 ( -0.265 -0.153 -7.497) 7.503 3.805 ( 0.038 0.022 8.564) 8.564 4.482 ( 0.426 0.246 5.958) 5.979 5.381 ( 2.938 1.697 -7.266) 8.019 6.229 ( 3.690 2.131 3.255) 5.362 7.025 ( -1.316 -0.760 4.660) 4.902 7.868 ( 11.978 6.915 6.917) 15.464 8.847 ( -5.013 -2.895 -6.479) 8.689 8.935 ( 0.909 0.525 -4.899) 5.010 10.088 ( -5.063 -2.923 3.601) 6.866 14.255 ( 2.358 1.362 -1.168) 2.963 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -4.604 -2.658 -24.567) 25.135 3.013 ( -4.978 -2.874 -7.837) 9.719 3.798 ( -3.293 -1.901 8.423) 9.241 4.463 ( -3.830 -2.211 5.525) 7.077 5.423 ( 2.524 1.457 -6.937) 7.525 6.257 ( -2.661 -1.537 4.860) 5.750 7.024 ( -0.293 -0.169 4.488) 4.501 8.273 ( 17.422 10.058 8.564) 21.864 8.579 ( -12.219 -7.055 -7.812) 16.128 8.877 ( -4.152 -2.397 -4.687) 6.705 10.161 ( 9.126 5.269 0.938) 10.580 14.300 ( 2.319 1.339 -0.113) 2.680 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -7.480 -4.319 -22.131) 23.757 2.801 ( -11.021 -6.363 -8.748) 15.443 3.728 ( -5.328 -3.076 7.969) 10.067 4.354 ( -7.492 -4.326 5.485) 10.244 5.397 ( -4.046 -2.336 -7.691) 8.999 6.161 ( -6.700 -3.868 6.760) 10.274 7.039 ( -0.093 -0.054 4.238) 4.239 8.152 ( -13.912 -8.032 -10.049) 18.948 8.730 ( -6.688 -3.861 -4.076) 8.732 8.805 ( 18.318 10.576 5.411) 21.833 10.460 ( 16.397 9.467 -0.007) 18.934 14.380 ( 4.779 2.759 0.916) 5.594 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.000 4.133 15.946) 16.473 1.298 ( 0.000 13.544 23.833) 27.413 1.781 ( 0.000 33.554 17.970) 38.063 3.049 ( -0.000 7.322 -4.851) 8.783 3.086 ( -0.000 5.476 -2.228) 5.912 6.164 ( 0.000 -19.604 7.082) 20.844 6.708 ( 0.000 2.389 3.175) 3.973 7.956 ( -0.000 32.963 -18.825) 37.960 8.570 ( -0.000 1.351 -6.638) 6.774 8.622 ( -0.000 -2.063 -2.524) 3.260 12.584 ( 0.000 -6.346 7.297) 9.671 13.689 ( -0.000 27.113 -20.097) 33.749 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 30.424 7.451 8.149) 32.365 1.533 ( 7.262 3.889 24.168) 25.533 2.284 ( 7.941 40.524 7.368) 41.947 3.051 ( -3.009 9.885 -1.961) 10.517 3.291 ( 12.086 9.540 -3.482) 15.787 5.990 ( -4.992 -6.897 3.721) 9.292 6.779 ( 2.890 3.970 3.448) 6.000 8.113 ( 2.928 -7.015 -5.191) 9.205 8.558 ( -2.776 -2.317 -3.109) 4.769 8.708 ( 8.956 18.802 -16.062) 26.301 12.503 ( -3.615 -9.227 9.723) 13.883 13.909 ( 5.591 16.062 -26.818) 31.756 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 13.522 4.032 6.966) 15.736 1.920 ( 24.511 9.005 12.626) 29.005 2.780 ( 10.095 18.849 -2.827) 21.568 3.188 ( 1.461 22.615 4.775) 23.160 3.683 ( 21.494 15.928 -2.979) 26.918 5.879 ( -4.361 -2.019 0.083) 4.806 6.906 ( 4.095 6.205 3.882) 8.387 8.018 ( 1.029 -10.787 -1.508) 10.940 8.475 ( -2.813 -1.170 -3.596) 4.713 8.934 ( 5.370 7.780 -14.974) 17.709 12.366 ( -5.615 -11.456 14.036) 18.968 13.939 ( -1.876 5.952 -27.310) 28.013 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 12.322 0.437 1.309) 12.399 2.459 ( 17.827 16.935 3.292) 24.808 3.008 ( 8.892 3.495 -2.745) 9.941 3.524 ( 6.023 22.807 6.208) 24.392 4.290 ( 26.787 20.279 -3.562) 33.785 5.790 ( -4.368 -0.298 -1.233) 4.548 7.056 ( 2.781 7.916 4.499) 9.521 7.970 ( 5.263 -8.221 -1.398) 9.861 8.432 ( -0.174 1.939 -4.675) 5.064 8.899 ( -5.754 -2.545 -13.275) 14.691 12.163 ( -10.629 -15.275 15.824) 24.428 13.830 ( -2.743 3.381 -21.988) 22.415 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 11.792 -2.370 -6.938) 13.885 2.851 ( 6.265 20.435 -6.570) 22.361 3.217 ( 12.546 2.260 5.959) 14.072 3.861 ( 7.566 16.819 6.164) 19.445 4.874 ( 21.574 14.191 -8.005) 27.036 5.733 ( -2.298 2.185 1.215) 3.396 7.169 ( -1.404 8.208 5.119) 9.775 8.012 ( 8.418 -7.051 -4.526) 11.877 8.471 ( 2.522 2.779 -9.326) 10.052 8.660 ( -9.990 -1.516 -5.102) 11.320 11.780 ( -20.013 -19.092 10.827) 29.702 13.810 ( 4.156 3.453 -11.620) 12.815 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 9.959 -5.149 -14.122) 18.031 3.051 ( 0.292 17.521 -10.281) 20.317 3.502 ( 10.675 6.397 9.484) 15.647 4.155 ( 6.998 11.931 6.477) 15.273 5.195 ( 9.713 4.423 -12.369) 16.337 5.805 ( 4.637 6.372 4.889) 9.274 7.212 ( -5.277 8.784 5.372) 11.570 7.959 ( -4.070 -9.342 -12.102) 15.821 8.437 ( 5.494 -1.828 -3.003) 6.523 8.716 ( 4.783 12.011 -0.570) 12.941 11.220 ( -25.065 -19.448 5.517) 32.201 13.925 ( 8.546 1.513 -4.090) 9.595 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 7.393 -7.389 -19.500) 22.124 3.157 ( -2.205 15.151 -9.645) 18.095 3.747 ( 4.832 8.254 9.051) 13.168 4.375 ( 4.709 6.995 6.053) 10.379 5.276 ( 3.859 0.939 -10.064) 10.820 6.002 ( 7.589 5.945 3.679) 10.319 7.222 ( -7.539 12.057 5.539) 15.261 7.740 ( -4.391 -5.706 -5.652) 9.154 8.587 ( 11.898 -1.870 -2.726) 12.349 8.925 ( 4.071 13.139 -1.977) 13.896 10.630 ( -23.060 -17.122 3.437) 28.927 14.065 ( 8.348 -1.494 -1.635) 8.637 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 4.562 -8.936 -22.490) 24.626 3.202 ( -5.055 13.384 -8.887) 16.843 3.893 ( -1.103 7.971 8.524) 11.723 4.494 ( 1.444 2.074 5.025) 5.624 5.312 ( 3.440 1.063 -7.354) 8.188 6.179 ( 5.885 3.096 2.735) 7.190 7.227 ( -10.413 15.151 5.117) 19.083 7.743 ( 9.078 0.667 4.115) 9.989 8.712 ( 6.585 -4.605 -5.654) 9.825 9.053 ( -2.687 10.405 -4.522) 11.659 10.179 ( -12.316 -11.532 3.888) 17.315 14.159 ( 6.480 -3.920 -1.417) 7.705 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 1.681 -10.000 -22.702) 24.864 3.173 ( -9.238 11.659 -8.829) 17.299 3.933 ( -5.987 6.355 8.144) 11.939 4.508 ( -1.794 -1.876 4.374) 5.086 5.361 ( 3.485 1.604 -6.466) 7.519 6.269 ( 1.427 -0.610 3.194) 3.551 7.210 ( -10.362 14.370 5.017) 18.412 8.063 ( 19.140 6.035 8.962) 21.979 8.624 ( -6.873 -8.686 -8.700) 14.085 9.003 ( -8.239 6.052 -5.531) 11.623 10.064 ( 4.678 -2.354 3.390) 6.238 14.211 ( 5.724 -4.667 -1.129) 7.471 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -1.267 -10.630 -20.222) 22.881 3.038 ( -15.200 9.881 -9.441) 20.440 3.882 ( -8.941 3.800 7.520) 12.286 4.435 ( -4.893 -4.471 4.340) 7.923 5.392 ( 0.499 0.900 -7.247) 7.320 6.234 ( -4.063 -4.399 4.930) 7.756 7.198 ( -8.962 12.387 5.287) 16.177 8.290 ( -15.045 -7.532 -9.984) 19.565 8.477 ( 17.924 -0.511 3.116) 18.200 8.921 ( -5.400 8.036 -2.007) 9.888 10.260 ( 14.951 3.768 2.110) 15.562 14.274 ( 7.178 -3.533 -0.548) 8.019 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 15.020 10.529) 18.343 1.580 ( 0.000 -1.074 24.873) 24.896 2.694 ( -0.000 46.010 0.962) 46.020 3.206 ( -0.000 8.065 -1.837) 8.272 3.245 ( -0.000 15.629 -1.737) 15.725 5.981 ( 0.000 -5.289 3.008) 6.085 6.809 ( 0.000 5.303 3.515) 6.362 7.987 ( -0.000 -10.710 -3.039) 11.133 8.540 ( -0.000 -3.913 -2.883) 4.860 8.770 ( -0.000 19.163 -15.708) 24.778 12.460 ( 0.000 -12.731 10.648) 16.598 13.940 ( -0.000 16.236 -26.420) 31.010 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 21.993 14.221 4.562) 26.585 1.709 ( 9.296 -2.557 21.893) 23.922 2.996 ( -7.448 26.355 -6.546) 28.158 3.434 ( 1.241 27.253 5.574) 27.845 3.500 ( 17.374 16.828 -3.854) 24.493 5.928 ( -2.838 -1.369 0.779) 3.246 6.919 ( 3.858 7.327 3.900) 9.153 7.871 ( 1.173 -12.342 -1.097) 12.446 8.469 ( -1.728 -3.759 -4.008) 5.760 8.904 ( 2.871 10.084 -13.379) 16.998 12.346 ( -2.040 -15.593 13.384) 20.651 13.960 ( -2.332 10.120 -26.213) 28.195 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 8.923 -1.669 4.061) 9.945 2.220 ( 28.458 11.700 11.897) 32.989 3.064 ( -4.680 17.628 -7.689) 19.793 3.699 ( 3.103 19.984 3.537) 20.530 4.086 ( 21.109 26.666 -2.804) 34.125 5.867 ( -4.107 1.220 -0.463) 4.310 7.106 ( 5.014 10.654 4.688) 12.673 7.793 ( 3.463 -10.056 -0.718) 10.660 8.397 ( 0.176 -3.085 -6.557) 7.249 8.919 ( -2.488 0.821 -10.685) 11.002 12.177 ( -4.609 -19.271 15.479) 25.144 13.871 ( -5.584 6.496 -22.730) 24.291 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 9.607 -4.628 -2.675) 10.994 2.840 ( 23.202 14.355 9.149) 28.777 3.144 ( -1.713 15.443 -7.928) 17.444 3.969 ( 4.387 18.140 4.456) 19.187 4.648 ( 19.115 18.125 -6.578) 27.151 5.822 ( -3.615 4.087 0.972) 5.543 7.306 ( 1.303 13.121 5.509) 14.290 7.788 ( 6.549 -7.812 -2.186) 10.426 8.376 ( 4.038 -2.181 -11.169) 12.075 8.785 ( -7.332 -0.451 -5.389) 9.111 11.888 ( -11.654 -23.009 12.553) 28.685 13.781 ( -2.044 4.840 -14.427) 15.354 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 8.930 -6.583 -9.321) 14.490 3.238 ( -2.802 19.387 -9.180) 21.633 3.363 ( 18.066 10.589 9.415) 22.960 4.230 ( 3.922 15.642 5.027) 16.891 5.012 ( 12.330 6.863 -10.410) 17.536 5.854 ( -0.032 7.407 3.876) 8.360 7.427 ( -4.059 12.258 5.051) 13.865 7.816 ( 5.098 -6.555 -5.614) 10.023 8.367 ( 1.279 -0.075 -11.519) 11.590 8.743 ( 2.199 6.545 0.560) 6.927 11.419 ( -19.536 -23.444 6.911) 31.290 13.798 ( 4.470 1.269 -5.821) 7.448 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 7.200 -7.920 -14.440) 17.974 3.335 ( -2.637 16.700 -9.159) 19.229 3.757 ( 10.053 12.760 9.215) 18.676 4.434 ( 1.620 11.599 4.503) 12.548 5.161 ( 6.459 1.438 -9.997) 11.989 5.981 ( 3.777 7.001 4.189) 8.990 7.477 ( -3.290 9.661 3.559) 10.808 7.761 ( -4.917 0.727 -4.141) 6.469 8.410 ( 6.234 2.744 -5.513) 8.763 8.933 ( 7.879 9.857 -1.173) 12.673 10.848 ( -22.295 -21.233 3.583) 30.996 13.885 ( 7.808 -3.448 -1.783) 8.720 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 4.988 -8.523 -17.463) 20.062 3.403 ( -4.286 15.677 -9.151) 18.651 4.027 ( 2.565 12.743 9.258) 15.958 4.539 ( -1.181 5.783 3.221) 6.724 5.230 ( 4.407 1.424 -7.634) 8.929 6.128 ( 4.925 3.831 3.232) 7.027 7.585 ( 5.957 6.388 4.420) 9.790 7.677 ( -12.207 13.921 2.144) 18.639 8.542 ( 7.720 1.158 -6.030) 9.864 9.134 ( 3.779 9.596 -3.458) 10.877 10.308 ( -17.859 -17.753 3.192) 25.383 13.966 ( 8.149 -7.205 -1.126) 10.935 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 2.560 -8.389 -17.844) 19.883 3.422 ( -7.317 14.720 -9.335) 18.904 4.165 ( -5.009 12.267 9.034) 16.037 4.539 ( -2.736 -0.407 2.413) 3.671 5.292 ( 3.795 2.377 -6.523) 7.912 6.234 ( 3.351 0.108 2.858) 4.405 7.617 ( -10.999 12.773 4.502) 17.447 7.865 ( 11.300 12.535 7.219) 18.355 8.600 ( 0.328 -0.733 -7.636) 7.678 9.174 ( -6.250 5.813 -6.336) 10.630 9.990 ( -2.296 -10.688 4.587) 11.855 14.017 ( 7.963 -8.847 -1.312) 11.975 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -0.059 -7.283 -15.305) 16.950 3.363 ( -11.999 13.748 -9.936) 20.778 4.162 ( -11.842 9.837 7.652) 17.191 4.471 ( -3.180 -4.553 3.090) 6.355 5.351 ( 2.724 2.688 -7.071) 8.040 6.252 ( -0.847 -3.830 3.663) 5.366 7.571 ( -12.580 14.253 6.232) 20.006 8.196 ( 11.906 2.273 -0.197) 12.123 8.464 ( -10.203 1.571 -6.104) 11.993 9.072 ( -6.289 4.441 -4.194) 8.768 10.043 ( 12.350 -2.409 4.244) 13.279 14.070 ( 9.021 -8.128 -1.338) 12.216 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.000 19.371 7.730) 20.856 1.667 ( 0.000 -5.904 17.807) 18.760 3.371 ( -0.000 9.824 -1.779) 9.984 3.418 ( -0.000 27.446 -9.141) 28.928 3.739 ( 0.000 33.836 4.666) 34.157 5.949 ( -0.000 0.386 -0.108) 0.401 6.967 ( 0.000 7.565 3.697) 8.420 7.743 ( 0.000 -10.947 0.376) 10.953 8.436 ( -0.000 -3.934 -3.224) 5.086 8.912 ( -0.000 5.670 -12.623) 13.838 12.241 ( 0.000 -19.030 14.042) 23.650 13.990 ( -0.000 9.804 -24.730) 26.602 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 3.303 -3.266 8.126) 9.360 1.928 ( 22.358 14.146 11.026) 28.663 3.348 ( -8.589 16.778 -4.832) 19.458 3.757 ( 9.408 15.838 -2.692) 18.617 4.147 ( 6.835 33.180 -0.151) 33.877 5.939 ( -2.247 2.509 -1.219) 3.582 7.118 ( 6.341 9.188 3.865) 11.813 7.662 ( 1.356 -8.143 1.405) 8.374 8.360 ( -2.581 -3.438 -4.848) 6.480 8.903 ( 0.281 -0.033 -10.488) 10.492 12.077 ( -1.681 -22.551 14.778) 27.014 13.952 ( -4.418 8.042 -21.601) 23.469 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 5.871 -5.864 2.640) 8.707 2.544 ( 27.014 12.506 9.111) 31.131 3.386 ( -5.655 19.549 -5.917) 21.193 4.046 ( 7.538 14.656 0.918) 16.507 4.571 ( 10.093 22.454 -4.667) 25.057 5.928 ( -2.680 5.248 -0.651) 5.929 7.372 ( 8.199 11.390 3.357) 14.430 7.644 ( 3.251 -3.977 2.070) 5.538 8.259 ( -0.788 -4.308 -8.953) 9.967 8.843 ( -2.422 -0.705 -6.657) 7.119 11.833 ( -5.354 -26.002 13.045) 29.579 13.856 ( -6.054 6.357 -15.507) 17.819 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 6.515 -6.661 -3.122) 9.827 3.106 ( 21.469 7.573 6.798) 23.759 3.506 ( -1.963 23.743 -5.037) 24.351 4.317 ( 6.352 14.253 2.878) 15.868 4.869 ( 8.529 9.819 -7.869) 15.201 5.958 ( -1.355 7.817 1.277) 8.035 7.540 ( 2.018 1.523 -2.936) 3.874 7.743 ( 2.358 8.776 7.060) 11.507 8.235 ( 7.605 -1.009 -12.300) 14.496 8.790 ( -1.969 2.969 -1.983) 4.077 11.465 ( -11.666 -27.097 8.564) 30.720 13.779 ( -2.844 3.040 -7.911) 8.940 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 5.674 -6.815 -7.783) 11.799 3.422 ( 6.596 8.066 -2.294) 10.669 3.785 ( 7.121 21.378 3.629) 22.823 4.551 ( 2.675 13.648 3.317) 14.298 5.019 ( 7.002 1.949 -8.671) 11.315 6.036 ( 0.305 7.315 2.614) 7.774 7.509 ( -0.639 -3.619 -4.563) 5.858 7.889 ( 0.369 12.520 5.527) 13.691 8.378 ( 5.103 9.914 -8.529) 14.038 8.860 ( 6.753 4.843 -0.570) 8.330 10.977 ( -17.173 -25.153 4.474) 30.784 13.757 ( 1.854 -2.171 -2.652) 3.896 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 4.072 -6.231 -10.814) 13.128 3.553 ( 0.202 11.576 -6.302) 13.182 4.111 ( 6.388 14.562 7.658) 17.649 4.677 ( -3.423 10.459 2.408) 11.265 5.122 ( 6.954 1.802 -7.684) 10.519 6.121 ( 1.693 3.976 3.091) 5.313 7.477 ( 3.556 -3.553 -1.214) 5.172 8.058 ( -1.962 19.849 5.088) 20.584 8.490 ( -0.303 10.735 -5.736) 12.175 9.075 ( 10.581 5.778 -2.727) 12.361 10.443 ( -18.524 -21.910 2.625) 28.811 13.767 ( 5.098 -7.104 -0.860) 8.786 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 2.239 -4.802 -11.607) 12.760 3.620 ( -3.307 12.639 -7.697) 15.163 4.335 ( 2.456 9.008 8.687) 12.753 4.666 ( -7.976 6.079 1.774) 10.184 5.230 ( 4.699 4.777 -7.285) 9.898 6.189 ( 2.598 -0.392 3.180) 4.125 7.559 ( 8.957 -3.230 2.128) 9.756 8.232 ( -9.067 28.117 7.140) 30.394 8.562 ( 2.225 6.261 -6.906) 9.583 9.243 ( 2.804 4.919 -5.529) 7.914 9.980 ( -11.309 -17.879 3.504) 21.444 13.783 ( 7.038 -9.805 -0.878) 12.101 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.415 -2.214 -9.711) 9.969 3.625 ( -7.266 12.591 -8.766) 16.975 4.442 ( -0.700 3.048 8.283) 8.854 4.546 ( -12.502 3.959 2.067) 13.276 5.315 ( 2.470 5.843 -7.900) 10.132 6.217 ( 1.552 -4.405 3.467) 5.817 7.688 ( 7.295 -3.267 2.593) 8.403 8.313 ( -11.666 18.686 1.423) 22.075 8.630 ( -3.511 10.997 -3.187) 11.976 9.196 ( -6.948 1.783 -6.557) 9.719 9.826 ( 7.871 -9.474 5.491) 13.485 13.817 ( 8.894 -9.511 -1.226) 13.079 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.000 -8.017 12.410) 14.774 1.921 ( 0.000 19.736 6.441) 20.760 3.559 ( -0.000 10.409 -2.107) 10.620 3.816 ( -0.000 19.840 -4.606) 20.367 4.409 ( -0.000 29.313 -1.495) 29.351 5.980 ( -0.000 3.604 -2.985) 4.679 7.146 ( 0.000 7.138 3.297) 7.863 7.594 ( 0.000 -5.093 3.172) 6.000 8.357 ( -0.000 -0.956 -3.017) 3.165 8.843 ( -0.000 -2.216 -10.426) 10.659 11.907 ( 0.000 -25.471 13.919) 29.026 13.996 ( -0.000 7.969 -18.821) 20.439 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 1.890 -7.344 8.415) 11.328 2.308 ( 18.526 16.063 7.148) 25.541 3.620 ( -3.298 13.911 -3.528) 14.725 4.050 ( 6.602 14.900 -1.877) 16.405 4.680 ( 2.534 21.527 -3.386) 21.938 6.000 ( -0.702 5.182 -3.731) 6.424 7.306 ( 9.109 6.593 2.049) 11.430 7.586 ( 1.864 -1.557 3.837) 4.541 8.284 ( -6.443 -0.001 -4.182) 7.681 8.807 ( 1.995 -1.058 -7.628) 7.956 11.674 ( -2.163 -28.019 12.055) 30.579 13.965 ( -4.732 6.952 -14.223) 16.524 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 3.607 -6.653 4.035) 8.576 2.837 ( 22.372 10.743 6.892) 25.756 3.727 ( -0.740 18.333 -4.527) 18.898 4.307 ( 8.736 11.048 0.436) 14.091 4.872 ( 1.877 12.096 -4.674) 13.103 6.041 ( 0.070 6.612 -2.856) 7.203 7.490 ( 3.128 2.319 -1.988) 4.372 7.748 ( 14.208 7.400 5.520) 16.944 8.139 ( -6.207 -0.280 -6.068) 8.685 8.825 ( 0.907 3.410 -3.818) 5.198 11.363 ( -5.799 -29.191 8.788) 31.032 13.878 ( -6.819 4.748 -8.495) 11.883 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 3.774 -5.650 0.187) 6.797 3.283 ( 16.347 6.378 4.360) 18.081 3.927 ( 2.938 20.606 -2.757) 20.996 4.574 ( 9.942 9.819 1.587) 14.063 4.952 ( 0.428 4.568 -4.981) 6.772 6.104 ( 0.488 6.154 -1.191) 6.287 7.488 ( -2.191 0.045 -4.242) 4.774 8.029 ( -2.365 9.559 5.204) 11.138 8.215 ( 21.174 7.174 -5.998) 23.147 8.867 ( -0.679 6.300 -1.234) 6.456 10.965 ( -10.378 -28.102 5.191) 30.404 13.774 ( -5.604 0.892 -3.572) 6.705 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 2.916 -4.120 -2.928) 5.835 3.558 ( 8.085 6.602 -0.062) 10.438 4.182 ( 4.718 15.633 1.612) 16.409 4.830 ( 3.169 12.486 3.069) 13.242 4.977 ( 5.347 -0.393 -6.252) 8.236 6.158 ( -0.054 3.612 0.567) 3.657 7.423 ( -1.717 -1.018 -2.939) 3.552 8.165 ( 5.003 12.474 1.426) 13.516 8.626 ( 10.259 16.329 -2.030) 19.391 8.929 ( 4.228 3.480 -1.036) 5.573 10.502 ( -14.072 -25.217 2.626) 28.997 13.682 ( -2.441 -3.737 -0.961) 4.566 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 1.827 -1.892 -4.706) 5.391 3.714 ( 2.437 8.655 -3.282) 9.572 4.375 ( 3.209 6.697 3.934) 8.404 4.867 ( -5.977 4.786 2.814) 8.158 5.160 ( 8.966 9.181 -5.933) 14.138 6.172 ( -0.347 -1.022 1.953) 2.232 7.422 ( 3.772 -1.265 -0.217) 3.984 8.439 ( 9.093 16.282 0.605) 18.659 8.775 ( -10.260 17.826 1.356) 20.612 9.121 ( 13.050 1.946 -4.251) 13.862 10.026 ( -14.451 -21.616 1.691) 26.056 13.615 ( 1.441 -7.067 -0.371) 7.222 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 1.040 1.383 -4.508) 4.829 3.792 ( -2.240 9.871 -5.528) 11.533 4.448 ( 0.525 -1.376 3.559) 3.852 4.800 ( -7.633 2.807 4.632) 9.359 5.341 ( 1.907 12.615 -7.446) 14.772 6.149 ( 1.104 -6.244 3.261) 7.131 7.509 ( 7.724 -2.471 0.085) 8.109 8.682 ( -8.656 10.012 -4.707) 14.047 8.790 ( 0.105 19.953 6.151) 20.880 9.267 ( 0.970 3.527 -6.174) 7.176 9.658 ( -3.174 -17.347 3.964) 18.075 13.599 ( 5.485 -7.229 -0.620) 9.096 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 -7.966 12.262) 14.622 2.332 ( 0.000 16.807 5.578) 17.708 3.742 ( -0.000 9.701 -2.805) 10.098 4.138 ( -0.000 15.066 -2.260) 15.235 4.842 ( -0.000 16.563 -3.057) 16.842 6.035 ( -0.000 5.123 -5.880) 7.798 7.269 ( 0.000 3.014 1.385) 3.318 7.582 ( 0.000 0.745 3.704) 3.779 8.376 ( -0.000 4.710 -1.191) 4.858 8.736 ( -0.000 -0.466 -7.259) 7.274 11.451 ( 0.000 -29.230 10.039) 30.906 14.028 ( -0.000 6.558 -11.115) 12.905 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.823 -6.506 11.847) 13.541 2.646 ( 14.915 12.715 5.831) 20.448 3.843 ( 2.127 11.273 -3.836) 12.096 4.300 ( 3.893 11.059 -0.857) 11.755 4.966 ( -0.317 10.680 -2.656) 11.010 6.071 ( 0.874 5.435 -5.801) 7.997 7.399 ( 11.039 2.793 -1.031) 11.434 7.624 ( 2.384 2.120 1.960) 3.744 8.321 ( -10.254 5.421 -0.525) 11.611 8.790 ( 5.528 3.858 -3.695) 7.687 11.172 ( -2.537 -29.382 7.316) 30.385 14.008 ( -5.116 5.288 -7.058) 10.196 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 1.428 -4.598 9.361) 10.527 3.067 ( 18.146 7.620 5.784) 20.513 4.022 ( 5.497 14.576 -4.862) 16.319 4.483 ( 7.820 6.295 0.499) 10.051 5.020 ( -2.021 6.200 -1.636) 6.723 6.128 ( 1.614 5.045 -4.242) 6.786 7.551 ( -1.564 6.450 -3.465) 7.487 7.831 ( 22.662 0.331 -3.071) 22.872 8.215 ( -7.694 7.602 3.381) 11.332 8.920 ( 3.279 7.141 -0.665) 7.886 10.837 ( -5.769 -28.193 4.398) 29.111 13.911 ( -8.446 3.074 -3.264) 9.563 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 1.309 -2.690 5.919) 6.632 3.427 ( 14.077 4.800 4.460) 15.527 4.251 ( 4.988 14.073 -3.765) 15.398 4.710 ( 13.468 3.088 -0.910) 13.848 5.020 ( -3.431 4.729 1.050) 5.936 6.182 ( 0.840 3.482 -2.336) 4.277 7.504 ( -6.804 4.388 -3.721) 8.910 8.197 ( 9.120 9.923 -5.695) 14.631 8.359 ( 20.029 4.772 4.692) 21.118 9.023 ( -0.763 8.607 1.615) 8.790 10.452 ( -9.214 -25.796 1.934) 27.460 13.766 ( -9.066 0.112 -0.818) 9.103 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 1.080 -0.507 2.431) 2.708 3.682 ( 8.799 5.032 2.352) 10.405 4.405 ( 1.777 6.830 -1.282) 7.173 4.909 ( 4.938 -2.411 -4.765) 7.273 5.099 ( 6.796 11.455 4.906) 14.194 6.189 ( -1.795 -0.025 -1.120) 2.116 7.429 ( -4.079 2.976 -1.406) 5.242 8.442 ( 8.099 15.156 0.123) 17.185 8.803 ( 23.133 1.621 -3.461) 23.446 9.075 ( -4.952 10.640 3.745) 12.319 10.034 ( -11.725 -22.655 0.344) 25.512 13.612 ( -6.702 -2.474 0.056) 7.144 ======================= Grid point 920 (322/417) ======================= q-point: (-0.19 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 1.470 2.546 -0.000) 2.940 3.851 ( 3.694 6.399 -0.000) 7.389 4.442 ( -0.419 -0.727 0.000) 0.839 4.882 ( -1.669 -2.890 -0.000) 3.338 5.391 ( 7.999 13.854 -0.000) 15.997 6.108 ( -3.446 -5.969 -0.000) 6.892 7.425 ( 0.991 1.717 -0.000) 1.983 8.763 ( 9.413 16.303 -0.000) 18.825 8.989 ( -1.075 -1.862 -0.000) 2.150 9.200 ( 6.330 10.965 0.000) 12.661 9.624 ( -11.004 -19.060 0.000) 22.009 13.510 ( -1.550 -2.685 -0.000) 3.101 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.000 -5.400 17.799) 18.601 2.656 ( 0.000 11.661 4.892) 12.646 3.891 ( -0.000 7.583 -3.811) 8.487 4.373 ( -0.000 9.868 -0.977) 9.917 5.055 ( -0.000 7.756 -1.375) 7.877 6.093 ( -0.000 5.394 -5.917) 8.006 7.284 ( -0.000 -1.003 -1.736) 2.005 7.662 ( -0.000 5.805 -0.303) 5.813 8.514 ( 0.000 8.155 1.963) 8.388 8.730 ( -0.000 2.966 -2.709) 4.017 10.932 ( 0.000 -27.956 4.930) 28.387 14.083 ( -0.000 4.832 -4.445) 6.565 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.707 -3.366 18.709) 19.022 2.891 ( 12.547 7.768 5.292) 15.677 3.999 ( 6.255 7.561 -4.858) 10.949 4.470 ( 1.829 6.503 -0.163) 6.758 5.105 ( -1.336 5.258 -0.101) 5.427 6.136 ( 1.051 5.382 -4.356) 7.003 7.406 ( 16.283 -0.196 -3.766) 16.714 7.707 ( -2.242 7.629 -3.452) 8.669 8.460 ( -10.676 6.376 3.289) 12.863 8.875 ( 8.526 4.637 0.756) 9.735 10.657 ( -2.917 -25.216 2.294) 25.488 14.064 ( -5.773 3.714 -1.768) 7.089 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -1.143 -1.733 15.338) 15.478 3.227 ( 15.990 4.140 6.041) 17.587 4.214 ( 10.871 8.758 -6.537) 15.415 4.563 ( 4.620 1.491 0.525) 4.883 5.121 ( -2.280 4.242 1.974) 5.205 6.193 ( 1.005 4.520 -2.702) 5.361 7.686 ( -7.582 9.063 -5.612) 13.081 7.791 ( 28.326 1.173 -5.697) 28.917 8.401 ( -4.265 6.346 5.795) 9.594 9.054 ( 5.838 4.145 3.340) 7.900 10.350 ( -6.403 -21.458 -0.179) 22.394 13.951 ( -10.212 2.187 0.069) 10.443 ======================= Grid point 936 (326/417) ======================= q-point: (-0.25 -0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -0.855 -0.444 9.933) 9.980 3.541 ( 13.667 2.704 6.163) 15.234 4.420 ( 4.275 6.888 -6.030) 10.104 4.687 ( 11.795 -3.576 -2.386) 12.554 5.155 ( 0.420 5.679 5.829) 8.149 6.220 ( -1.352 2.086 -2.264) 3.362 7.590 ( -9.136 6.495 -3.275) 11.678 8.315 ( 29.753 5.197 -7.274) 31.067 8.489 ( 4.391 5.960 5.808) 9.409 9.179 ( 2.846 2.966 5.686) 7.016 10.013 ( -10.115 -16.854 -2.261) 19.786 13.773 ( -11.769 0.861 0.740) 11.823 ======================= Grid point 950 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 -1.929 24.639) 24.714 2.864 ( 0.000 5.715 4.617) 7.347 3.976 ( -0.000 4.146 -4.977) 6.477 4.516 ( -0.000 5.093 -0.458) 5.113 5.165 ( 0.000 4.123 1.097) 4.266 6.171 ( -0.000 5.866 -2.762) 6.483 7.224 ( -0.000 -2.214 -4.291) 4.828 7.814 ( -0.000 12.257 -6.047) 13.668 8.691 ( 0.000 6.353 4.551) 7.815 8.762 ( 0.000 -1.008 2.379) 2.583 10.461 ( 0.000 -20.165 -0.216) 20.166 14.149 ( -0.000 3.430 0.009) 3.430 ======================= Grid point 951 (328/417) ======================= q-point: (-0.31 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -2.921 -1.078 23.611) 23.816 3.034 ( 11.917 2.578 5.684) 13.452 4.062 ( 8.485 2.777 -6.006) 10.760 4.554 ( 0.184 2.149 -0.458) 2.205 5.198 ( -1.218 3.587 2.575) 4.580 6.223 ( 0.293 5.278 -1.412) 5.472 7.349 ( 18.256 -1.770 -5.146) 19.050 7.887 ( -4.419 14.891 -8.119) 17.527 8.574 ( -8.720 0.296 6.176) 10.689 8.942 ( 10.258 -0.554 4.901) 11.382 10.256 ( -3.668 -13.878 -2.547) 14.579 14.127 ( -6.425 2.785 1.230) 7.110 ======================= Grid point 952 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -3.971 -1.171 17.413) 17.899 3.325 ( 16.060 0.562 7.630) 17.790 4.262 ( 14.388 1.539 -7.907) 16.489 4.555 ( 0.157 -2.173 -0.492) 2.233 5.227 ( -0.757 4.010 4.892) 6.370 6.259 ( -0.930 3.025 -1.580) 3.537 7.676 ( 15.966 -2.155 -5.899) 17.157 7.941 ( 3.801 14.623 -5.907) 16.223 8.517 ( -0.103 -0.469 6.842) 6.859 9.102 ( 7.769 -2.933 6.358) 10.459 10.042 ( -7.925 -6.555 -4.376) 11.177 14.001 ( -11.399 2.304 1.544) 11.731 ======================= Grid point 967 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.000 -1.049 27.421) 27.441 2.954 ( 0.000 -0.261 5.069) 5.076 3.976 ( -0.000 0.015 -6.129) 6.129 4.566 ( -0.000 0.499 -1.267) 1.362 5.253 ( 0.000 3.275 3.630) 4.889 6.269 ( -0.000 4.498 -0.453) 4.521 7.146 ( -0.000 -1.697 -5.541) 5.795 8.059 ( -0.000 18.300 -9.528) 20.632 8.685 ( 0.000 -10.921 7.559) 13.281 8.809 ( 0.000 1.222 5.751) 5.880 10.179 ( -0.000 -5.714 -4.064) 7.011 14.218 ( 0.000 2.807 1.949) 3.417 ======================= Grid point 968 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -5.673 -2.291 23.536) 24.318 3.082 ( 13.228 -2.615 7.166) 15.270 4.019 ( 8.807 -2.116 -6.921) 11.399 4.545 ( -0.945 -2.183 -2.086) 3.164 5.295 ( -0.602 3.310 5.083) 6.095 6.294 ( -0.792 1.725 -1.252) 2.274 7.271 ( 17.644 -1.725 -5.663) 18.611 8.163 ( -5.680 18.887 -8.549) 21.496 8.521 ( -3.903 -11.803 9.400) 15.586 8.939 ( 9.305 -3.080 5.562) 11.270 10.109 ( -4.188 2.133 -4.533) 6.530 14.194 ( -6.802 2.887 1.894) 7.628 ======================= Grid point 984 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 0.000 -3.825 25.771) 26.054 2.932 ( 0.000 -6.338 6.469) 9.057 3.887 ( -0.000 -3.770 -7.162) 8.094 4.513 ( -0.000 -4.124 -3.203) 5.222 5.349 ( 0.000 2.317 6.020) 6.451 6.298 ( -0.000 -1.548 -2.382) 2.841 7.081 ( -0.000 -0.592 -5.444) 5.476 8.342 ( -0.000 6.151 -1.965) 6.458 8.506 ( 0.000 -1.991 3.266) 3.825 8.819 ( 0.000 -4.403 5.508) 7.052 10.187 ( -0.000 9.112 -3.490) 9.758 14.291 ( 0.000 3.400 1.468) 3.703 ======================= Grid point 1105 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.000 -0.000 16.903) 16.903 0.918 ( 0.000 -0.000 16.903) 16.903 1.659 ( 0.000 -0.000 31.698) 31.698 2.990 ( -0.000 0.000 -3.319) 3.319 2.990 ( -0.000 0.000 -3.319) 3.319 6.699 ( 0.000 -0.000 3.170) 3.170 6.699 ( 0.000 -0.000 3.170) 3.170 7.091 ( -0.000 0.000 -13.324) 13.324 8.628 ( -0.000 0.000 -2.582) 2.582 8.628 ( -0.000 0.000 -2.582) 2.582 12.665 ( 0.000 -0.000 6.638) 6.638 13.330 ( -0.000 0.000 -3.786) 3.786 ======================= Grid point 1106 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 22.664 13.085 14.250) 29.799 1.297 ( 16.732 9.660 11.258) 22.362 1.866 ( 10.120 5.843 25.076) 27.665 2.943 ( -0.267 -0.154 -3.175) 3.190 3.127 ( 9.961 5.751 -3.613) 12.056 6.201 ( -17.493 -10.100 4.195) 20.630 6.741 ( 2.425 1.400 3.217) 4.265 7.847 ( 35.890 20.721 -16.847) 44.736 8.537 ( -4.279 -2.471 -4.711) 6.828 8.580 ( -2.721 -1.571 -2.590) 4.072 12.647 ( -3.964 -2.289 7.899) 9.129 13.543 ( 15.600 9.007 -15.585) 23.820 ======================= Grid point 1107 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 11.544 6.665 13.622) 19.059 1.737 ( 18.669 10.779 4.396) 22.001 2.406 ( 29.044 16.769 12.118) 35.660 2.957 ( 2.328 1.344 -1.165) 2.930 3.420 ( 17.406 10.049 -3.555) 20.411 5.950 ( -7.443 -4.297 1.418) 8.711 6.834 ( 4.490 2.592 3.344) 6.170 8.158 ( -2.701 -1.559 -2.046) 3.730 8.492 ( -3.767 -2.175 -2.594) 5.064 8.668 ( 16.990 9.809 -16.842) 25.856 12.562 ( -6.341 -3.661 12.038) 14.090 13.733 ( 6.551 3.782 -25.030) 26.148 ======================= Grid point 1108 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 8.434 4.870 5.975) 11.426 2.163 ( 17.919 10.346 -3.111) 20.924 3.044 ( 5.021 2.899 3.108) 6.578 3.086 ( 24.789 14.312 7.018) 29.471 3.918 ( 27.010 15.594 -3.549) 31.389 5.818 ( -4.681 -2.702 -0.443) 5.423 6.963 ( 5.382 3.107 3.666) 7.215 8.073 ( -1.999 -1.154 -1.494) 2.750 8.406 ( -2.389 -1.379 -2.771) 3.911 8.851 ( 2.728 1.575 -14.791) 15.123 12.437 ( -10.424 -6.019 16.163) 20.153 13.696 ( 0.716 0.414 -24.758) 24.772 ======================= Grid point 1109 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 7.550 4.359 -3.890) 9.547 2.513 ( 14.549 8.400 -9.653) 19.376 3.212 ( 7.707 4.450 8.140) 12.060 3.587 ( 17.805 10.280 6.039) 21.428 4.545 ( 26.938 15.552 -5.959) 31.671 5.732 ( -2.565 -1.481 0.722) 3.049 7.087 ( 3.587 2.071 4.332) 5.994 8.071 ( 2.162 1.248 -4.364) 5.028 8.386 ( 2.096 1.210 -3.391) 4.167 8.710 ( -8.929 -5.155 -10.941) 15.033 12.138 ( -21.049 -12.153 11.920) 27.071 13.684 ( 5.857 3.381 -14.578) 16.070 ======================= Grid point 1110 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 5.637 3.255 -13.274) 14.784 2.755 ( 10.368 5.986 -11.480) 16.587 3.441 ( 8.797 5.079 10.014) 14.264 3.971 ( 13.900 8.025 6.402) 17.280 5.015 ( 15.705 9.067 -10.617) 21.013 5.740 ( 3.210 1.853 4.635) 5.935 7.146 ( 0.062 0.036 5.067) 5.068 8.045 ( -4.619 -2.667 -13.485) 14.502 8.482 ( 7.247 4.184 -4.305) 9.411 8.520 ( -1.648 -0.951 1.211) 2.255 11.595 ( -27.819 -16.061 5.302) 32.557 13.835 ( 9.325 5.384 -4.692) 11.745 ======================= Grid point 1111 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 3.148 1.818 -20.976) 21.289 2.912 ( 6.991 4.036 -9.656) 12.585 3.665 ( 7.138 4.121 9.210) 12.360 4.268 ( 9.852 5.688 6.143) 12.929 5.199 ( 5.533 3.195 -10.314) 12.133 5.905 ( 8.403 4.851 4.798) 10.824 7.139 ( -2.073 -1.197 5.424) 5.929 7.816 ( -7.722 -4.458 -9.365) 12.931 8.636 ( 7.979 4.607 3.002) 9.690 8.656 ( 8.771 5.064 -5.065) 11.324 10.968 ( -27.223 -15.717 2.674) 31.548 14.027 ( 7.814 4.511 -1.304) 9.116 ======================= Grid point 1112 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.779 0.450 -25.892) 25.907 3.003 ( 3.744 2.161 -7.521) 8.675 3.824 ( 3.800 2.194 8.196) 9.297 4.461 ( 5.071 2.927 4.904) 7.637 5.258 ( 3.269 1.887 -7.255) 8.178 6.110 ( 7.672 4.430 2.766) 9.281 7.107 ( -2.294 -1.324 5.483) 6.089 7.731 ( 2.805 1.619 0.934) 3.371 8.805 ( 4.729 2.730 -1.393) 5.635 8.812 ( 6.059 3.498 -5.547) 8.929 10.422 ( -20.203 -11.664 2.931) 23.512 14.166 ( 4.669 2.696 -1.291) 5.544 ======================= Grid point 1113 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -1.276 -0.737 -27.406) 27.445 3.019 ( -0.260 -0.150 -6.449) 6.456 3.897 ( 0.022 0.013 7.601) 7.602 4.538 ( 0.397 0.229 3.717) 3.746 5.307 ( 3.155 1.821 -5.736) 6.795 6.257 ( 4.108 2.372 1.727) 5.049 7.083 ( -1.498 -0.865 5.471) 5.738 7.956 ( 14.465 8.351 8.606) 18.789 8.769 ( -7.243 -4.182 -7.248) 11.067 8.874 ( 1.055 0.609 -5.715) 5.844 10.132 ( -5.405 -3.120 4.130) 7.484 14.239 ( 2.590 1.495 -1.682) 3.431 ======================= Grid point 1122 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.000 1.642 16.057) 16.141 1.535 ( 0.000 24.354 17.769) 30.147 1.981 ( 0.000 16.736 17.173) 23.979 3.003 ( -0.000 7.230 -3.162) 7.892 3.056 ( -0.000 6.006 -3.112) 6.764 6.223 ( 0.000 -19.486 3.358) 19.773 6.745 ( 0.000 2.483 3.261) 4.099 7.767 ( -0.000 37.912 -14.370) 40.544 8.506 ( -0.000 -5.220 -4.892) 7.154 8.592 ( -0.000 -2.132 -2.715) 3.452 12.671 ( 0.000 -5.122 8.010) 9.508 13.500 ( -0.000 17.154 -14.160) 22.244 ======================= Grid point 1123 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 26.084 5.031 9.630) 28.257 1.792 ( 3.553 7.282 21.360) 22.845 2.342 ( 8.277 30.679 2.801) 31.899 3.040 ( -1.845 12.589 0.195) 12.725 3.251 ( 11.932 9.555 -3.569) 15.697 6.022 ( -6.072 -7.879 1.860) 10.120 6.818 ( 2.946 4.197 3.312) 6.104 8.064 ( 6.012 -1.437 -3.357) 7.034 8.504 ( 0.520 3.199 -8.789) 9.367 8.558 ( 3.292 9.655 -8.064) 13.003 12.620 ( -2.289 -7.487 10.826) 13.360 13.636 ( 3.318 12.010 -21.615) 24.949 ======================= Grid point 1124 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 14.821 2.453 3.549) 15.437 2.067 ( 13.184 11.394 12.055) 21.188 2.747 ( 12.030 11.141 -2.469) 16.581 3.248 ( 2.703 25.000 5.388) 25.716 3.645 ( 21.792 16.124 -3.775) 27.370 5.881 ( -5.225 -2.616 0.272) 5.850 6.948 ( 4.202 6.672 3.543) 8.644 8.006 ( 0.908 -10.652 -0.464) 10.700 8.430 ( -2.456 -2.371 -4.509) 5.655 8.774 ( 5.269 9.765 -12.772) 16.919 12.533 ( -3.957 -10.375 15.330) 18.929 13.644 ( -1.670 6.265 -24.682) 25.519 ======================= Grid point 1125 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 9.072 -1.770 -1.865) 9.429 2.469 ( 9.052 21.590 -1.826) 23.482 3.011 ( 15.205 -0.836 3.393) 15.601 3.590 ( 6.309 22.086 5.391) 23.594 4.241 ( 25.736 19.592 -4.883) 32.711 5.787 ( -4.151 -0.068 0.849) 4.238 7.105 ( 2.955 8.605 4.107) 9.982 7.950 ( 4.194 -8.246 -2.225) 9.515 8.370 ( 0.110 -0.793 -6.306) 6.356 8.770 ( -5.426 0.067 -9.044) 10.547 12.333 ( -12.310 -16.360 13.692) 24.631 13.602 ( 1.414 6.259 -17.842) 18.960 ======================= Grid point 1126 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 7.988 -3.674 -9.718) 13.105 2.756 ( 2.361 21.803 -9.596) 23.938 3.307 ( 15.542 1.494 9.065) 18.055 3.927 ( 8.045 16.560 5.329) 19.166 4.779 ( 19.339 12.669 -8.316) 24.570 5.763 ( -0.780 3.116 3.901) 5.053 7.227 ( -1.296 8.785 4.915) 10.150 7.945 ( 4.338 -7.269 -7.439) 11.269 8.360 ( 2.729 -2.045 -9.111) 9.728 8.634 ( -5.418 3.669 -0.389) 6.555 11.878 ( -22.777 -20.009 6.101) 30.925 13.707 ( 8.310 5.363 -6.288) 11.720 ======================= Grid point 1127 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 6.311 -5.071 -16.894) 18.733 2.935 ( 0.218 18.151 -10.168) 20.806 3.610 ( 10.593 6.155 9.321) 15.394 4.221 ( 7.345 11.469 5.037) 14.520 5.070 ( 9.443 4.498 -9.529) 14.149 5.864 ( 4.668 6.020 5.551) 9.426 7.274 ( -5.232 9.004 5.473) 11.764 7.831 ( -4.415 -6.745 -10.321) 13.097 8.399 ( 9.321 -3.033 -3.527) 10.417 8.716 ( 3.545 11.466 0.564) 12.015 11.264 ( -26.134 -19.531 2.227) 32.702 13.895 ( 9.925 1.923 -1.070) 10.166 ======================= Grid point 1128 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 4.370 -5.840 -22.177) 23.346 3.052 ( -1.530 15.031 -8.693) 17.431 3.846 ( 4.430 8.304 8.364) 12.591 4.432 ( 4.797 6.301 3.861) 8.811 5.178 ( 4.856 1.517 -6.953) 8.616 6.044 ( 6.644 5.405 3.809) 9.374 7.288 ( -7.782 12.442 5.923) 15.825 7.694 ( -0.247 -3.095 -2.468) 3.966 8.549 ( 11.636 -3.510 -3.874) 12.756 8.903 ( 2.947 12.473 -1.703) 12.929 10.660 ( -22.819 -16.780 1.809) 28.383 14.052 ( 8.239 -1.607 -0.614) 8.416 ======================= Grid point 1129 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 2.604 -6.067 -24.525) 25.398 3.109 ( -4.397 12.438 -7.488) 15.169 3.984 ( -1.441 8.274 7.592) 11.322 4.537 ( 1.609 1.578 2.587) 3.431 5.241 ( 3.839 1.134 -5.081) 6.468 6.205 ( 5.448 3.177 1.907) 6.589 7.287 ( -10.661 14.902 5.518) 19.136 7.804 ( 12.573 2.477 6.497) 14.367 8.645 ( 5.635 -6.058 -6.204) 10.341 8.999 ( -4.141 9.530 -4.999) 11.531 10.221 ( -11.552 -10.969 3.499) 16.310 14.142 ( 6.248 -3.927 -1.469) 7.525 ======================= Grid point 1139 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 12.079 12.959) 17.716 1.853 ( 0.000 -3.963 22.719) 23.062 2.667 ( -0.000 41.292 -5.267) 41.626 3.178 ( -0.000 8.581 -3.071) 9.114 3.248 ( -0.000 18.515 1.771) 18.599 6.004 ( 0.000 -6.333 1.039) 6.418 6.848 ( 0.000 5.456 3.266) 6.359 7.970 ( 0.000 -8.425 0.164) 8.427 8.507 ( -0.000 -4.063 -2.897) 4.990 8.601 ( -0.000 19.332 -14.127) 23.944 12.588 ( 0.000 -10.792 11.946) 16.099 13.663 ( -0.000 13.076 -22.573) 26.087 ======================= Grid point 1140 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 17.046 11.440 7.123) 21.730 1.942 ( 9.455 -4.173 18.788) 21.443 2.914 ( -7.736 25.912 -7.490) 28.060 3.452 ( 14.331 13.594 -3.493) 20.059 3.493 ( 4.702 30.178 3.590) 30.752 5.931 ( -3.119 -2.201 -0.187) 3.822 6.961 ( 4.105 7.586 3.325) 9.244 7.875 ( 0.812 -11.938 1.762) 12.095 8.420 ( -2.884 -3.875 -4.627) 6.689 8.763 ( 3.771 11.282 -11.151) 16.305 12.505 ( -1.090 -14.420 14.811) 20.700 13.675 ( -2.344 10.204 -24.024) 26.207 ======================= Grid point 1141 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 6.212 -1.274 1.191) 6.452 2.370 ( 25.293 9.863 13.393) 30.272 2.979 ( -4.718 17.473 -7.176) 19.470 3.731 ( 5.182 18.110 2.093) 18.953 4.050 ( 19.235 26.730 -3.277) 33.094 5.864 ( -3.636 0.978 -0.010) 3.765 7.154 ( 5.475 11.043 3.628) 12.849 7.797 ( 2.301 -9.695 1.258) 10.043 8.317 ( -1.315 -4.382 -7.442) 8.736 8.815 ( -1.486 2.180 -7.463) 7.915 12.350 ( -5.072 -20.084 14.746) 25.427 13.627 ( -3.210 9.261 -19.879) 22.164 ======================= Grid point 1142 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 5.623 -4.545 -4.618) 8.579 2.932 ( 13.376 22.209 4.125) 26.252 3.076 ( 6.531 7.379 -1.751) 10.009 4.012 ( 5.559 17.543 3.058) 18.655 4.574 ( 17.269 16.970 -6.178) 24.987 5.841 ( -2.136 4.290 2.215) 5.279 7.361 ( 1.857 13.036 3.950) 13.747 7.772 ( 4.004 -6.965 -0.549) 8.053 8.246 ( 2.435 -4.075 -11.170) 12.136 8.743 ( -4.431 1.339 -2.258) 5.151 12.008 ( -14.417 -24.015 8.368) 29.234 13.643 ( 2.257 7.159 -9.491) 12.101 ======================= Grid point 1143 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 4.926 -5.716 -10.453) 12.892 3.134 ( -3.465 20.655 -9.271) 22.904 3.475 ( 17.881 9.723 9.972) 22.665 4.276 ( 4.472 15.177 3.144) 16.132 4.907 ( 11.300 6.585 -7.655) 15.154 5.902 ( 1.113 6.880 4.431) 8.259 7.473 ( -2.993 9.184 2.585) 10.000 7.771 ( 0.962 -2.059 -1.826) 2.915 8.247 ( 5.015 -0.103 -9.738) 10.954 8.751 ( 2.445 5.980 0.901) 6.523 11.475 ( -21.481 -23.424 2.886) 31.913 13.753 ( 6.976 1.822 -2.079) 7.504 ======================= Grid point 1144 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 3.597 -5.954 -15.173) 16.692 3.234 ( -3.104 17.722 -8.573) 19.930 3.862 ( 10.065 12.386 8.945) 18.295 4.472 ( 1.721 10.907 2.159) 11.251 5.068 ( 6.895 1.735 -6.297) 9.498 6.029 ( 3.586 6.190 4.295) 8.344 7.507 ( 0.296 4.356 1.723) 4.694 7.747 ( -7.224 8.679 1.495) 11.390 8.343 ( 8.034 1.702 -6.289) 10.344 8.922 ( 6.912 8.864 -0.754) 11.266 10.874 ( -22.688 -20.834 1.059) 30.821 13.875 ( 8.212 -3.608 -0.107) 8.970 ======================= Grid point 1145 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 2.239 -5.328 -17.771) 18.687 3.306 ( -4.489 15.816 -7.868) 18.226 4.128 ( 2.308 13.237 8.437) 15.866 4.562 ( -1.014 5.078 0.924) 5.260 5.159 ( 4.904 1.077 -4.826) 6.964 6.162 ( 4.305 3.677 2.864) 6.345 7.631 ( 10.139 -0.808 4.094) 10.964 7.724 ( -13.513 22.597 5.670) 26.932 8.471 ( 7.500 0.205 -6.414) 9.871 9.093 ( 2.343 8.442 -3.634) 9.485 10.338 ( -16.915 -17.124 1.899) 24.144 13.955 ( 7.766 -7.326 -0.707) 10.700 ======================= Grid point 1156 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 0.000 17.202 10.693) 20.254 1.854 ( 0.000 -8.582 14.706) 17.027 3.327 ( -0.000 28.924 -6.752) 29.701 3.342 ( -0.000 10.257 -3.340) 10.787 3.777 ( -0.000 31.615 2.176) 31.690 5.939 ( -0.000 -0.650 -1.645) 1.768 7.005 ( 0.000 7.676 2.937) 8.218 7.767 ( 0.000 -10.478 3.950) 11.198 8.401 ( -0.000 -4.039 -2.836) 4.935 8.778 ( -0.000 6.617 -10.907) 12.757 12.407 ( 0.000 -18.604 15.202) 24.025 13.718 ( -0.000 11.269 -23.159) 25.755 ======================= Grid point 1157 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.246 -0.735 6.204) 6.252 2.072 ( 22.277 8.601 13.401) 27.383 3.290 ( -9.972 18.139 -5.469) 21.410 3.728 ( 11.780 16.148 -2.389) 20.131 4.141 ( 5.384 31.095 -0.817) 31.568 5.919 ( -1.569 1.610 -2.412) 3.297 7.154 ( 6.546 9.038 2.501) 11.436 7.698 ( 0.612 -7.656 4.934) 9.128 8.307 ( -4.598 -3.504 -4.360) 7.240 8.796 ( 1.621 0.540 -8.158) 8.335 12.243 ( -1.803 -23.556 14.390) 27.662 13.717 ( -3.318 11.161 -19.520) 22.729 ======================= Grid point 1158 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 1.986 -4.918 1.929) 5.643 2.661 ( 26.873 10.075 11.123) 30.779 3.314 ( -6.741 20.729 -6.780) 22.828 4.052 ( 9.353 14.432 0.215) 17.199 4.524 ( 8.295 21.610 -3.485) 23.408 5.917 ( -0.962 4.495 -1.350) 4.791 7.397 ( 8.011 9.181 1.120) 12.236 7.689 ( 2.859 -1.818 5.246) 6.245 8.164 ( -3.923 -4.336 -7.328) 9.375 8.781 ( -0.459 -0.021 -4.368) 4.392 11.966 ( -6.911 -27.446 10.064) 30.039 13.698 ( -3.252 9.357 -11.932) 15.508 ======================= Grid point 1159 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 2.387 -5.230 -2.470) 6.257 3.182 ( 16.962 5.409 5.952) 18.772 3.454 ( 1.795 25.603 -3.957) 25.970 4.341 ( 7.370 14.062 1.443) 15.942 4.796 ( 7.006 9.826 -4.778) 12.979 5.970 ( 0.675 6.698 0.727) 6.771 7.507 ( 0.977 -1.227 -2.335) 2.813 7.838 ( 1.353 11.882 9.276) 15.134 8.100 ( 6.844 -0.598 -11.329) 13.249 8.773 ( -0.048 2.859 -0.981) 3.023 11.540 ( -13.731 -27.547 4.600) 31.121 13.708 ( -0.039 4.323 -4.352) 6.135 ======================= Grid point 1160 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 1.664 -4.637 -6.433) 8.103 3.386 ( 1.490 11.176 -3.975) 11.955 3.837 ( 11.957 18.507 5.000) 22.593 4.577 ( 2.765 13.712 1.415) 14.059 4.943 ( 6.391 2.086 -4.538) 8.111 6.063 ( 1.666 6.116 2.273) 6.734 7.468 ( 0.385 -3.761 -2.378) 4.466 7.961 ( -0.457 10.606 6.928) 12.676 8.284 ( 5.949 13.273 -8.008) 16.604 8.855 ( 6.332 4.088 -0.134) 7.538 11.010 ( -18.309 -24.883 1.295) 30.920 13.739 ( 3.072 -2.073 -0.579) 3.751 ======================= Grid point 1161 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.711 -3.207 -9.233) 9.800 3.484 ( -1.728 13.142 -5.651) 14.409 4.193 ( 8.228 13.119 6.409) 16.760 4.697 ( -3.880 11.235 1.305) 11.958 5.052 ( 6.819 1.059 -4.539) 8.259 6.154 ( 2.148 3.381 2.702) 4.832 7.476 ( 5.673 -3.528 1.191) 6.786 8.124 ( -0.263 17.965 6.454) 19.091 8.423 ( -1.824 13.541 -6.045) 14.941 9.045 ( 9.365 4.717 -2.359) 10.748 10.460 ( -18.372 -21.491 0.455) 28.277 13.761 ( 5.048 -7.246 -0.069) 8.832 ======================= Grid point 1173 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 -8.613 11.660) 14.496 2.010 ( 0.000 18.004 9.218) 20.227 3.525 ( -0.000 10.746 -3.948) 11.448 3.772 ( -0.000 20.905 -3.221) 21.151 4.392 ( -0.000 27.741 -1.239) 27.768 5.935 ( -0.000 2.447 -4.785) 5.374 7.174 ( 0.000 6.883 1.697) 7.089 7.654 ( 0.000 -5.243 7.259) 8.954 8.329 ( -0.000 -0.635 -1.805) 1.913 8.735 ( -0.000 -1.640 -8.554) 8.709 12.060 ( 0.000 -27.079 12.769) 29.939 13.793 ( -0.000 11.623 -16.659) 20.313 ======================= Grid point 1174 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -1.598 -6.021 9.315) 11.206 2.405 ( 19.374 13.849 9.661) 25.700 3.570 ( -4.289 14.531 -5.263) 16.039 4.031 ( 7.783 15.284 -1.572) 17.224 4.650 ( 1.919 20.855 -1.591) 21.004 5.949 ( 0.453 4.169 -5.298) 6.756 7.319 ( 8.523 5.694 0.176) 10.252 7.649 ( 1.368 -2.567 7.067) 7.642 8.248 ( -8.187 0.926 -1.975) 8.473 8.731 ( 3.525 -0.036 -5.823) 6.806 11.798 ( -2.736 -29.863 9.551) 31.472 13.818 ( -3.551 10.388 -11.487) 15.890 ======================= Grid point 1175 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -0.425 -4.693 6.507) 8.034 2.927 ( 21.959 8.962 8.685) 25.258 3.666 ( -0.831 19.133 -6.405) 20.194 4.308 ( 9.670 11.224 -0.145) 14.815 4.836 ( 0.943 12.352 -1.441) 12.472 6.001 ( 1.969 5.664 -3.994) 7.205 7.480 ( 2.332 1.412 0.052) 2.727 7.786 ( 14.797 3.837 0.739) 15.305 8.105 ( -8.687 3.223 0.621) 9.287 8.789 ( 2.128 4.289 -2.628) 5.461 11.444 ( -6.946 -30.423 5.426) 31.674 13.796 ( -5.037 6.952 -5.685) 10.297 ======================= Grid point 1176 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -0.498 -3.400 3.316) 4.776 3.336 ( 13.305 5.936 4.738) 15.321 3.889 ( 5.940 20.693 -4.040) 21.904 4.584 ( 10.482 9.451 0.136) 14.115 4.920 ( -0.785 5.742 -0.501) 5.817 6.087 ( 2.493 5.237 -1.866) 6.093 7.459 ( -2.998 -0.710 -0.853) 3.197 8.033 ( 2.795 4.258 -4.660) 6.904 8.206 ( 15.616 12.682 4.675) 20.653 8.857 ( -0.092 6.869 -0.489) 6.887 11.006 ( -11.443 -28.491 1.978) 30.766 13.745 ( -4.299 1.739 -1.580) 4.899 ======================= Grid point 1177 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -0.978 -1.695 -0.000) 1.957 3.558 ( 4.696 8.134 -0.000) 9.393 4.192 ( 8.139 14.096 -0.000) 16.277 4.850 ( 7.195 12.462 -0.000) 14.390 4.937 ( 0.213 0.369 -0.000) 0.426 6.161 ( 1.587 2.748 -0.000) 3.173 7.406 ( -0.700 -1.212 -0.000) 1.399 8.173 ( 6.267 10.854 -0.000) 12.533 8.614 ( 10.136 17.556 -0.000) 20.272 8.923 ( 2.386 4.133 -0.000) 4.773 10.517 ( -14.528 -25.163 -0.000) 29.056 13.676 ( -2.082 -3.606 -0.000) 4.164 ======================= Grid point 1191 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.000 -6.402 14.958) 16.271 2.410 ( 0.000 15.313 7.949) 17.254 3.699 ( -0.000 9.943 -4.822) 11.051 4.115 ( -0.000 15.665 -2.117) 15.807 4.821 ( -0.000 16.334 -0.412) 16.339 5.961 ( -0.000 4.774 -7.049) 8.513 7.271 ( -0.000 2.185 -1.054) 2.426 7.647 ( 0.000 -1.945 7.630) 7.874 8.374 ( 0.000 5.682 0.930) 5.757 8.660 ( -0.000 1.134 -6.154) 6.257 11.550 ( 0.000 -31.209 7.347) 32.062 13.915 ( -0.000 9.883 -8.637) 13.125 ======================= Grid point 1192 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -2.372 -4.083 15.563) 16.263 2.725 ( 15.453 11.255 7.970) 20.712 3.788 ( 1.459 11.607 -5.981) 13.138 4.289 ( 4.655 11.531 -1.261) 12.499 4.953 ( -0.543 10.818 0.634) 10.850 6.002 ( 1.665 5.762 -6.347) 8.733 7.376 ( 10.477 1.584 -3.025) 11.019 7.661 ( 1.142 -1.311 4.614) 4.931 8.329 ( -10.130 6.721 1.908) 12.306 8.754 ( 6.571 5.778 -2.701) 9.158 11.238 ( -2.895 -31.095 4.406) 31.539 13.940 ( -4.461 7.875 -4.830) 10.259 ======================= Grid point 1193 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -2.893 -2.296 13.279) 13.783 3.143 ( 17.705 6.695 7.505) 20.362 3.954 ( 5.639 14.742 -7.193) 17.345 4.485 ( 8.119 6.595 -0.314) 10.464 5.021 ( -2.035 6.847 2.007) 7.420 6.078 ( 2.695 5.554 -4.423) 7.595 7.523 ( -0.629 4.170 -1.633) 4.522 7.784 ( 18.097 -0.791 -4.454) 18.654 8.272 ( -4.894 8.248 6.009) 11.318 8.917 ( 3.755 8.857 0.124) 9.621 10.871 ( -6.203 -29.427 1.623) 30.118 13.883 ( -7.765 4.603 -1.620) 9.171 ======================= Grid point 1209 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 0.000 -2.847 21.870) 22.055 2.723 ( 0.000 10.493 6.834) 12.522 3.837 ( -0.000 7.737 -5.814) 9.678 4.359 ( -0.000 10.488 -1.866) 10.652 5.057 ( 0.000 7.833 1.967) 8.076 6.026 ( -0.000 6.797 -5.825) 8.951 7.251 ( -0.000 -1.721 -3.888) 4.252 7.676 ( 0.000 1.108 2.893) 3.098 8.548 ( 0.000 9.017 3.907) 9.827 8.699 ( -0.000 5.452 -2.682) 6.076 10.973 ( 0.000 -29.783 2.338) 29.875 14.043 ( -0.000 7.157 -2.662) 7.636 ======================= Grid point 1211 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -4.065 -1.255 22.079) 22.485 2.962 ( 13.170 6.922 7.190) 16.525 3.933 ( 5.611 7.735 -6.850) 11.758 4.462 ( 2.396 6.922 -1.476) 7.472 5.121 ( -1.212 5.470 3.141) 6.423 6.089 ( 1.254 7.009 -4.094) 8.214 7.353 ( 15.384 -0.403 -5.413) 16.313 7.684 ( -2.391 3.074 -0.648) 3.948 8.503 ( -9.858 7.423 4.167) 13.025 8.887 ( 8.969 6.900 1.243) 11.385 10.670 ( -2.996 -26.987 0.092) 27.153 14.051 ( -5.613 5.357 -0.519) 7.776 ======================= Grid point 1228 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.000 -0.505 26.938) 26.942 2.925 ( 0.000 5.049 6.205) 8.000 3.909 ( -0.000 4.226 -6.762) 7.973 4.501 ( -0.000 5.483 -2.316) 5.952 5.193 ( 0.000 4.297 4.053) 5.907 6.140 ( -0.000 7.624 -2.629) 8.064 7.169 ( -0.000 -2.574 -5.364) 5.950 7.758 ( -0.000 8.111 -3.772) 8.945 8.749 ( 0.000 6.781 5.537) 8.754 8.786 ( 0.000 2.255 1.890) 2.943 10.449 ( 0.000 -22.057 -1.804) 22.131 14.154 ( 0.000 4.689 0.785) 4.754 ======================= Grid point 1383 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.000 -0.000 13.875) 13.875 1.093 ( 0.000 -0.000 13.875) 13.875 1.990 ( 0.000 -0.000 26.622) 26.622 2.951 ( -0.000 0.000 -3.399) 3.399 2.951 ( -0.000 0.000 -3.399) 3.399 6.735 ( 0.000 -0.000 3.028) 3.028 6.735 ( 0.000 -0.000 3.028) 3.028 6.940 ( -0.000 0.000 -13.097) 13.097 8.599 ( -0.000 0.000 -2.479) 2.479 8.599 ( -0.000 0.000 -2.479) 2.479 12.742 ( 0.000 -0.000 6.889) 6.889 13.284 ( -0.000 0.000 -4.333) 4.333 ======================= Grid point 1384 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 22.065 12.739 14.217) 29.176 1.401 ( 13.889 8.019 6.994) 17.497 2.124 ( 5.455 3.150 20.112) 21.075 2.913 ( 0.382 0.220 -1.993) 2.041 3.085 ( 9.872 5.700 -3.633) 11.964 6.231 ( -17.220 -9.942 1.236) 19.922 6.776 ( 2.473 1.428 2.856) 4.039 7.686 ( 36.845 21.273 -11.671) 44.117 8.488 ( -7.188 -4.150 -4.049) 9.235 8.552 ( -2.715 -1.567 -2.206) 3.833 12.738 ( -2.598 -1.500 8.235) 8.765 13.390 ( 8.661 5.000 -11.763) 15.439 ======================= Grid point 1385 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 15.735 9.085 -1.075) 18.201 1.830 ( 9.244 5.337 13.839) 17.477 2.528 ( 25.605 14.783 8.959) 30.893 2.959 ( 3.778 2.181 1.397) 4.581 3.379 ( 17.437 10.067 -3.675) 20.467 5.962 ( -8.178 -4.721 0.793) 9.476 6.869 ( 4.639 2.678 2.795) 6.042 8.145 ( -1.231 -0.711 -0.064) 1.423 8.466 ( -3.845 -2.220 -1.979) 4.861 8.487 ( 16.285 9.402 -15.094) 24.113 12.705 ( -3.736 -2.157 13.177) 13.865 13.473 ( 3.199 1.847 -21.019) 21.341 ======================= Grid point 1386 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 3.613 2.086 5.039) 6.543 2.097 ( 15.388 8.884 -8.162) 19.553 3.096 ( 6.927 3.999 5.677) 9.809 3.161 ( 24.012 13.863 5.910) 28.349 3.873 ( 26.639 15.380 -4.178) 31.042 5.822 ( -4.707 -2.718 1.135) 5.553 7.002 ( 5.723 3.304 3.000) 7.258 8.047 ( -3.037 -1.753 -3.238) 4.773 8.379 ( -2.690 -1.553 -2.044) 3.718 8.703 ( 3.808 2.199 -10.906) 11.759 12.617 ( -11.181 -6.456 15.155) 19.909 13.438 ( 3.543 2.045 -20.299) 20.707 ======================= Grid point 1387 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 2.773 1.601 -5.561) 6.417 2.391 ( 13.511 7.800 -11.615) 19.450 3.307 ( 8.902 5.140 8.361) 13.250 3.653 ( 17.910 10.340 5.422) 21.380 4.474 ( 25.223 14.563 -6.178) 29.773 5.757 ( -1.438 -0.830 3.630) 3.992 7.133 ( 4.121 2.380 3.689) 6.022 7.995 ( -0.517 -0.299 -8.880) 8.900 8.351 ( 1.513 0.873 -2.759) 3.265 8.623 ( -5.713 -3.298 -4.352) 7.903 12.240 ( -24.199 -13.971 5.634) 28.504 13.560 ( 10.740 6.201 -6.651) 14.072 ======================= Grid point 1388 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 1.587 0.916 -15.253) 15.362 2.628 ( 10.982 6.341 -10.942) 16.750 3.547 ( 8.853 5.111 8.549) 13.326 4.038 ( 13.992 8.078 5.173) 16.965 4.907 ( 14.472 8.355 -8.101) 18.571 5.802 ( 3.945 2.278 6.331) 7.800 7.202 ( 0.474 0.274 4.590) 4.623 7.891 ( -5.380 -3.106 -13.244) 14.629 8.435 ( 6.675 3.854 -3.947) 8.660 8.548 ( 1.152 0.665 3.583) 3.822 11.630 ( -28.757 -16.603 0.752) 33.214 13.809 ( 10.835 6.256 0.165) 12.512 ======================= Grid point 1389 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.328 0.190 -22.737) 22.740 2.809 ( 8.025 4.633 -8.433) 12.529 3.760 ( 6.872 3.968 7.638) 11.015 4.326 ( 9.562 5.521 3.994) 11.742 5.104 ( 6.347 3.665 -6.318) 9.676 5.962 ( 7.210 4.163 5.337) 9.889 7.199 ( -1.902 -1.098 5.126) 5.577 7.727 ( -3.396 -1.961 -6.182) 7.321 8.599 ( 8.398 4.848 -4.940) 10.882 8.669 ( 6.497 3.751 2.761) 7.994 10.985 ( -26.879 -15.519 0.227) 31.038 14.024 ( 7.490 4.324 0.697) 8.676 ======================= Grid point 1400 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.000 1.317 14.561) 14.620 1.693 ( 0.000 33.975 9.971) 35.408 2.163 ( 0.000 1.072 14.671) 14.710 2.980 ( -0.000 8.498 -0.856) 8.541 3.017 ( -0.000 6.178 -3.671) 7.186 6.243 ( 0.000 -18.730 0.401) 18.734 6.780 ( 0.000 2.601 2.822) 3.838 7.633 ( -0.000 40.016 -9.390) 41.103 8.458 ( -0.000 -8.993 -3.599) 9.687 8.562 ( -0.000 -2.282 -2.471) 3.364 12.763 ( 0.000 -3.527 8.161) 8.891 13.359 ( -0.000 9.745 -11.029) 14.717 ======================= Grid point 1401 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 21.037 4.301 8.985) 23.276 2.008 ( -0.783 14.267 16.443) 21.784 2.350 ( 10.718 17.624 -1.061) 20.655 3.051 ( -0.193 14.848 1.354) 14.911 3.213 ( 11.304 9.790 -2.907) 15.234 6.034 ( -6.234 -8.217 0.346) 10.320 6.852 ( 2.944 4.435 2.621) 5.934 8.042 ( 9.247 5.702 -0.410) 10.872 8.377 ( 1.571 6.503 -11.297) 13.129 8.511 ( -1.294 0.118 -2.529) 2.843 12.747 ( -0.688 -5.188 11.644) 12.767 13.414 ( 0.771 7.210 -17.838) 19.255 ======================= Grid point 1402 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 12.910 1.974 1.040) 13.102 2.177 ( 2.412 14.482 7.145) 16.328 2.734 ( 17.609 5.285 0.182) 18.386 3.304 ( 3.582 25.146 4.262) 25.755 3.602 ( 21.670 16.000 -3.663) 27.185 5.886 ( -5.007 -2.896 0.690) 5.825 6.983 ( 4.339 7.093 2.579) 8.706 8.006 ( -0.858 -10.310 0.080) 10.346 8.374 ( -1.409 -3.775 -5.168) 6.553 8.655 ( 5.062 11.457 -7.950) 14.835 12.710 ( -3.165 -9.910 15.874) 18.980 13.383 ( -1.220 6.232 -21.278) 22.205 ======================= Grid point 1403 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 6.127 -3.817 -3.584) 8.060 2.421 ( 1.669 24.082 -6.375) 24.967 3.073 ( 19.545 -2.179 6.803) 20.810 3.643 ( 6.915 21.214 3.914) 22.653 4.186 ( 24.620 18.967 -4.516) 31.405 5.808 ( -3.035 0.135 2.692) 4.059 7.146 ( 3.323 9.226 2.952) 10.241 7.915 ( 1.277 -7.105 -4.224) 8.364 8.299 ( 0.502 -4.382 -5.492) 7.044 8.699 ( -4.070 2.595 -3.567) 6.002 12.457 ( -16.230 -17.833 7.346) 25.207 13.444 ( 7.105 8.677 -9.155) 14.477 ======================= Grid point 1404 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 3.904 -4.966 -10.394) 12.163 2.641 ( 0.935 22.610 -10.547) 24.966 3.410 ( 15.850 2.099 8.755) 18.228 3.979 ( 8.656 15.932 3.679) 18.501 4.696 ( 17.925 11.895 -5.952) 22.321 5.817 ( 0.601 3.309 5.568) 6.505 7.277 ( -0.827 9.349 3.777) 10.117 7.848 ( -0.152 -5.345 -9.347) 10.768 8.279 ( 5.237 -4.751 -5.145) 8.744 8.643 ( -3.309 4.907 1.890) 6.213 11.914 ( -24.814 -20.000 0.246) 31.872 13.672 ( 11.214 5.761 0.339) 12.612 ======================= Grid point 1405 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 2.089 -4.869 -17.264) 18.059 2.823 ( 0.829 18.648 -9.389) 20.895 3.709 ( 9.985 6.554 7.947) 14.346 4.266 ( 7.597 10.670 2.890) 13.413 4.985 ( 9.576 4.740 -5.173) 11.871 5.931 ( 4.378 5.243 6.163) 9.200 7.332 ( -4.779 9.357 4.661) 11.494 7.729 ( -3.348 -3.324 -7.572) 8.921 8.360 ( 10.867 -4.269 -3.311) 12.136 8.729 ( 2.615 10.231 1.661) 10.690 11.270 ( -26.238 -19.021 -1.149) 32.428 13.901 ( 10.077 1.401 2.012) 10.371 ======================= Grid point 1417 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 10.684 13.477) 17.198 2.079 ( 0.000 -7.607 16.231) 17.925 2.594 ( -0.000 40.251 -6.566) 40.783 3.137 ( -0.000 8.790 -4.081) 9.691 3.274 ( -0.000 19.964 2.498) 20.119 6.005 ( 0.000 -6.926 -0.603) 6.952 6.881 ( 0.000 5.582 2.450) 6.096 7.993 ( 0.000 -6.327 3.955) 7.462 8.453 ( -0.000 19.048 -11.965) 22.494 8.477 ( -0.000 -4.234 -2.407) 4.870 12.730 ( 0.000 -8.287 13.114) 15.512 13.426 ( -0.000 8.786 -19.499) 21.387 ======================= Grid point 1418 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 11.782 9.770 7.913) 17.230 2.121 ( 10.042 -4.926 12.496) 16.771 2.835 ( -8.063 26.285 -6.088) 28.160 3.411 ( 16.916 15.108 -3.504) 22.950 3.526 ( 2.598 27.760 2.196) 27.968 5.924 ( -2.650 -2.953 -0.995) 4.091 6.992 ( 4.242 7.723 2.147) 9.069 7.910 ( -0.311 -11.423 4.221) 12.181 8.366 ( -4.381 -3.190 -4.624) 7.124 8.658 ( 5.206 11.540 -7.330) 14.629 12.679 ( -0.508 -13.746 15.703) 20.876 13.418 ( -2.194 9.732 -21.215) 23.443 ======================= Grid point 1419 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 2.968 -1.267 0.526) 3.270 2.502 ( 20.621 11.990 9.193) 25.563 2.907 ( -2.621 15.161 -5.162) 16.228 3.748 ( 7.233 16.655 0.988) 18.185 4.017 ( 17.310 26.898 -2.390) 32.076 5.865 ( -2.225 0.416 0.137) 2.267 7.185 ( 5.926 11.087 1.937) 12.720 7.818 ( 0.046 -8.287 2.041) 8.535 8.239 ( -2.880 -5.365 -5.652) 8.308 8.752 ( 0.022 2.809 -3.713) 4.656 12.497 ( -7.659 -21.570 10.542) 25.200 13.435 ( 0.859 11.625 -13.178) 17.593 ======================= Grid point 1420 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 1.705 -4.189 -4.209) 6.178 2.893 ( -3.167 27.584 -8.120) 28.928 3.133 ( 21.399 2.659 8.692) 23.250 4.038 ( 6.445 16.945 1.668) 18.206 4.517 ( 15.907 16.528 -3.493) 23.203 5.869 ( -0.107 3.729 2.598) 4.546 7.393 ( 2.599 11.905 1.706) 12.305 7.770 ( 0.766 -3.174 -0.481) 3.300 8.140 ( 1.541 -6.001 -6.775) 9.181 8.731 ( -2.240 1.691 0.047) 2.807 12.069 ( -17.602 -23.951 2.055) 29.795 13.575 ( 6.527 7.566 -2.175) 10.226 ======================= Grid point 1421 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.564 -4.547 -9.096) 10.184 3.029 ( -3.720 22.096 -9.229) 24.234 3.581 ( 17.479 9.220 8.553) 21.533 4.301 ( 4.746 14.616 1.321) 15.424 4.845 ( 10.745 6.663 -3.167) 13.034 5.953 ( 2.366 5.796 4.519) 7.721 7.484 ( -1.008 4.506 -0.226) 4.623 7.774 ( -3.332 6.914 1.702) 7.862 8.151 ( 7.609 -2.378 -6.825) 10.495 8.765 ( 2.617 5.145 1.619) 5.995 11.483 ( -22.642 -22.631 -1.393) 32.043 13.752 ( 8.409 1.046 1.974) 8.701 ======================= Grid point 1435 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.000 15.765 12.226) 19.950 1.988 ( 0.000 -8.933 8.541) 12.360 3.269 ( -0.000 29.790 -3.522) 29.997 3.296 ( -0.000 10.440 -4.766) 11.476 3.792 ( -0.000 30.049 0.896) 30.063 5.913 ( -0.000 -1.812 -2.890) 3.411 7.031 ( 0.000 7.634 1.595) 7.799 7.830 ( 0.000 -9.630 6.852) 11.819 8.374 ( -0.000 -4.011 -1.885) 4.432 8.671 ( -0.000 7.248 -7.772) 10.627 12.581 ( 0.000 -19.136 15.144) 24.404 13.472 ( -0.000 12.544 -20.000) 23.609 ======================= Grid point 1436 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -2.946 0.098 5.833) 6.536 2.216 ( 22.411 7.619 11.590) 26.356 3.225 ( -11.057 18.407 -5.998) 22.295 3.703 ( 13.159 16.525 -2.006) 21.219 4.134 ( 4.559 29.984 -0.033) 30.328 5.885 ( -0.438 0.372 -3.401) 3.450 7.173 ( 6.555 8.653 0.721) 10.879 7.769 ( -0.728 -6.599 7.198) 9.792 8.267 ( -6.331 -3.165 -2.453) 7.491 8.721 ( 3.154 0.529 -4.989) 5.926 12.393 ( -2.867 -25.307 11.367) 27.890 13.522 ( -1.456 13.890 -14.348) 20.023 ======================= Grid point 1437 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -1.581 -3.187 2.906) 4.594 2.785 ( 26.391 9.232 10.501) 29.866 3.231 ( -7.725 21.196 -8.084) 23.964 4.050 ( 10.563 14.281 -0.514) 17.771 4.500 ( 7.047 21.463 -0.426) 22.594 5.897 ( 1.196 3.238 -2.170) 4.077 7.402 ( 7.960 8.150 -0.093) 11.393 7.746 ( 1.588 -0.805 4.014) 4.391 8.109 ( -6.366 -3.424 -1.587) 7.400 8.744 ( 1.268 -0.121 -2.178) 2.523 12.052 ( -9.367 -28.241 4.810) 30.140 13.596 ( 0.144 10.761 -5.752) 12.203 ======================= Grid point 1438 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -1.820 -3.151 -0.000) 3.639 3.220 ( 5.024 8.702 -0.000) 10.049 3.428 ( 12.984 22.489 -0.000) 25.968 4.349 ( 7.984 13.829 -0.000) 15.968 4.768 ( 5.893 10.206 -0.000) 11.785 5.974 ( 3.053 5.288 -0.000) 6.106 7.493 ( -0.649 -1.124 -0.000) 1.298 7.922 ( 8.415 14.576 -0.000) 16.831 8.005 ( -1.219 -2.111 0.000) 2.438 8.768 ( 1.360 2.356 -0.000) 2.720 11.567 ( -15.643 -27.095 -0.000) 31.286 13.683 ( 2.330 4.035 -0.000) 4.659 ======================= Grid point 1453 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.000 -6.509 9.468) 11.489 2.126 ( 0.000 16.562 11.051) 19.910 3.470 ( -0.000 10.909 -5.720) 12.318 3.740 ( -0.000 21.195 -2.649) 21.360 4.388 ( -0.000 27.241 0.824) 27.253 5.874 ( -0.000 1.152 -5.788) 5.901 7.182 ( -0.000 6.308 -0.331) 6.317 7.755 ( 0.000 -4.867 10.283) 11.376 8.318 ( -0.000 0.026 -0.148) 0.150 8.653 ( -0.000 -1.798 -5.767) 6.041 12.187 ( 0.000 -29.071 9.286) 30.518 13.630 ( -0.000 14.598 -11.714) 18.717 ======================= Grid point 1454 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -4.479 -3.009 10.050) 11.407 2.521 ( 19.649 12.437 10.605) 25.558 3.500 ( -5.197 14.795 -7.138) 17.230 4.011 ( 8.633 15.486 -2.118) 17.856 4.651 ( 1.536 20.816 1.941) 20.963 5.884 ( 1.622 3.180 -6.014) 6.994 7.309 ( 8.487 4.822 -1.872) 9.939 7.742 ( -0.835 -3.426 9.049) 9.712 8.243 ( -8.551 1.992 1.224) 8.865 8.676 ( 4.944 0.278 -3.879) 6.290 11.884 ( -3.721 -31.369 5.358) 32.040 13.713 ( -2.102 12.612 -6.708) 14.439 ======================= Grid point 1472 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 0.000 -2.793 15.804) 16.048 2.510 ( 0.000 13.873 9.749) 16.956 3.634 ( -0.000 10.120 -6.765) 12.173 4.085 ( -0.000 16.018 -3.262) 16.347 4.839 ( 0.000 16.313 3.796) 16.749 5.880 ( -0.000 4.701 -7.182) 8.584 7.247 ( -0.000 1.286 -3.209) 3.457 7.753 ( 0.000 -4.528 10.945) 11.845 8.396 ( 0.000 6.767 2.790) 7.320 8.597 ( -0.000 1.904 -4.971) 5.323 11.613 ( 0.000 -32.774 3.649) 32.977 13.838 ( -0.000 12.106 -4.841) 13.038 ======================= Grid point 1663 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.000 -0.000 9.992) 9.992 1.229 ( 0.000 -0.000 9.992) 9.992 2.253 ( 0.000 -0.000 19.556) 19.556 2.915 ( -0.000 0.000 -2.872) 2.872 2.915 ( -0.000 0.000 -2.872) 2.872 6.766 ( 0.000 -0.000 2.389) 2.389 6.766 ( 0.000 -0.000 2.389) 2.389 6.803 ( -0.000 0.000 -10.670) 10.670 8.573 ( -0.000 0.000 -1.965) 1.965 8.573 ( -0.000 0.000 -1.965) 1.965 12.818 ( 0.000 -0.000 6.302) 6.302 13.234 ( -0.000 0.000 -4.393) 4.393 ======================= Grid point 1664 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 10.620 6.132 1.915) 12.412 1.528 ( 22.985 13.270 12.754) 29.446 2.310 ( 1.338 0.773 12.495) 12.590 2.900 ( 1.579 0.912 -0.224) 1.837 3.047 ( 9.846 5.684 -3.008) 11.760 6.234 ( -16.401 -9.469 -0.441) 18.943 6.804 ( 2.496 1.441 2.011) 3.514 7.582 ( 36.904 21.307 -6.769) 43.148 8.447 ( -9.136 -5.275 -3.071) 10.987 8.531 ( -2.645 -1.527 -1.436) 3.375 12.830 ( -0.826 -0.477 7.722) 7.781 13.272 ( 3.548 2.049 -9.193) 10.065 ======================= Grid point 1665 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 12.803 7.392 -6.139) 16.008 1.985 ( 6.217 3.589 13.377) 15.181 2.596 ( 24.404 14.090 2.608) 28.300 2.987 ( 5.424 3.132 3.510) 7.180 3.341 ( 17.215 9.939 -2.768) 20.070 5.970 ( -7.945 -4.587 0.725) 9.203 6.895 ( 4.778 2.759 1.740) 5.785 8.157 ( -3.543 -2.046 1.785) 4.464 8.331 ( 18.184 10.498 -11.917) 24.143 8.449 ( -3.889 -2.245 -0.984) 4.597 12.860 ( -0.517 -0.299 14.187) 14.199 13.253 ( -0.715 -0.413 -17.951) 17.970 ======================= Grid point 1666 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 13.777 7.954 -11.126) 19.413 2.037 ( -1.312 -0.757 2.878) 3.252 3.165 ( 8.235 4.755 6.390) 11.457 3.214 ( 24.333 14.049 3.360) 28.298 3.830 ( 26.007 15.015 -3.210) 30.201 5.843 ( -3.927 -2.267 2.575) 5.215 7.029 ( 6.099 3.521 1.742) 7.255 7.995 ( -5.127 -2.960 -6.032) 8.452 8.362 ( -3.023 -1.746 -0.876) 3.599 8.616 ( 5.316 3.069 -4.193) 7.434 12.754 ( -15.985 -9.229 7.030) 19.751 13.262 ( 9.591 5.537 -8.734) 14.104 ======================= Grid point 1667 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -1.936 -1.118 -7.240) 7.577 2.256 ( 13.568 7.833 -11.892) 19.669 3.396 ( 9.367 5.408 7.292) 13.044 3.705 ( 18.158 10.484 3.752) 21.301 4.415 ( 24.033 13.875 -4.014) 28.040 5.809 ( -0.196 -0.113 5.450) 5.455 7.167 ( 4.793 2.767 2.283) 5.987 7.879 ( -2.993 -1.728 -11.165) 11.688 8.326 ( 0.771 0.445 -1.514) 1.757 8.609 ( -2.872 -1.658 1.652) 3.705 12.258 ( -25.937 -14.975 -2.632) 30.065 13.541 ( 13.369 7.719 3.369) 15.800 ======================= Grid point 1681 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.000 2.532 11.869) 12.136 1.760 ( -0.000 36.573 1.928) 36.624 2.307 ( 0.000 -6.771 10.399) 12.410 2.975 ( -0.000 5.861 -3.716) 6.940 2.983 ( -0.000 10.294 1.036) 10.346 6.238 ( 0.000 -17.900 -0.966) 17.926 6.807 ( 0.000 2.719 1.888) 3.311 7.553 ( -0.000 41.126 -4.821) 41.408 8.426 ( -0.000 -11.231 -2.063) 11.419 8.538 ( -0.000 -2.485 -1.791) 3.063 12.852 ( 0.000 -1.290 7.277) 7.390 13.248 ( -0.000 4.049 -8.504) 9.419 ======================= Grid point 1682 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 14.386 5.933 5.665) 16.561 2.156 ( -1.670 25.792 9.214) 27.439 2.330 ( 12.300 1.650 -1.928) 12.559 3.062 ( 2.712 14.546 0.437) 14.803 3.190 ( 9.642 10.774 -1.147) 14.504 6.033 ( -5.723 -8.337 -0.235) 10.115 6.875 ( 2.879 4.638 1.451) 5.649 8.053 ( 13.326 15.714 2.108) 20.711 8.264 ( -3.312 -1.802 -8.118) 8.951 8.489 ( -1.335 -1.098 -1.289) 2.156 12.881 ( 1.436 -1.716 11.805) 12.016 13.230 ( -1.849 1.947 -14.609) 14.853 ======================= Grid point 1683 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 9.101 4.727 -2.917) 10.662 2.228 ( -5.270 13.322 2.003) 14.466 2.748 ( 23.246 3.294 2.177) 23.579 3.344 ( 4.331 24.612 2.925) 25.160 3.566 ( 21.437 15.546 -2.416) 26.591 5.897 ( -3.925 -3.097 1.141) 5.128 7.005 ( 4.470 7.395 1.120) 8.713 7.999 ( -4.480 -9.341 -1.733) 10.504 8.325 ( 0.467 -4.548 -2.662) 5.291 8.598 ( 5.141 11.768 -2.274) 13.042 12.875 ( -6.687 -12.061 10.832) 17.536 13.179 ( 3.226 8.349 -12.506) 15.379 ======================= Grid point 1684 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 3.626 -4.145 -4.953) 7.407 2.332 ( -2.656 24.037 -9.082) 25.833 3.152 ( 21.172 -1.468 6.869) 22.307 3.679 ( 7.430 20.491 2.482) 21.938 4.146 ( 23.846 18.635 -2.307) 30.351 5.845 ( -1.331 0.101 3.602) 3.842 7.170 ( 3.787 9.687 1.215) 10.472 7.851 ( -2.552 -5.235 -6.837) 8.981 8.259 ( 0.964 -6.846 -1.348) 7.044 8.686 ( -2.440 3.534 1.137) 4.442 12.481 ( -20.046 -17.529 -3.354) 26.839 13.413 ( 11.982 8.569 3.971) 15.256 ======================= Grid point 1699 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 10.756 12.441) 16.446 2.186 ( 0.000 -8.084 1.306) 8.188 2.553 ( -0.000 39.387 0.595) 39.391 3.087 ( -0.000 8.561 -4.678) 9.756 3.299 ( -0.000 19.942 1.773) 20.021 5.994 ( -0.000 -7.516 -1.279) 7.624 6.902 ( 0.000 5.647 1.172) 5.767 8.057 ( 0.000 -5.664 7.293) 9.234 8.333 ( -0.000 19.928 -9.027) 21.877 8.455 ( -0.000 -4.384 -1.463) 4.622 12.885 ( 0.000 -4.769 14.215) 14.994 13.219 ( -0.000 3.851 -17.076) 17.505 ======================= Grid point 1700 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 5.811 9.348 6.469) 12.767 2.217 ( 12.163 -3.155 4.397) 13.313 2.780 ( -9.016 25.221 -3.627) 27.028 3.375 ( 18.071 15.921 -2.855) 24.253 3.545 ( 2.478 26.457 1.528) 26.617 5.911 ( -1.709 -3.873 -1.321) 4.435 7.008 ( 4.259 7.716 0.566) 8.832 7.962 ( -2.518 -10.608 4.498) 11.795 8.324 ( -5.112 -1.836 -2.342) 5.915 8.601 ( 6.686 10.877 -2.696) 13.049 12.850 ( -1.740 -15.354 13.149) 20.290 13.205 ( -0.327 11.039 -15.058) 18.674 ======================= Grid point 1701 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -0.184 -0.318 -0.000) 0.368 2.558 ( 10.682 18.503 -0.000) 21.365 2.875 ( 5.390 9.335 -0.000) 10.779 3.753 ( 8.999 15.587 -0.000) 17.998 4.002 ( 15.812 27.386 -0.000) 31.623 5.866 ( -0.317 -0.550 -0.000) 0.635 7.196 ( 6.308 10.925 -0.000) 12.615 7.832 ( -3.489 -6.043 -0.000) 6.978 8.204 ( -3.391 -5.873 -0.000) 6.782 8.731 ( 1.454 2.518 -0.000) 2.907 12.563 ( -12.327 -21.352 -0.000) 24.655 13.355 ( 6.562 11.366 0.000) 13.124 ======================= Grid point 1717 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.000 15.282 12.382) 19.669 2.045 ( 0.000 -6.348 1.786) 6.595 3.236 ( -0.000 10.253 -5.893) 11.825 3.241 ( -0.000 29.274 -1.876) 29.334 3.804 ( -0.000 29.561 1.450) 29.596 5.877 ( -0.000 -3.173 -3.258) 4.547 7.040 ( -0.000 7.414 -0.091) 7.414 7.915 ( 0.000 -8.190 7.784) 11.299 8.360 ( -0.000 -3.820 -0.542) 3.858 8.609 ( -0.000 7.234 -2.758) 7.742 12.732 ( 0.000 -21.307 10.021) 23.546 13.283 ( -0.000 14.648 -11.644) 18.713 ======================= Grid point 1947 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 -0.000 5.274) 5.274 1.316 ( 0.000 -0.000 5.274) 5.274 2.425 ( 0.000 -0.000 10.462) 10.462 2.889 ( -0.000 0.000 -1.674) 1.674 2.889 ( -0.000 0.000 -1.674) 1.674 6.707 ( -0.000 0.000 -6.058) 6.058 6.787 ( 0.000 -0.000 1.320) 1.320 6.787 ( 0.000 -0.000 1.320) 1.320 8.556 ( -0.000 0.000 -1.090) 1.090 8.556 ( -0.000 0.000 -1.090) 1.090 12.880 ( 0.000 -0.000 4.287) 4.287 13.189 ( -0.000 0.000 -3.271) 3.271 ======================= Grid point 1948 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 7.258 4.191 -3.350) 9.026 1.657 ( 25.520 14.734 9.737) 31.035 2.401 ( -2.662 -1.537 3.449) 4.620 2.908 ( 3.027 1.748 1.651) 3.866 3.019 ( 9.919 5.726 -2.030) 11.631 6.227 ( -15.539 -8.971 -0.415) 17.947 6.820 ( 2.486 1.435 0.786) 2.976 7.530 ( 36.629 21.148 -2.626) 42.377 8.420 ( -10.312 -5.954 -1.582) 12.012 8.521 ( -2.516 -1.453 -0.379) 2.930 12.904 ( 1.296 0.748 4.706) 4.938 13.187 ( -0.165 -0.095 -5.108) 5.112 ======================= Grid point 1949 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 10.544 6.088 -9.994) 15.752 2.123 ( 1.023 0.591 10.300) 10.368 2.588 ( 27.015 15.597 -3.421) 31.382 3.034 ( 6.705 3.871 4.589) 9.000 3.317 ( 17.081 9.862 -1.664) 19.794 5.980 ( -7.220 -4.169 1.093) 8.409 6.907 ( 4.871 2.812 0.328) 5.634 8.145 ( -9.853 -5.689 -6.383) 13.046 8.261 ( 23.457 13.543 1.990) 27.159 8.445 ( -3.876 -2.238 0.245) 4.482 13.014 ( 7.078 4.087 6.837) 10.656 13.076 ( -8.450 -4.878 -7.198) 12.125 ======================= Grid point 1965 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 4.981 8.088) 9.498 1.742 ( -0.000 33.619 -4.886) 33.972 2.393 ( 0.000 -6.794 4.519) 8.160 2.936 ( -0.000 4.951 -3.059) 5.820 2.999 ( 0.000 11.301 1.626) 11.417 6.228 ( 0.000 -17.526 -0.587) 17.535 6.821 ( 0.000 2.815 0.604) 2.879 7.521 ( -0.000 41.805 -0.980) 41.816 8.412 ( 0.000 -12.187 -0.246) 12.189 8.523 ( -0.000 -2.706 -0.774) 2.815 12.915 ( 0.000 1.528 3.052) 3.413 13.176 ( -0.000 -0.337 -3.381) 3.398 ======================= Grid point 1966 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 5.839 10.113 -0.000) 11.677 2.209 ( 16.412 28.427 -0.000) 32.825 2.317 ( -2.371 -4.106 -0.000) 4.742 3.063 ( 7.038 12.190 -0.000) 14.076 3.184 ( 7.121 12.334 -0.000) 14.242 6.032 ( -4.975 -8.616 -0.000) 9.949 6.884 ( 2.754 4.770 -0.000) 5.508 8.072 ( 15.741 27.265 -0.000) 31.483 8.211 ( -7.147 -12.378 0.000) 14.293 8.482 ( -0.911 -1.578 -0.000) 1.822 12.979 ( 3.080 5.335 -0.000) 6.160 13.116 ( -3.396 -5.882 0.000) 6.792 ======================= Grid point 2237 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 3.36e-05 3.36e-05 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.000 -0.000 0.000) 0.000 1.346 ( 0.000 -0.000 0.000) 0.000 2.485 ( 0.000 -0.000 0.000) 0.000 2.879 ( 0.000 -0.000 0.000) 0.000 2.879 ( 0.000 -0.000 0.000) 0.000 6.672 ( 0.000 -0.000 0.000) 0.000 6.795 ( 0.000 -0.000 0.000) 0.000 6.795 ( 0.000 -0.000 0.000) 0.000 8.549 ( 0.000 -0.000 0.000) 0.000 8.549 ( 0.000 -0.000 0.000) 0.000 12.906 ( 0.000 -0.000 0.000) 0.000 13.168 ( 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 10.0 991.685 991.685 1430.522 -0.000 0.000 -0.000 3/49152 20.0 228.162 228.162 204.159 -0.000 0.000 -0.000 3/49152 30.0 85.941 85.941 67.269 -0.000 0.000 -0.000 3/49152 40.0 47.141 47.141 33.883 -0.000 0.000 -0.000 3/49152 50.0 31.662 31.662 21.267 -0.000 0.000 -0.000 3/49152 60.0 23.721 23.721 15.134 -0.000 0.000 -0.000 3/49152 70.0 18.959 18.959 11.644 -0.000 0.000 -0.000 3/49152 80.0 15.806 15.806 9.440 -0.000 0.000 -0.000 3/49152 90.0 13.575 13.575 7.940 -0.000 0.000 -0.000 3/49152 100.0 11.918 11.918 6.863 -0.000 0.000 -0.000 3/49152 110.0 10.640 10.640 6.054 -0.000 0.000 -0.000 3/49152 120.0 9.625 9.625 5.428 -0.000 0.000 -0.000 3/49152 130.0 8.797 8.797 4.927 -0.000 0.000 -0.000 3/49152 140.0 8.110 8.110 4.519 -0.000 0.000 -0.000 3/49152 150.0 7.528 7.528 4.179 -0.000 0.000 -0.000 3/49152 160.0 7.030 7.030 3.891 -0.000 0.000 -0.000 3/49152 170.0 6.596 6.596 3.643 -0.000 0.000 -0.000 3/49152 180.0 6.216 6.216 3.428 -0.000 0.000 -0.000 3/49152 190.0 5.879 5.879 3.239 -0.000 0.000 -0.000 3/49152 200.0 5.578 5.578 3.071 -0.000 0.000 -0.000 3/49152 210.0 5.308 5.308 2.921 -0.000 0.000 -0.000 3/49152 220.0 5.063 5.063 2.786 -0.000 0.000 -0.000 3/49152 230.0 4.841 4.841 2.663 -0.000 0.000 -0.000 3/49152 240.0 4.638 4.638 2.552 -0.000 0.000 -0.000 3/49152 250.0 4.451 4.451 2.450 -0.000 0.000 -0.000 3/49152 260.0 4.279 4.279 2.356 -0.000 0.000 -0.000 3/49152 270.0 4.121 4.121 2.269 -0.000 0.000 -0.000 3/49152 280.0 3.974 3.974 2.188 -0.000 0.000 -0.000 3/49152 290.0 3.837 3.837 2.114 -0.000 0.000 -0.000 3/49152 300.0 3.709 3.709 2.044 -0.000 0.000 -0.000 3/49152 310.0 3.590 3.590 1.979 -0.000 0.000 -0.000 3/49152 320.0 3.478 3.478 1.918 -0.000 0.000 -0.000 3/49152 330.0 3.373 3.373 1.861 -0.000 0.000 -0.000 3/49152 340.0 3.274 3.274 1.807 -0.000 0.000 -0.000 3/49152 350.0 3.181 3.181 1.756 -0.000 0.000 -0.000 3/49152 360.0 3.093 3.093 1.708 -0.000 0.000 -0.000 3/49152 370.0 3.009 3.009 1.662 -0.000 0.000 -0.000 3/49152 380.0 2.930 2.930 1.619 -0.000 0.000 -0.000 3/49152 390.0 2.856 2.856 1.578 -0.000 0.000 -0.000 3/49152 400.0 2.785 2.785 1.539 -0.000 0.000 -0.000 3/49152 410.0 2.717 2.717 1.502 -0.000 0.000 -0.000 3/49152 420.0 2.653 2.653 1.467 -0.000 0.000 -0.000 3/49152 430.0 2.591 2.591 1.433 -0.000 0.000 -0.000 3/49152 440.0 2.532 2.532 1.401 -0.000 0.000 -0.000 3/49152 450.0 2.476 2.476 1.371 -0.000 0.000 -0.000 3/49152 460.0 2.423 2.423 1.341 -0.000 0.000 -0.000 3/49152 470.0 2.372 2.372 1.313 -0.000 0.000 -0.000 3/49152 480.0 2.322 2.322 1.286 -0.000 0.000 -0.000 3/49152 490.0 2.275 2.275 1.260 -0.000 0.000 -0.000 3/49152 500.0 2.230 2.230 1.235 -0.000 0.000 -0.000 3/49152 510.0 2.186 2.186 1.211 -0.000 0.000 -0.000 3/49152 520.0 2.144 2.144 1.188 -0.000 0.000 -0.000 3/49152 530.0 2.104 2.104 1.166 -0.000 0.000 -0.000 3/49152 540.0 2.065 2.065 1.145 -0.000 0.000 -0.000 3/49152 550.0 2.028 2.028 1.124 -0.000 0.000 -0.000 3/49152 560.0 1.992 1.992 1.104 -0.000 0.000 -0.000 3/49152 570.0 1.957 1.957 1.085 -0.000 0.000 -0.000 3/49152 580.0 1.923 1.923 1.067 -0.000 0.000 -0.000 3/49152 590.0 1.891 1.891 1.049 -0.000 0.000 -0.000 3/49152 600.0 1.859 1.859 1.031 -0.000 0.000 -0.000 3/49152 610.0 1.829 1.829 1.015 -0.000 0.000 -0.000 3/49152 620.0 1.800 1.800 0.998 -0.000 0.000 -0.000 3/49152 630.0 1.771 1.771 0.983 -0.000 0.000 -0.000 3/49152 640.0 1.744 1.744 0.968 -0.000 0.000 -0.000 3/49152 650.0 1.717 1.717 0.953 -0.000 0.000 -0.000 3/49152 660.0 1.691 1.691 0.939 -0.000 0.000 -0.000 3/49152 670.0 1.666 1.666 0.925 -0.000 0.000 -0.000 3/49152 680.0 1.641 1.641 0.911 -0.000 0.000 -0.000 3/49152 690.0 1.618 1.618 0.898 -0.000 0.000 -0.000 3/49152 700.0 1.594 1.594 0.885 -0.000 0.000 -0.000 3/49152 710.0 1.572 1.572 0.873 -0.000 0.000 -0.000 3/49152 720.0 1.550 1.550 0.861 -0.000 0.000 -0.000 3/49152 730.0 1.529 1.529 0.849 -0.000 0.000 -0.000 3/49152 740.0 1.508 1.508 0.838 -0.000 0.000 -0.000 3/49152 750.0 1.488 1.488 0.827 -0.000 0.000 -0.000 3/49152 760.0 1.469 1.469 0.816 -0.000 0.000 -0.000 3/49152 770.0 1.450 1.450 0.805 -0.000 0.000 -0.000 3/49152 780.0 1.431 1.431 0.795 -0.000 0.000 -0.000 3/49152 790.0 1.413 1.413 0.785 -0.000 0.000 -0.000 3/49152 800.0 1.396 1.396 0.775 -0.000 0.000 -0.000 3/49152 810.0 1.378 1.378 0.766 -0.000 0.000 -0.000 3/49152 820.0 1.362 1.362 0.757 -0.000 0.000 -0.000 3/49152 830.0 1.345 1.345 0.748 -0.000 0.000 -0.000 3/49152 840.0 1.329 1.329 0.739 -0.000 0.000 -0.000 3/49152 850.0 1.314 1.314 0.730 -0.000 0.000 -0.000 3/49152 860.0 1.298 1.298 0.722 -0.000 0.000 -0.000 3/49152 870.0 1.284 1.284 0.713 -0.000 0.000 -0.000 3/49152 880.0 1.269 1.269 0.705 -0.000 0.000 -0.000 3/49152 890.0 1.255 1.255 0.697 -0.000 0.000 -0.000 3/49152 900.0 1.241 1.241 0.690 -0.000 0.000 -0.000 3/49152 910.0 1.227 1.227 0.682 -0.000 0.000 -0.000 3/49152 920.0 1.214 1.214 0.675 -0.000 0.000 -0.000 3/49152 930.0 1.201 1.201 0.668 -0.000 0.000 -0.000 3/49152 940.0 1.188 1.188 0.660 -0.000 0.000 -0.000 3/49152 950.0 1.176 1.176 0.654 -0.000 0.000 -0.000 3/49152 960.0 1.163 1.163 0.647 -0.000 0.000 -0.000 3/49152 970.0 1.151 1.151 0.640 -0.000 0.000 -0.000 3/49152 980.0 1.140 1.140 0.634 -0.000 0.000 -0.000 3/49152 990.0 1.128 1.128 0.627 -0.000 0.000 -0.000 3/49152 1000.0 1.117 1.117 0.621 -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 23:32:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|