----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:22:19]------------------------- 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: [2 2 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: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.975062098851721 1.140302634438266 10.245692299999989 b -1.975062098851717 1.140302634438266 10.245692299999989 c 0.000000000000002 -2.280605268876535 10.245692299999989 Atomic positions (fractional): *1 O 0.69503274576211 0.69503274576211 0.69503274576212 15.999 2 O 0.30496725423789 0.30496725423789 0.30496725423789 15.999 *3 P 0.11418912271864 0.11418912271864 0.11418912271864 30.974 4 P 0.88581087728136 0.88581087728136 0.88581087728136 30.974 *5 Zn 0.19594294929722 0.19594294929722 0.19594294929722 65.380 6 Zn 0.80405705070278 0.80405705070278 0.80405705070278 65.380 *7 Nd 0.61846226243077 0.61846226243078 0.61846226243077 144.242 8 Nd 0.38153773756922 0.38153773756923 0.38153773756922 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.950124197703438 0.000000000000000 0.000000000000000 b -1.975062098851719 3.420907903314801 0.000000000000000 c 0.000000000000000 0.000000000000000 30.737076899999998 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.02836607909545 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.30496725423789 15.999 > 2 3 O 0.33333333333333 0.66666666666667 0.36169941242878 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.63830058757122 15.999 > 2 5 O 0.00000000000000 0.00000000000000 0.69503274576212 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.97163392090455 15.999 > 2 *7 P 0.00000000000000 0.00000000000000 0.11418912271864 30.974 > 3 8 P 0.66666666666667 0.33333333333333 0.21914421061469 30.974 > 4 9 P 0.66666666666667 0.33333333333333 0.44752245605197 30.974 > 3 10 P 0.33333333333333 0.66666666666667 0.55247754394802 30.974 > 4 11 P 0.33333333333333 0.66666666666667 0.78085578938531 30.974 > 3 12 P 0.00000000000000 0.00000000000000 0.88581087728136 30.974 > 4 *13 Zn 0.00000000000000 0.00000000000000 0.19594294929722 65.380 > 5 14 Zn 0.66666666666667 0.33333333333333 0.13739038403611 65.380 > 6 15 Zn 0.66666666666667 0.33333333333333 0.52927628263056 65.380 > 5 16 Zn 0.33333333333333 0.66666666666667 0.47072371736945 65.380 > 6 17 Zn 0.33333333333333 0.66666666666667 0.86260961596389 65.380 > 5 18 Zn 0.00000000000000 0.00000000000000 0.80405705070278 65.380 > 6 *19 Nd 0.33333333333333 0.66666666666667 0.28512892909744 144.242 > 7 20 Nd 0.33333333333333 0.66666666666667 0.04820440423589 144.242 > 8 21 Nd 0.00000000000000 0.00000000000000 0.61846226243077 144.242 > 7 22 Nd 0.00000000000000 0.00000000000000 0.38153773756922 144.242 > 8 23 Nd 0.66666666666667 0.33333333333333 0.95179559576411 144.242 > 7 24 Nd 0.66666666666667 0.33333333333333 0.71487107090256 144.242 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.900248395406876 0.000000000000000 0.000000000000000 b -3.950124197703438 6.841815806629602 0.000000000000000 c 0.000000000000000 0.000000000000000 30.737076899999998 Atomic positions (fractional): *1 O 0.33333333333333 0.16666666666667 0.02836607909545 15.999 > 1 2 O 0.83333333333333 0.16666666666667 0.02836607909545 15.999 > 1 3 O 0.33333333333333 0.66666666666667 0.02836607909545 15.999 > 1 4 O 0.83333333333333 0.66666666666667 0.02836607909545 15.999 > 1 5 O 0.00000000000000 0.00000000000000 0.30496725423789 15.999 > 2 6 O 0.50000000000000 0.00000000000000 0.30496725423789 15.999 > 2 7 O 0.00000000000000 0.50000000000000 0.30496725423789 15.999 > 2 8 O 0.50000000000000 0.50000000000000 0.30496725423789 15.999 > 2 9 O 0.16666666666667 0.33333333333333 0.36169941242878 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.36169941242878 15.999 > 1 11 O 0.16666666666667 0.83333333333333 0.36169941242878 15.999 > 1 12 O 0.66666666666667 0.83333333333333 0.36169941242878 15.999 > 1 13 O 0.33333333333333 0.16666666666667 0.63830058757122 15.999 > 2 14 O 0.83333333333333 0.16666666666667 0.63830058757122 15.999 > 2 15 O 0.33333333333333 0.66666666666667 0.63830058757122 15.999 > 2 16 O 0.83333333333333 0.66666666666667 0.63830058757122 15.999 > 2 17 O 0.00000000000000 0.00000000000000 0.69503274576212 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.69503274576212 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.69503274576212 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.69503274576212 15.999 > 1 21 O 0.16666666666667 0.33333333333333 0.97163392090455 15.999 > 2 22 O 0.66666666666667 0.33333333333333 0.97163392090455 15.999 > 2 23 O 0.16666666666667 0.83333333333333 0.97163392090455 15.999 > 2 24 O 0.66666666666667 0.83333333333333 0.97163392090455 15.999 > 2 *25 P 0.00000000000000 0.00000000000000 0.11418912271864 30.974 > 3 26 P 0.50000000000000 0.00000000000000 0.11418912271864 30.974 > 3 27 P 0.00000000000000 0.50000000000000 0.11418912271864 30.974 > 3 28 P 0.50000000000000 0.50000000000000 0.11418912271864 30.974 > 3 29 P 0.33333333333333 0.16666666666667 0.21914421061469 30.974 > 4 30 P 0.83333333333333 0.16666666666667 0.21914421061469 30.974 > 4 31 P 0.33333333333333 0.66666666666667 0.21914421061469 30.974 > 4 32 P 0.83333333333333 0.66666666666667 0.21914421061469 30.974 > 4 33 P 0.33333333333333 0.16666666666667 0.44752245605197 30.974 > 3 34 P 0.83333333333333 0.16666666666667 0.44752245605197 30.974 > 3 35 P 0.33333333333333 0.66666666666667 0.44752245605197 30.974 > 3 36 P 0.83333333333333 0.66666666666667 0.44752245605197 30.974 > 3 37 P 0.16666666666667 0.33333333333333 0.55247754394802 30.974 > 4 38 P 0.66666666666667 0.33333333333333 0.55247754394802 30.974 > 4 39 P 0.16666666666667 0.83333333333333 0.55247754394802 30.974 > 4 40 P 0.66666666666667 0.83333333333333 0.55247754394802 30.974 > 4 41 P 0.16666666666667 0.33333333333333 0.78085578938531 30.974 > 3 42 P 0.66666666666667 0.33333333333333 0.78085578938531 30.974 > 3 43 P 0.16666666666667 0.83333333333333 0.78085578938531 30.974 > 3 44 P 0.66666666666667 0.83333333333333 0.78085578938531 30.974 > 3 45 P 0.00000000000000 0.00000000000000 0.88581087728136 30.974 > 4 46 P 0.50000000000000 0.00000000000000 0.88581087728136 30.974 > 4 47 P 0.00000000000000 0.50000000000000 0.88581087728136 30.974 > 4 48 P 0.50000000000000 0.50000000000000 0.88581087728136 30.974 > 4 *49 Zn 0.00000000000000 0.00000000000000 0.19594294929722 65.380 > 5 50 Zn 0.50000000000000 0.00000000000000 0.19594294929722 65.380 > 5 51 Zn 0.00000000000000 0.50000000000000 0.19594294929722 65.380 > 5 52 Zn 0.50000000000000 0.50000000000000 0.19594294929722 65.380 > 5 53 Zn 0.33333333333333 0.16666666666667 0.13739038403611 65.380 > 6 54 Zn 0.83333333333333 0.16666666666667 0.13739038403611 65.380 > 6 55 Zn 0.33333333333333 0.66666666666667 0.13739038403611 65.380 > 6 56 Zn 0.83333333333333 0.66666666666667 0.13739038403611 65.380 > 6 57 Zn 0.33333333333333 0.16666666666667 0.52927628263056 65.380 > 5 58 Zn 0.83333333333333 0.16666666666667 0.52927628263056 65.380 > 5 59 Zn 0.33333333333333 0.66666666666667 0.52927628263056 65.380 > 5 60 Zn 0.83333333333333 0.66666666666667 0.52927628263056 65.380 > 5 61 Zn 0.16666666666667 0.33333333333333 0.47072371736945 65.380 > 6 62 Zn 0.66666666666667 0.33333333333333 0.47072371736945 65.380 > 6 63 Zn 0.16666666666667 0.83333333333333 0.47072371736945 65.380 > 6 64 Zn 0.66666666666667 0.83333333333333 0.47072371736945 65.380 > 6 65 Zn 0.16666666666667 0.33333333333333 0.86260961596389 65.380 > 5 66 Zn 0.66666666666667 0.33333333333333 0.86260961596389 65.380 > 5 67 Zn 0.16666666666667 0.83333333333333 0.86260961596389 65.380 > 5 68 Zn 0.66666666666667 0.83333333333333 0.86260961596389 65.380 > 5 69 Zn 0.00000000000000 0.00000000000000 0.80405705070278 65.380 > 6 70 Zn 0.50000000000000 0.00000000000000 0.80405705070278 65.380 > 6 71 Zn 0.00000000000000 0.50000000000000 0.80405705070278 65.380 > 6 72 Zn 0.50000000000000 0.50000000000000 0.80405705070278 65.380 > 6 *73 Nd 0.16666666666667 0.33333333333333 0.28512892909744 144.242 > 7 74 Nd 0.66666666666667 0.33333333333333 0.28512892909744 144.242 > 7 75 Nd 0.16666666666667 0.83333333333333 0.28512892909744 144.242 > 7 76 Nd 0.66666666666667 0.83333333333333 0.28512892909744 144.242 > 7 77 Nd 0.16666666666667 0.33333333333333 0.04820440423589 144.242 > 8 78 Nd 0.66666666666667 0.33333333333333 0.04820440423589 144.242 > 8 79 Nd 0.16666666666667 0.83333333333333 0.04820440423589 144.242 > 8 80 Nd 0.66666666666667 0.83333333333333 0.04820440423589 144.242 > 8 81 Nd 0.00000000000000 0.00000000000000 0.61846226243077 144.242 > 7 82 Nd 0.50000000000000 0.00000000000000 0.61846226243077 144.242 > 7 83 Nd 0.00000000000000 0.50000000000000 0.61846226243077 144.242 > 7 84 Nd 0.50000000000000 0.50000000000000 0.61846226243077 144.242 > 7 85 Nd 0.00000000000000 0.00000000000000 0.38153773756922 144.242 > 8 86 Nd 0.50000000000000 0.00000000000000 0.38153773756922 144.242 > 8 87 Nd 0.00000000000000 0.50000000000000 0.38153773756922 144.242 > 8 88 Nd 0.50000000000000 0.50000000000000 0.38153773756922 144.242 > 8 89 Nd 0.33333333333333 0.16666666666667 0.95179559576411 144.242 > 7 90 Nd 0.83333333333333 0.16666666666667 0.95179559576411 144.242 > 7 91 Nd 0.33333333333333 0.66666666666667 0.95179559576411 144.242 > 7 92 Nd 0.83333333333333 0.66666666666667 0.95179559576411 144.242 > 7 93 Nd 0.33333333333333 0.16666666666667 0.71487107090256 144.242 > 8 94 Nd 0.83333333333333 0.16666666666667 0.71487107090256 144.242 > 8 95 Nd 0.33333333333333 0.66666666666667 0.71487107090256 144.242 > 8 96 Nd 0.83333333333333 0.66666666666667 0.71487107090256 144.242 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4516765 -0.0000000 0.0000000 0.0000000 10.4516765 0.0000000 0.0000000 0.0000000 8.0686985 -------------------------- Born effective charges -------------------------- 1 O -2.8623072 0.0000000 0.0000000 0.0000000 -2.8623072 0.0000000 0.0000000 0.0000000 -4.0363357 2 O -2.8623072 0.0000000 0.0000000 0.0000000 -2.8623072 0.0000000 0.0000000 0.0000000 -4.0363357 3 P -3.1348355 -0.0000000 0.0000000 0.0000000 -3.1348355 0.0000000 0.0000000 0.0000000 -2.5147339 4 P -3.1348355 -0.0000000 0.0000000 0.0000000 -3.1348355 0.0000000 0.0000000 0.0000000 -2.5147339 5 Zn 1.9449453 0.0000000 0.0000000 0.0000000 1.9449453 0.0000000 0.0000000 0.0000000 1.2293029 6 Zn 1.9449453 0.0000000 0.0000000 0.0000000 1.9449453 0.0000000 0.0000000 0.0000000 1.2293029 7 Nd 4.0521974 0.0000000 0.0000000 0.0000000 4.0521974 0.0000000 0.0000000 0.0000000 5.3217667 8 Nd 4.0521974 0.0000000 0.0000000 0.0000000 4.0521974 0.0000000 0.0000000 0.0000000 5.3217667 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 4128/4128 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 376 Number of blocks in projector: 320 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: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (376, 368), data: False |-- (96, 96), data: True |-- (112, 108), data: True |-- (168, 164), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.205 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.212 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4128/4128 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 376 Number of blocks in projector: 320 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: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (376, 368), data: False |-- (96, 96), data: True |-- (112, 108), data: True |-- (168, 164), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:22:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:22:23]------------------------- 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): [2 2 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 1.975062098851721 1.140302634438266 10.245692299999989 b -1.975062098851717 1.140302634438266 10.245692299999989 c 0.000000000000002 -2.280605268876535 10.245692299999989 Atomic positions (fractional): 1 O 0.69503274576211 0.69503274576211 0.69503274576212 15.999 2 O 0.30496725423789 0.30496725423789 0.30496725423789 15.999 3 P 0.11418912271864 0.11418912271864 0.11418912271864 30.974 4 P 0.88581087728136 0.88581087728136 0.88581087728136 30.974 5 Zn 0.19594294929722 0.19594294929722 0.19594294929722 65.380 6 Zn 0.80405705070278 0.80405705070278 0.80405705070278 65.380 7 Nd 0.61846226243077 0.61846226243078 0.61846226243077 144.242 8 Nd 0.38153773756922 0.38153773756923 0.38153773756922 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.900248395406876 0.000000000000000 0.000000000000000 b -3.950124197703438 6.841815806629602 0.000000000000000 c 0.000000000000000 0.000000000000000 30.737076899999998 Atomic positions (fractional): 1 O 0.33333333333333 0.16666666666667 0.02836607909545 15.999 > 1 2 O 0.83333333333333 0.16666666666667 0.02836607909545 15.999 > 1 3 O 0.33333333333333 0.66666666666667 0.02836607909545 15.999 > 1 4 O 0.83333333333333 0.66666666666667 0.02836607909545 15.999 > 1 5 O 0.00000000000000 0.00000000000000 0.30496725423789 15.999 > 5 6 O 0.50000000000000 0.00000000000000 0.30496725423789 15.999 > 5 7 O 0.00000000000000 0.50000000000000 0.30496725423789 15.999 > 5 8 O 0.50000000000000 0.50000000000000 0.30496725423789 15.999 > 5 9 O 0.16666666666667 0.33333333333333 0.36169941242878 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.36169941242878 15.999 > 1 11 O 0.16666666666667 0.83333333333333 0.36169941242878 15.999 > 1 12 O 0.66666666666667 0.83333333333333 0.36169941242878 15.999 > 1 13 O 0.33333333333333 0.16666666666667 0.63830058757122 15.999 > 5 14 O 0.83333333333333 0.16666666666667 0.63830058757122 15.999 > 5 15 O 0.33333333333333 0.66666666666667 0.63830058757122 15.999 > 5 16 O 0.83333333333333 0.66666666666667 0.63830058757122 15.999 > 5 17 O 0.00000000000000 0.00000000000000 0.69503274576212 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.69503274576212 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.69503274576212 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.69503274576212 15.999 > 1 21 O 0.16666666666667 0.33333333333333 0.97163392090455 15.999 > 5 22 O 0.66666666666667 0.33333333333333 0.97163392090455 15.999 > 5 23 O 0.16666666666667 0.83333333333333 0.97163392090455 15.999 > 5 24 O 0.66666666666667 0.83333333333333 0.97163392090455 15.999 > 5 25 P 0.00000000000000 0.00000000000000 0.11418912271864 30.974 > 25 26 P 0.50000000000000 0.00000000000000 0.11418912271864 30.974 > 25 27 P 0.00000000000000 0.50000000000000 0.11418912271864 30.974 > 25 28 P 0.50000000000000 0.50000000000000 0.11418912271864 30.974 > 25 29 P 0.33333333333333 0.16666666666667 0.21914421061469 30.974 > 29 30 P 0.83333333333333 0.16666666666667 0.21914421061469 30.974 > 29 31 P 0.33333333333333 0.66666666666667 0.21914421061469 30.974 > 29 32 P 0.83333333333333 0.66666666666667 0.21914421061469 30.974 > 29 33 P 0.33333333333333 0.16666666666667 0.44752245605197 30.974 > 25 34 P 0.83333333333333 0.16666666666667 0.44752245605197 30.974 > 25 35 P 0.33333333333333 0.66666666666667 0.44752245605197 30.974 > 25 36 P 0.83333333333333 0.66666666666667 0.44752245605197 30.974 > 25 37 P 0.16666666666667 0.33333333333333 0.55247754394802 30.974 > 29 38 P 0.66666666666667 0.33333333333333 0.55247754394802 30.974 > 29 39 P 0.16666666666667 0.83333333333333 0.55247754394802 30.974 > 29 40 P 0.66666666666667 0.83333333333333 0.55247754394802 30.974 > 29 41 P 0.16666666666667 0.33333333333333 0.78085578938531 30.974 > 25 42 P 0.66666666666667 0.33333333333333 0.78085578938531 30.974 > 25 43 P 0.16666666666667 0.83333333333333 0.78085578938531 30.974 > 25 44 P 0.66666666666667 0.83333333333333 0.78085578938531 30.974 > 25 45 P 0.00000000000000 0.00000000000000 0.88581087728136 30.974 > 29 46 P 0.50000000000000 0.00000000000000 0.88581087728136 30.974 > 29 47 P 0.00000000000000 0.50000000000000 0.88581087728136 30.974 > 29 48 P 0.50000000000000 0.50000000000000 0.88581087728136 30.974 > 29 49 Zn 0.00000000000000 0.00000000000000 0.19594294929722 65.380 > 49 50 Zn 0.50000000000000 0.00000000000000 0.19594294929722 65.380 > 49 51 Zn 0.00000000000000 0.50000000000000 0.19594294929722 65.380 > 49 52 Zn 0.50000000000000 0.50000000000000 0.19594294929722 65.380 > 49 53 Zn 0.33333333333333 0.16666666666667 0.13739038403611 65.380 > 53 54 Zn 0.83333333333333 0.16666666666667 0.13739038403611 65.380 > 53 55 Zn 0.33333333333333 0.66666666666667 0.13739038403611 65.380 > 53 56 Zn 0.83333333333333 0.66666666666667 0.13739038403611 65.380 > 53 57 Zn 0.33333333333333 0.16666666666667 0.52927628263056 65.380 > 49 58 Zn 0.83333333333333 0.16666666666667 0.52927628263056 65.380 > 49 59 Zn 0.33333333333333 0.66666666666667 0.52927628263056 65.380 > 49 60 Zn 0.83333333333333 0.66666666666667 0.52927628263056 65.380 > 49 61 Zn 0.16666666666667 0.33333333333333 0.47072371736945 65.380 > 53 62 Zn 0.66666666666667 0.33333333333333 0.47072371736945 65.380 > 53 63 Zn 0.16666666666667 0.83333333333333 0.47072371736945 65.380 > 53 64 Zn 0.66666666666667 0.83333333333333 0.47072371736945 65.380 > 53 65 Zn 0.16666666666667 0.33333333333333 0.86260961596389 65.380 > 49 66 Zn 0.66666666666667 0.33333333333333 0.86260961596389 65.380 > 49 67 Zn 0.16666666666667 0.83333333333333 0.86260961596389 65.380 > 49 68 Zn 0.66666666666667 0.83333333333333 0.86260961596389 65.380 > 49 69 Zn 0.00000000000000 0.00000000000000 0.80405705070278 65.380 > 53 70 Zn 0.50000000000000 0.00000000000000 0.80405705070278 65.380 > 53 71 Zn 0.00000000000000 0.50000000000000 0.80405705070278 65.380 > 53 72 Zn 0.50000000000000 0.50000000000000 0.80405705070278 65.380 > 53 73 Nd 0.16666666666667 0.33333333333333 0.28512892909744 144.242 > 73 74 Nd 0.66666666666667 0.33333333333333 0.28512892909744 144.242 > 73 75 Nd 0.16666666666667 0.83333333333333 0.28512892909744 144.242 > 73 76 Nd 0.66666666666667 0.83333333333333 0.28512892909744 144.242 > 73 77 Nd 0.16666666666667 0.33333333333333 0.04820440423589 144.242 > 77 78 Nd 0.66666666666667 0.33333333333333 0.04820440423589 144.242 > 77 79 Nd 0.16666666666667 0.83333333333333 0.04820440423589 144.242 > 77 80 Nd 0.66666666666667 0.83333333333333 0.04820440423589 144.242 > 77 81 Nd 0.00000000000000 0.00000000000000 0.61846226243077 144.242 > 73 82 Nd 0.50000000000000 0.00000000000000 0.61846226243077 144.242 > 73 83 Nd 0.00000000000000 0.50000000000000 0.61846226243077 144.242 > 73 84 Nd 0.50000000000000 0.50000000000000 0.61846226243077 144.242 > 73 85 Nd 0.00000000000000 0.00000000000000 0.38153773756922 144.242 > 77 86 Nd 0.50000000000000 0.00000000000000 0.38153773756922 144.242 > 77 87 Nd 0.00000000000000 0.50000000000000 0.38153773756922 144.242 > 77 88 Nd 0.50000000000000 0.50000000000000 0.38153773756922 144.242 > 77 89 Nd 0.33333333333333 0.16666666666667 0.95179559576411 144.242 > 73 90 Nd 0.83333333333333 0.16666666666667 0.95179559576411 144.242 > 73 91 Nd 0.33333333333333 0.66666666666667 0.95179559576411 144.242 > 73 92 Nd 0.83333333333333 0.66666666666667 0.95179559576411 144.242 > 73 93 Nd 0.33333333333333 0.16666666666667 0.71487107090256 144.242 > 77 94 Nd 0.83333333333333 0.16666666666667 0.71487107090256 144.242 > 77 95 Nd 0.33333333333333 0.66666666666667 0.71487107090256 144.242 > 77 96 Nd 0.83333333333333 0.66666666666667 0.71487107090256 144.242 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4516765 -0.0000000 0.0000000 0.0000000 10.4516765 0.0000000 0.0000000 0.0000000 8.0686985 -------------------------- Born effective charges -------------------------- 1 O -2.8623072 0.0000000 0.0000000 0.0000000 -2.8623072 0.0000000 0.0000000 0.0000000 -4.0363357 2 O -2.8623072 0.0000000 0.0000000 0.0000000 -2.8623072 0.0000000 0.0000000 0.0000000 -4.0363357 3 P -3.1348355 -0.0000000 0.0000000 0.0000000 -3.1348355 0.0000000 0.0000000 0.0000000 -2.5147339 4 P -3.1348355 -0.0000000 0.0000000 0.0000000 -3.1348355 0.0000000 0.0000000 0.0000000 -2.5147339 5 Zn 1.9449453 0.0000000 0.0000000 0.0000000 1.9449453 0.0000000 0.0000000 0.0000000 1.2293029 6 Zn 1.9449453 0.0000000 0.0000000 0.0000000 1.9449453 0.0000000 0.0000000 0.0000000 1.2293029 7 Nd 4.0521974 0.0000000 0.0000000 0.0000000 4.0521974 0.0000000 0.0000000 0.0000000 5.3217667 8 Nd 4.0521974 0.0000000 0.0000000 0.0000000 4.0521974 0.0000000 0.0000000 0.0000000 5.3217667 ---------------------------------------------------------------------------- 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[ 25, 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[ 49, 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[ 73, 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: 0.00000009 (zzz) 0.00000009 (zzz) 0.00000009 (zzz) 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 2026-01-07 23:22:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:22:30]------------------------- 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): [2 2 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 1.975062098851721 1.140302634438266 10.245692299999989 b -1.975062098851717 1.140302634438266 10.245692299999989 c 0.000000000000002 -2.280605268876535 10.245692299999989 Atomic positions (fractional): 1 O 0.69503274576211 0.69503274576211 0.69503274576212 15.999 2 O 0.30496725423789 0.30496725423789 0.30496725423789 15.999 3 P 0.11418912271864 0.11418912271864 0.11418912271864 30.974 4 P 0.88581087728136 0.88581087728136 0.88581087728136 30.974 5 Zn 0.19594294929722 0.19594294929722 0.19594294929722 65.380 6 Zn 0.80405705070278 0.80405705070278 0.80405705070278 65.380 7 Nd 0.61846226243077 0.61846226243078 0.61846226243077 144.242 8 Nd 0.38153773756922 0.38153773756923 0.38153773756922 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.900248395406876 0.000000000000000 0.000000000000000 b -3.950124197703438 6.841815806629602 0.000000000000000 c 0.000000000000000 0.000000000000000 30.737076899999998 Atomic positions (fractional): 1 O 0.33333333333333 0.16666666666667 0.02836607909545 15.999 > 1 2 O 0.83333333333333 0.16666666666667 0.02836607909545 15.999 > 1 3 O 0.33333333333333 0.66666666666667 0.02836607909545 15.999 > 1 4 O 0.83333333333333 0.66666666666667 0.02836607909545 15.999 > 1 5 O 0.00000000000000 0.00000000000000 0.30496725423789 15.999 > 5 6 O 0.50000000000000 0.00000000000000 0.30496725423789 15.999 > 5 7 O 0.00000000000000 0.50000000000000 0.30496725423789 15.999 > 5 8 O 0.50000000000000 0.50000000000000 0.30496725423789 15.999 > 5 9 O 0.16666666666667 0.33333333333333 0.36169941242878 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.36169941242878 15.999 > 1 11 O 0.16666666666667 0.83333333333333 0.36169941242878 15.999 > 1 12 O 0.66666666666667 0.83333333333333 0.36169941242878 15.999 > 1 13 O 0.33333333333333 0.16666666666667 0.63830058757122 15.999 > 5 14 O 0.83333333333333 0.16666666666667 0.63830058757122 15.999 > 5 15 O 0.33333333333333 0.66666666666667 0.63830058757122 15.999 > 5 16 O 0.83333333333333 0.66666666666667 0.63830058757122 15.999 > 5 17 O 0.00000000000000 0.00000000000000 0.69503274576212 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.69503274576212 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.69503274576212 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.69503274576212 15.999 > 1 21 O 0.16666666666667 0.33333333333333 0.97163392090455 15.999 > 5 22 O 0.66666666666667 0.33333333333333 0.97163392090455 15.999 > 5 23 O 0.16666666666667 0.83333333333333 0.97163392090455 15.999 > 5 24 O 0.66666666666667 0.83333333333333 0.97163392090455 15.999 > 5 25 P 0.00000000000000 0.00000000000000 0.11418912271864 30.974 > 25 26 P 0.50000000000000 0.00000000000000 0.11418912271864 30.974 > 25 27 P 0.00000000000000 0.50000000000000 0.11418912271864 30.974 > 25 28 P 0.50000000000000 0.50000000000000 0.11418912271864 30.974 > 25 29 P 0.33333333333333 0.16666666666667 0.21914421061469 30.974 > 29 30 P 0.83333333333333 0.16666666666667 0.21914421061469 30.974 > 29 31 P 0.33333333333333 0.66666666666667 0.21914421061469 30.974 > 29 32 P 0.83333333333333 0.66666666666667 0.21914421061469 30.974 > 29 33 P 0.33333333333333 0.16666666666667 0.44752245605197 30.974 > 25 34 P 0.83333333333333 0.16666666666667 0.44752245605197 30.974 > 25 35 P 0.33333333333333 0.66666666666667 0.44752245605197 30.974 > 25 36 P 0.83333333333333 0.66666666666667 0.44752245605197 30.974 > 25 37 P 0.16666666666667 0.33333333333333 0.55247754394802 30.974 > 29 38 P 0.66666666666667 0.33333333333333 0.55247754394802 30.974 > 29 39 P 0.16666666666667 0.83333333333333 0.55247754394802 30.974 > 29 40 P 0.66666666666667 0.83333333333333 0.55247754394802 30.974 > 29 41 P 0.16666666666667 0.33333333333333 0.78085578938531 30.974 > 25 42 P 0.66666666666667 0.33333333333333 0.78085578938531 30.974 > 25 43 P 0.16666666666667 0.83333333333333 0.78085578938531 30.974 > 25 44 P 0.66666666666667 0.83333333333333 0.78085578938531 30.974 > 25 45 P 0.00000000000000 0.00000000000000 0.88581087728136 30.974 > 29 46 P 0.50000000000000 0.00000000000000 0.88581087728136 30.974 > 29 47 P 0.00000000000000 0.50000000000000 0.88581087728136 30.974 > 29 48 P 0.50000000000000 0.50000000000000 0.88581087728136 30.974 > 29 49 Zn 0.00000000000000 0.00000000000000 0.19594294929722 65.380 > 49 50 Zn 0.50000000000000 0.00000000000000 0.19594294929722 65.380 > 49 51 Zn 0.00000000000000 0.50000000000000 0.19594294929722 65.380 > 49 52 Zn 0.50000000000000 0.50000000000000 0.19594294929722 65.380 > 49 53 Zn 0.33333333333333 0.16666666666667 0.13739038403611 65.380 > 53 54 Zn 0.83333333333333 0.16666666666667 0.13739038403611 65.380 > 53 55 Zn 0.33333333333333 0.66666666666667 0.13739038403611 65.380 > 53 56 Zn 0.83333333333333 0.66666666666667 0.13739038403611 65.380 > 53 57 Zn 0.33333333333333 0.16666666666667 0.52927628263056 65.380 > 49 58 Zn 0.83333333333333 0.16666666666667 0.52927628263056 65.380 > 49 59 Zn 0.33333333333333 0.66666666666667 0.52927628263056 65.380 > 49 60 Zn 0.83333333333333 0.66666666666667 0.52927628263056 65.380 > 49 61 Zn 0.16666666666667 0.33333333333333 0.47072371736945 65.380 > 53 62 Zn 0.66666666666667 0.33333333333333 0.47072371736945 65.380 > 53 63 Zn 0.16666666666667 0.83333333333333 0.47072371736945 65.380 > 53 64 Zn 0.66666666666667 0.83333333333333 0.47072371736945 65.380 > 53 65 Zn 0.16666666666667 0.33333333333333 0.86260961596389 65.380 > 49 66 Zn 0.66666666666667 0.33333333333333 0.86260961596389 65.380 > 49 67 Zn 0.16666666666667 0.83333333333333 0.86260961596389 65.380 > 49 68 Zn 0.66666666666667 0.83333333333333 0.86260961596389 65.380 > 49 69 Zn 0.00000000000000 0.00000000000000 0.80405705070278 65.380 > 53 70 Zn 0.50000000000000 0.00000000000000 0.80405705070278 65.380 > 53 71 Zn 0.00000000000000 0.50000000000000 0.80405705070278 65.380 > 53 72 Zn 0.50000000000000 0.50000000000000 0.80405705070278 65.380 > 53 73 Nd 0.16666666666667 0.33333333333333 0.28512892909744 144.242 > 73 74 Nd 0.66666666666667 0.33333333333333 0.28512892909744 144.242 > 73 75 Nd 0.16666666666667 0.83333333333333 0.28512892909744 144.242 > 73 76 Nd 0.66666666666667 0.83333333333333 0.28512892909744 144.242 > 73 77 Nd 0.16666666666667 0.33333333333333 0.04820440423589 144.242 > 77 78 Nd 0.66666666666667 0.33333333333333 0.04820440423589 144.242 > 77 79 Nd 0.16666666666667 0.83333333333333 0.04820440423589 144.242 > 77 80 Nd 0.66666666666667 0.83333333333333 0.04820440423589 144.242 > 77 81 Nd 0.00000000000000 0.00000000000000 0.61846226243077 144.242 > 73 82 Nd 0.50000000000000 0.00000000000000 0.61846226243077 144.242 > 73 83 Nd 0.00000000000000 0.50000000000000 0.61846226243077 144.242 > 73 84 Nd 0.50000000000000 0.50000000000000 0.61846226243077 144.242 > 73 85 Nd 0.00000000000000 0.00000000000000 0.38153773756922 144.242 > 77 86 Nd 0.50000000000000 0.00000000000000 0.38153773756922 144.242 > 77 87 Nd 0.00000000000000 0.50000000000000 0.38153773756922 144.242 > 77 88 Nd 0.50000000000000 0.50000000000000 0.38153773756922 144.242 > 77 89 Nd 0.33333333333333 0.16666666666667 0.95179559576411 144.242 > 73 90 Nd 0.83333333333333 0.16666666666667 0.95179559576411 144.242 > 73 91 Nd 0.33333333333333 0.66666666666667 0.95179559576411 144.242 > 73 92 Nd 0.83333333333333 0.66666666666667 0.95179559576411 144.242 > 73 93 Nd 0.33333333333333 0.16666666666667 0.71487107090256 144.242 > 77 94 Nd 0.83333333333333 0.16666666666667 0.71487107090256 144.242 > 77 95 Nd 0.33333333333333 0.66666666666667 0.71487107090256 144.242 > 77 96 Nd 0.83333333333333 0.66666666666667 0.71487107090256 144.242 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.4516765 -0.0000000 0.0000000 0.0000000 10.4516765 0.0000000 0.0000000 0.0000000 8.0686985 -------------------------- Born effective charges -------------------------- 1 O -2.8623072 0.0000000 0.0000000 0.0000000 -2.8623072 0.0000000 0.0000000 0.0000000 -4.0363357 2 O -2.8623072 0.0000000 0.0000000 0.0000000 -2.8623072 0.0000000 0.0000000 0.0000000 -4.0363357 3 P -3.1348355 -0.0000000 0.0000000 0.0000000 -3.1348355 0.0000000 0.0000000 0.0000000 -2.5147339 4 P -3.1348355 -0.0000000 0.0000000 0.0000000 -3.1348355 0.0000000 0.0000000 0.0000000 -2.5147339 5 Zn 1.9449453 0.0000000 0.0000000 0.0000000 1.9449453 0.0000000 0.0000000 0.0000000 1.2293029 6 Zn 1.9449453 0.0000000 0.0000000 0.0000000 1.9449453 0.0000000 0.0000000 0.0000000 1.2293029 7 Nd 4.0521974 0.0000000 0.0000000 0.0000000 4.0521974 0.0000000 0.0000000 0.0000000 5.3217667 8 Nd 4.0521974 0.0000000 0.0000000 0.0000000 4.0521974 0.0000000 0.0000000 0.0000000 5.3217667 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (zzz) 0.00000009 (zzz) 0.00000009 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.80, Number of G-points: 299, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 8.403 ( 0.000 0.000 0.000) 0.000 8.403 ( 0.000 0.000 0.000) 0.000 8.698 ( 0.000 0.000 0.000) 0.000 8.698 ( 0.000 0.000 0.000) 0.000 9.344 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 11.926 ( 0.000 0.000 0.000) 0.000 11.926 ( 0.000 0.000 0.000) 0.000 12.659 ( 0.000 0.000 0.000) 0.000 12.771 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 25.915 14.962 2.600) 30.037 0.616 ( 26.406 15.246 7.177) 31.324 1.103 ( 47.859 27.632 3.391) 55.367 2.301 ( 6.986 4.034 -0.041) 8.067 2.379 ( 13.193 7.617 -3.988) 15.747 2.660 ( -0.818 -0.472 -0.412) 1.031 2.841 ( 6.856 3.959 3.276) 8.568 3.349 ( 0.718 0.415 0.155) 0.844 3.441 ( 8.450 4.879 -0.130) 9.758 4.032 ( -2.691 -1.554 -7.568) 8.182 4.187 ( 3.288 1.898 5.436) 6.630 5.481 ( -2.782 -1.606 -1.490) 3.541 7.372 ( 0.550 0.318 2.065) 2.160 8.424 ( 1.801 1.040 0.391) 2.116 8.710 ( 1.232 0.711 -1.287) 1.918 8.715 ( 1.485 0.857 -0.219) 1.729 8.932 ( -14.757 -8.520 2.462) 17.217 9.523 ( 8.188 4.727 -1.439) 9.563 10.222 ( -4.108 -2.372 -0.244) 4.750 11.530 ( -22.350 -12.904 -21.902) 33.849 11.935 ( 0.718 0.415 0.192) 0.851 12.035 ( -17.439 -10.068 5.012) 20.751 12.974 ( 24.303 14.031 -27.545) 39.322 13.063 ( 5.213 3.010 59.572) 59.876 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 23.394 13.506 2.172) 27.100 1.210 ( 24.931 14.394 5.317) 29.275 2.144 ( 43.333 25.018 0.228) 50.037 2.506 ( 9.938 5.737 2.955) 11.849 2.638 ( -0.275 -0.159 -3.689) 3.702 2.706 ( 15.352 8.863 -5.534) 18.570 3.061 ( 10.893 6.289 7.201) 14.493 3.375 ( 1.657 0.957 0.432) 1.962 3.686 ( 12.548 7.244 0.098) 14.489 3.944 ( -3.731 -2.154 -2.375) 4.920 4.339 ( 10.546 6.089 -1.815) 12.312 5.384 ( -5.213 -3.010 -2.777) 6.629 7.398 ( 2.088 1.206 -5.735) 6.221 8.483 ( 3.257 1.880 0.648) 3.816 8.629 ( -12.314 -7.110 7.076) 15.883 8.753 ( 3.117 1.800 -2.484) 4.373 8.763 ( 2.785 1.608 -0.349) 3.235 9.658 ( 4.462 2.576 -3.868) 6.442 10.090 ( -7.334 -4.234 -0.122) 8.470 10.989 ( -22.379 -12.920 -0.902) 25.856 11.625 ( -18.414 -10.631 4.094) 21.653 11.957 ( 1.148 0.663 0.077) 1.328 13.264 ( 5.862 3.384 18.037) 19.265 13.470 ( 20.833 12.028 -8.134) 25.394 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 19.493 11.254 1.247) 22.544 1.750 ( 22.108 12.764 3.103) 25.717 2.589 ( -1.617 -0.933 5.949) 6.235 2.781 ( 11.769 6.795 -6.530) 15.077 2.845 ( 13.705 7.912 -12.641) 20.254 3.164 ( 28.095 16.221 7.503) 33.298 3.334 ( 13.927 8.041 4.631) 16.735 3.427 ( 2.880 1.663 0.847) 3.432 3.844 ( -2.262 -1.306 2.266) 3.458 4.011 ( 13.789 7.961 -0.893) 15.947 4.650 ( 16.502 9.527 -4.309) 19.535 5.253 ( -5.049 -2.915 -2.897) 6.511 7.441 ( 2.835 1.637 -5.714) 6.585 8.426 ( -7.213 -4.165 8.949) 12.226 8.569 ( 4.066 2.347 0.652) 4.740 8.836 ( 3.707 2.140 -0.306) 4.292 8.850 ( 6.257 3.613 -2.938) 7.800 9.719 ( 2.210 1.276 -5.402) 5.974 9.902 ( -9.149 -5.282 0.406) 10.573 10.551 ( -16.651 -9.614 6.211) 20.206 11.250 ( -15.044 -8.686 -1.504) 17.436 11.984 ( 1.262 0.729 -0.355) 1.500 13.401 ( 4.189 2.418 6.687) 8.253 13.863 ( 14.859 8.579 -0.868) 17.179 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 14.728 8.503 -0.308) 17.009 2.212 ( 18.510 10.687 0.672) 21.385 2.566 ( -1.274 -0.736 4.762) 4.984 2.977 ( 3.088 1.783 -8.432) 9.155 3.019 ( 10.025 5.788 -4.335) 12.361 3.492 ( 6.548 3.780 8.626) 11.471 3.508 ( 4.035 2.330 1.129) 4.794 3.701 ( 1.615 0.932 -0.581) 1.953 4.019 ( 23.528 13.584 -2.520) 27.285 4.336 ( 14.747 8.514 3.219) 17.330 4.940 ( 6.288 3.630 -3.594) 8.101 5.244 ( 8.155 4.708 -1.729) 9.574 7.503 ( 3.464 2.000 -1.776) 4.376 8.334 ( -2.847 -1.644 7.021) 7.753 8.663 ( 4.063 2.346 0.392) 4.708 8.924 ( 4.071 2.351 -0.069) 4.702 9.025 ( 9.816 5.667 -3.235) 11.787 9.692 ( -9.379 -5.415 1.041) 10.879 9.746 ( 1.351 0.780 -4.700) 4.952 10.265 ( -10.239 -5.911 6.236) 13.366 10.942 ( -11.892 -6.866 -3.129) 14.084 12.011 ( 1.184 0.684 -0.853) 1.612 13.491 ( 3.115 1.798 2.381) 4.313 14.138 ( 9.673 5.585 1.454) 11.264 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 9.816 5.667 -2.398) 11.585 2.556 ( -0.551 -0.318 5.257) 5.296 2.582 ( 14.368 8.295 -1.977) 16.708 2.997 ( 0.440 0.254 -3.292) 3.331 3.206 ( 7.259 4.191 -2.771) 8.828 3.580 ( -0.059 -0.034 5.344) 5.344 3.606 ( 4.259 2.459 0.921) 5.004 3.694 ( 0.008 0.005 -0.349) 0.349 4.413 ( 11.279 6.512 -6.604) 14.602 4.667 ( 9.812 5.665 4.990) 12.380 5.059 ( 10.602 6.121 -0.831) 12.270 5.514 ( 12.247 7.071 -0.904) 14.171 7.592 ( 4.469 2.580 1.488) 5.371 8.311 ( -0.592 -0.342 3.631) 3.695 8.748 ( 3.338 1.927 0.071) 3.855 9.013 ( 3.734 2.156 0.208) 4.316 9.262 ( 11.294 6.520 -3.365) 13.468 9.496 ( -8.096 -4.674 1.354) 9.446 9.765 ( 0.933 0.539 -1.631) 1.955 10.104 ( -5.211 -3.009 3.256) 6.842 10.698 ( -9.333 -5.388 -2.701) 11.110 12.033 ( 0.994 0.574 -1.102) 1.591 13.556 ( 2.423 1.399 0.690) 2.882 14.313 ( 5.759 3.325 1.763) 6.880 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 5.093 2.941 -4.453) 7.377 2.565 ( 0.306 0.177 5.981) 5.991 2.836 ( 8.227 4.750 -5.627) 11.042 3.006 ( 1.094 0.631 2.805) 3.076 3.333 ( 4.429 2.557 -1.284) 5.273 3.562 ( -1.092 -0.631 0.373) 1.315 3.680 ( -1.759 -1.015 1.922) 2.796 3.693 ( 3.120 1.802 0.451) 3.631 4.581 ( 5.864 3.385 -4.166) 7.949 4.763 ( 0.563 0.325 2.564) 2.645 5.385 ( 14.654 8.461 -0.666) 16.934 5.729 ( 6.535 3.773 0.669) 7.575 7.700 ( 4.364 2.520 2.184) 5.492 8.312 ( 0.029 0.016 1.127) 1.127 8.810 ( 2.188 1.263 -0.049) 2.527 9.087 ( 2.643 1.526 0.283) 3.065 9.343 ( -5.538 -3.197 1.100) 6.488 9.491 ( 9.140 5.277 -3.647) 11.166 9.772 ( -0.639 -0.369 2.486) 2.593 10.047 ( 0.015 0.009 -0.106) 0.107 10.506 ( -7.399 -4.272 -1.597) 8.692 12.050 ( 0.684 0.395 -0.923) 1.215 13.603 ( 1.656 0.956 0.099) 1.915 14.412 ( 2.945 1.700 1.270) 3.630 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 1.007 0.582 -1.877) 2.208 2.592 ( 0.771 0.445 2.346) 2.509 2.913 ( 0.923 0.533 -2.968) 3.153 3.070 ( 2.481 1.433 2.206) 3.616 3.399 ( 1.503 0.868 -0.331) 1.767 3.548 ( -0.058 -0.033 -0.863) 0.866 3.638 ( -1.664 -0.960 1.369) 2.359 3.742 ( 1.121 0.647 0.113) 1.300 4.681 ( 3.675 2.121 -2.036) 4.706 4.750 ( -1.802 -1.041 1.594) 2.622 5.632 ( 6.549 3.781 -1.136) 7.647 5.811 ( 0.942 0.544 1.173) 1.600 7.778 ( 1.871 1.080 0.957) 2.363 8.314 ( 0.034 0.020 0.136) 0.141 8.844 ( 0.784 0.453 -0.014) 0.905 9.129 ( 0.953 0.550 0.111) 1.106 9.258 ( -1.995 -1.152 0.417) 2.342 9.640 ( 4.568 2.637 -3.387) 6.268 9.744 ( -2.164 -1.249 3.416) 4.232 10.091 ( 2.742 1.583 -0.481) 3.203 10.364 ( -4.351 -2.512 -0.509) 5.049 12.059 ( 0.247 0.143 -0.358) 0.458 13.629 ( 0.602 0.348 -0.014) 0.695 14.456 ( 0.890 0.514 0.454) 1.123 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -0.000 29.572 4.811) 29.960 0.645 ( -0.000 29.115 15.510) 32.988 1.115 ( -0.000 54.772 7.267) 55.252 2.280 ( 0.000 7.006 -6.127) 9.307 2.387 ( 0.000 15.926 -1.880) 16.036 2.678 ( -0.000 0.092 4.828) 4.829 2.824 ( 0.000 7.314 -1.410) 7.449 3.346 ( 0.000 0.724 -0.530) 0.897 3.440 ( -0.000 9.643 -0.299) 9.647 4.009 ( 0.000 -1.840 -12.636) 12.770 4.201 ( -0.000 2.338 7.642) 7.992 5.476 ( 0.000 -3.217 -2.703) 4.202 7.368 ( -0.000 -2.531 1.129) 2.771 8.421 ( 0.000 1.941 -0.508) 2.007 8.707 ( 0.000 1.059 -2.036) 2.295 8.716 ( -0.000 1.794 0.286) 1.817 8.940 ( -0.000 -15.938 4.658) 16.605 9.511 ( 0.000 8.836 -4.609) 9.966 10.226 ( -0.000 -4.599 1.008) 4.708 11.603 ( 0.000 -22.724 -4.191) 23.107 11.886 ( 0.000 -10.619 -28.860) 30.752 11.932 ( 0.000 0.716 -0.832) 1.098 12.857 ( 0.000 19.095 -10.303) 21.698 13.317 ( -0.000 -0.009 75.550) 75.550 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 14.466 24.863 6.024) 29.389 1.090 ( 14.200 25.618 9.284) 30.727 1.874 ( 24.609 43.765 4.432) 50.404 2.431 ( 9.459 9.079 -8.454) 15.600 2.588 ( 4.085 12.655 -0.668) 13.315 2.696 ( 0.343 5.762 2.089) 6.139 2.977 ( 7.698 7.969 4.427) 11.932 3.372 ( 1.510 1.975 -0.377) 2.514 3.600 ( 6.644 10.882 -1.044) 12.793 3.954 ( -1.559 -2.502 -6.062) 6.741 4.280 ( 4.150 7.158 -0.537) 8.291 5.407 ( -2.728 -4.665 -3.793) 6.602 7.355 ( 1.561 -0.020 -10.519) 10.634 8.465 ( 2.221 3.030 -0.224) 3.764 8.691 ( -2.768 -7.691 -0.161) 8.175 8.743 ( 0.478 2.078 0.806) 2.280 8.774 ( -3.055 -1.764 7.343) 8.147 9.604 ( 3.504 4.178 -7.605) 9.358 10.149 ( -3.442 -5.210 1.064) 6.334 11.200 ( -18.097 -18.858 3.474) 26.366 11.614 ( -5.158 -20.012 0.159) 20.667 11.986 ( 0.034 -1.123 -1.913) 2.218 13.207 ( 18.521 13.269 -2.464) 22.916 13.422 ( -4.652 12.686 25.294) 28.677 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 15.378 20.758 5.081) 26.329 1.600 ( 15.919 22.411 4.593) 27.870 2.578 ( 13.228 8.731 -10.081) 18.784 2.665 ( 4.637 10.180 7.099) 13.249 2.754 ( 8.850 18.522 -7.900) 21.995 2.941 ( 18.259 19.018 3.728) 26.627 3.216 ( 9.877 6.063 6.283) 13.183 3.435 ( 2.019 5.241 0.415) 5.632 3.851 ( 9.993 9.199 -0.171) 13.584 3.885 ( -1.060 -2.880 -0.709) 3.149 4.506 ( 11.560 12.743 -5.172) 17.966 5.286 ( -4.328 -5.234 -4.013) 7.888 7.379 ( 3.565 1.065 -12.201) 12.755 8.509 ( -5.974 -7.369 10.866) 14.424 8.551 ( 2.258 3.758 1.452) 4.618 8.799 ( 3.303 3.807 -1.734) 5.330 8.818 ( 2.062 4.148 0.996) 4.738 9.662 ( 2.935 0.578 -9.457) 9.919 10.020 ( -7.100 -3.081 1.409) 7.867 10.737 ( -17.397 -15.320 9.559) 25.075 11.303 ( -8.340 -18.383 -1.316) 20.229 11.984 ( 0.365 1.311 -0.754) 1.556 13.475 ( -1.795 9.160 11.577) 14.872 13.661 ( 16.476 9.358 -1.629) 19.018 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 11.858 18.094 2.809) 21.815 2.067 ( 14.473 18.861 1.503) 23.822 2.631 ( -1.848 3.519 1.936) 4.421 2.916 ( 5.116 5.470 -10.471) 12.874 2.947 ( 7.346 11.515 -2.998) 13.984 3.384 ( 7.318 1.927 6.973) 10.290 3.552 ( 3.029 9.952 2.588) 10.719 3.604 ( 18.224 15.069 -0.124) 23.648 3.852 ( 5.482 4.406 1.204) 7.136 4.162 ( 14.883 7.523 0.702) 16.691 4.840 ( 12.024 11.189 -4.287) 16.975 5.181 ( 0.004 -2.617 -3.030) 4.004 7.441 ( 4.700 1.614 -7.749) 9.205 8.385 ( -4.232 -4.405 12.228) 13.669 8.646 ( 2.779 5.157 0.225) 5.862 8.897 ( 3.264 4.093 -0.494) 5.258 8.938 ( 6.554 6.713 -1.382) 9.483 9.679 ( 2.016 -1.746 -8.589) 8.993 9.863 ( -9.808 0.331 1.326) 9.903 10.382 ( -11.539 -11.281 9.637) 18.796 10.995 ( -8.100 -14.616 -3.360) 17.045 12.015 ( 0.906 2.838 -0.802) 3.086 13.532 ( -2.241 7.201 4.062) 8.566 13.981 ( 13.728 3.274 1.318) 14.175 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 6.603 15.934 0.280) 17.250 2.457 ( 11.999 14.990 -1.321) 19.246 2.641 ( -3.269 6.391 3.957) 8.197 2.967 ( 1.625 0.925 -6.248) 6.522 3.179 ( 5.918 11.605 -3.412) 13.467 3.490 ( 4.091 -1.504 5.937) 7.366 3.681 ( -1.701 -0.831 -1.071) 2.175 3.705 ( 1.783 9.939 2.994) 10.532 4.245 ( 15.576 10.095 -6.307) 19.603 4.517 ( 16.409 7.978 5.834) 19.155 4.988 ( 2.970 3.273 -1.396) 4.635 5.342 ( 14.192 5.379 -2.175) 15.332 7.533 ( 5.273 2.158 -2.128) 6.082 8.328 ( -1.673 -2.323 8.281) 8.762 8.739 ( 2.111 5.279 -0.024) 5.685 8.991 ( 2.932 4.256 0.124) 5.170 9.142 ( 9.284 7.191 -2.313) 11.969 9.623 ( -6.472 -1.405 -1.318) 6.752 9.757 ( -2.081 1.844 -3.113) 4.174 10.162 ( -6.419 -7.212 6.796) 11.806 10.737 ( -6.246 -11.845 -3.391) 13.814 12.060 ( -0.011 5.130 -1.014) 5.229 13.564 ( -0.933 3.909 1.313) 4.228 14.196 ( 9.914 -0.359 1.794) 10.081 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 1.342 13.231 -2.197) 13.479 2.661 ( -3.897 8.987 5.462) 11.215 2.753 ( 8.186 10.713 -4.926) 14.355 2.985 ( 1.440 0.063 -0.743) 1.622 3.351 ( 2.312 10.777 -2.636) 11.333 3.521 ( 1.364 -3.499 4.140) 5.590 3.655 ( 0.311 -1.143 -0.748) 1.401 3.806 ( -2.485 10.574 2.234) 11.090 4.483 ( 8.411 3.666 -5.493) 10.694 4.739 ( 3.553 0.492 3.741) 5.183 5.206 ( 14.965 8.001 -0.184) 16.970 5.604 ( 11.387 2.186 -0.069) 11.595 7.646 ( 5.280 2.365 1.154) 5.900 8.309 ( -0.168 -1.427 3.842) 4.101 8.815 ( 0.942 4.936 -0.136) 5.027 9.074 ( 2.127 3.735 0.272) 4.307 9.331 ( 5.505 1.278 -2.178) 6.057 9.512 ( -5.101 5.481 0.425) 7.499 9.769 ( 1.327 0.729 -1.542) 2.161 10.043 ( -2.412 -4.248 3.108) 5.790 10.538 ( -4.534 -9.142 -2.337) 10.468 12.106 ( -1.746 7.516 -0.965) 7.776 13.585 ( 0.578 0.694 0.432) 1.001 14.324 ( 6.959 -2.818 1.300) 7.620 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -2.686 10.081 -2.537) 10.737 2.699 ( -4.600 10.579 4.331) 12.322 2.899 ( 1.580 4.745 -6.108) 7.894 3.041 ( 3.426 2.098 2.907) 4.959 3.452 ( -1.551 8.957 -0.563) 9.107 3.511 ( 1.409 -3.016 0.142) 3.332 3.650 ( -0.219 -0.761 1.359) 1.573 3.845 ( -4.904 10.365 0.764) 11.492 4.615 ( 5.679 1.814 -3.091) 6.715 4.757 ( -0.291 -1.784 2.479) 3.068 5.508 ( 11.889 4.217 -1.348) 12.686 5.751 ( 5.680 -2.016 1.741) 6.274 7.746 ( 3.547 1.414 1.580) 4.133 8.305 ( 0.422 -1.157 1.049) 1.618 8.864 ( -0.425 4.173 -0.099) 4.196 9.131 ( 0.763 2.711 0.166) 2.821 9.310 ( -3.676 -0.120 0.114) 3.680 9.589 ( 3.743 4.554 -2.358) 6.349 9.783 ( -1.202 0.976 1.895) 2.447 10.019 ( 3.285 -2.970 0.133) 4.430 10.395 ( -3.450 -5.511 -1.063) 6.588 12.140 ( -3.674 9.077 -0.567) 9.808 13.599 ( 1.582 -1.755 0.312) 2.384 14.389 ( 4.825 -4.488 0.450) 6.605 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -4.506 8.544 -1.420) 9.763 2.715 ( -6.516 10.029 2.035) 12.132 2.926 ( -0.376 2.444 -1.984) 3.171 3.092 ( -0.745 0.505 1.394) 1.659 3.473 ( -3.948 6.187 -0.300) 7.345 3.517 ( 1.923 -2.332 -0.422) 3.052 3.641 ( -1.163 1.265 0.649) 1.837 3.854 ( -5.627 9.584 0.229) 11.116 4.699 ( 2.526 0.415 -1.381) 2.908 4.719 ( -1.122 -2.635 1.831) 3.399 5.644 ( 1.962 -2.224 -0.751) 3.059 5.776 ( 1.829 -4.486 1.089) 4.966 7.784 ( -0.023 -0.624 0.172) 0.647 8.304 ( 0.573 -1.156 0.067) 1.292 8.881 ( -1.870 3.259 -0.054) 3.758 9.151 ( -0.942 1.590 0.035) 1.849 9.274 ( -1.523 2.545 0.151) 2.970 9.651 ( 1.455 -0.956 -1.050) 2.033 9.766 ( -2.638 2.973 0.615) 4.022 10.050 ( 3.334 -5.586 0.007) 6.505 10.331 ( 0.460 -0.438 0.151) 0.653 12.154 ( -5.186 9.179 0.020) 10.543 13.605 ( 1.606 -2.827 0.461) 3.284 14.406 ( 3.131 -5.626 -0.493) 6.457 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -5.988 7.048 0.504) 9.262 2.679 ( -8.706 9.162 -1.195) 12.695 2.930 ( -2.624 1.263 3.129) 4.275 3.027 ( -5.151 -1.337 -1.142) 5.443 3.448 ( -5.892 5.692 -1.569) 8.341 3.516 ( 1.108 -3.313 1.584) 3.836 3.642 ( 0.528 0.200 -0.906) 1.067 3.842 ( -6.838 9.210 -0.378) 11.478 4.637 ( -3.997 -3.514 3.332) 6.279 4.743 ( 1.520 -0.939 -1.944) 2.640 5.515 ( -9.733 -8.296 0.860) 12.818 5.743 ( -0.983 -5.942 -0.771) 6.072 7.736 ( -3.353 -2.477 -1.604) 4.466 8.300 ( 0.452 -1.329 -0.266) 1.429 8.864 ( -3.377 2.465 -0.037) 4.181 9.130 ( -2.804 0.702 -0.114) 2.892 9.310 ( 1.789 3.705 0.223) 4.120 9.603 ( -5.206 -2.044 1.828) 5.883 9.768 ( -0.550 2.639 -2.709) 3.822 10.021 ( 0.860 -4.863 0.559) 4.970 10.402 ( 6.773 0.469 1.207) 6.896 12.144 ( -5.842 7.722 0.520) 9.697 13.600 ( 0.603 -2.201 0.578) 2.355 14.383 ( 1.327 -6.532 -1.343) 6.799 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -12.263 4.309 2.689) 13.273 2.627 ( -6.024 8.238 -5.066) 11.394 2.781 ( -14.329 -1.782 3.623) 14.887 2.991 ( 0.671 -0.091 0.802) 1.050 3.364 ( -9.893 4.183 1.078) 10.795 3.500 ( 1.344 -4.492 -1.893) 5.056 3.658 ( 1.488 -0.362 0.069) 1.533 3.793 ( -8.444 7.280 -1.637) 11.268 4.518 ( -6.686 -5.092 5.203) 9.884 4.717 ( -2.884 -3.193 -3.044) 5.270 5.208 ( -14.462 -9.010 0.359) 17.043 5.603 ( -7.051 -8.611 -0.154) 11.131 7.634 ( -4.426 -2.967 -2.439) 5.860 8.292 ( 0.450 -1.443 -1.151) 1.900 8.816 ( -4.748 1.658 -0.092) 5.030 9.073 ( -4.315 0.051 -0.171) 4.319 9.347 ( -3.196 -3.516 2.613) 5.422 9.510 ( -2.848 6.446 -0.282) 7.053 9.771 ( -0.429 0.654 -1.277) 1.498 10.029 ( 4.025 -1.274 -0.753) 4.288 10.553 ( 10.480 -0.413 2.146) 10.705 12.111 ( -5.502 5.170 0.702) 7.583 13.585 ( -1.193 -0.090 0.406) 1.264 14.314 ( -1.115 -7.519 -1.886) 7.832 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -17.399 1.045 0.518) 17.438 2.465 ( -19.740 -2.561 1.220) 19.943 2.614 ( -4.088 6.525 -4.030) 8.690 3.004 ( -0.130 -0.232 4.954) 4.961 3.201 ( -12.681 0.644 3.373) 13.138 3.453 ( -0.924 -4.796 -5.027) 7.009 3.677 ( -6.073 4.234 -1.870) 7.635 3.696 ( -2.510 0.395 -0.042) 2.541 4.287 ( -17.559 -8.824 6.642) 20.744 4.478 ( -14.688 -10.178 -6.105) 18.884 5.001 ( -3.584 -0.684 2.392) 4.363 5.350 ( -11.275 -9.515 0.301) 14.757 7.535 ( -3.346 -2.365 -1.597) 4.398 8.290 ( 1.528 -0.941 -2.706) 3.247 8.738 ( -5.693 0.846 -0.290) 5.762 8.990 ( -5.104 -0.365 -0.053) 5.118 9.161 ( -10.878 -4.802 3.055) 12.277 9.628 ( 5.079 7.041 0.170) 8.683 9.772 ( -0.278 1.899 0.394) 1.959 10.128 ( 8.481 0.984 -2.865) 9.006 10.757 ( 13.584 -0.465 2.648) 13.848 12.065 ( -4.375 2.422 0.513) 5.027 13.559 ( -3.581 2.748 -0.389) 4.531 14.184 ( -4.559 -8.761 -1.770) 10.033 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -21.846 -2.384 -1.052) 22.001 2.063 ( -24.733 -2.732 0.274) 24.885 2.609 ( -2.143 4.762 -4.304) 6.767 2.966 ( -14.310 -3.513 5.029) 15.569 2.985 ( -4.687 0.075 7.878) 9.167 3.337 ( -6.759 -5.205 -7.167) 11.142 3.538 ( -9.741 2.781 -1.729) 10.276 3.606 ( -22.604 -8.623 0.199) 24.194 3.846 ( -8.019 -3.074 -0.352) 8.595 4.156 ( -12.708 -8.526 -1.134) 15.345 4.866 ( -15.418 -4.871 3.410) 16.525 5.194 ( 3.046 -1.101 0.712) 3.316 7.470 ( -2.079 -1.687 0.617) 2.748 8.329 ( 4.817 0.404 -3.943) 6.238 8.643 ( -5.953 0.270 -0.504) 5.980 8.899 ( -5.065 -0.517 -0.006) 5.091 8.953 ( -9.175 -3.128 2.693) 10.061 9.720 ( 1.176 -1.314 3.094) 3.561 9.855 ( 4.540 8.318 -1.223) 9.554 10.336 ( 14.931 3.585 -3.216) 15.689 11.012 ( 16.521 -0.492 1.942) 16.642 12.018 ( -2.895 0.557 0.142) 2.951 13.511 ( -6.594 5.259 -2.365) 8.759 13.976 ( -9.181 -10.051 -0.294) 13.616 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -25.998 -3.806 -1.470) 26.316 1.585 ( -28.700 -2.358 -0.402) 28.800 2.606 ( -5.539 3.008 -9.354) 11.279 2.642 ( -20.662 -8.566 8.713) 24.004 2.807 ( -27.403 -1.173 7.357) 28.397 2.923 ( -17.281 -4.826 -2.311) 18.090 3.180 ( -11.431 -4.795 -4.285) 13.115 3.432 ( -5.319 1.183 -0.512) 5.473 3.842 ( -8.677 -1.193 -2.323) 9.061 3.894 ( -0.322 -2.814 1.899) 3.410 4.529 ( -16.895 -3.802 1.731) 17.404 5.305 ( 7.012 1.171 1.213) 7.211 7.428 ( -1.849 -1.032 1.720) 2.728 8.457 ( 10.337 1.544 -3.125) 10.909 8.546 ( -5.351 -0.107 -0.494) 5.374 8.812 ( -5.141 -0.834 0.190) 5.211 8.815 ( -4.562 -0.894 1.593) 4.914 9.702 ( -2.114 -1.240 1.788) 3.034 10.014 ( 6.473 4.318 -0.320) 7.787 10.699 ( 22.828 6.056 -0.845) 23.633 11.306 ( 19.000 -1.681 -0.498) 19.081 11.986 ( -1.264 0.513 -0.053) 1.365 13.417 ( -10.513 6.017 -6.045) 13.537 13.677 ( -14.813 -9.845 3.483) 18.124 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -29.175 0.000 0.000) 29.175 1.063 ( -30.976 0.000 0.000) 30.976 1.860 ( -51.287 0.000 0.000) 51.287 2.463 ( -13.871 0.000 0.000) 13.871 2.583 ( -8.491 0.000 0.000) 8.491 2.694 ( -8.166 0.000 0.000) 8.166 2.961 ( -10.422 0.000 0.000) 10.422 3.373 ( -2.444 0.000 0.000) 2.444 3.604 ( -12.931 0.000 0.000) 12.931 3.974 ( 5.224 -0.000 -0.000) 5.224 4.282 ( -9.991 0.000 0.000) 9.991 5.421 ( 5.438 -0.000 -0.000) 5.438 7.393 ( -1.883 0.000 0.000) 1.883 8.466 ( -3.772 0.000 0.000) 3.772 8.685 ( 14.498 -0.000 -0.000) 14.498 8.742 ( -2.760 0.000 0.000) 2.760 8.754 ( -1.802 0.000 0.000) 1.802 9.631 ( -5.804 0.000 0.000) 5.804 10.145 ( 6.321 -0.000 -0.000) 6.321 11.186 ( 28.846 -0.000 -0.000) 28.846 11.613 ( 19.230 -0.000 -0.000) 19.230 11.992 ( 1.542 -0.000 -0.000) 1.542 13.225 ( -15.128 0.000 0.000) 15.128 13.327 ( -20.168 0.000 0.000) 20.168 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.000 26.878 4.963) 27.332 1.258 ( -0.000 27.162 13.026) 30.124 2.178 ( -0.000 50.725 5.613) 51.034 2.390 ( 0.000 6.719 -11.424) 13.253 2.721 ( 0.000 17.176 -4.815) 17.838 2.745 ( -0.000 4.421 9.220) 10.225 3.018 ( -0.000 12.101 2.225) 12.304 3.366 ( 0.000 1.663 -1.037) 1.960 3.666 ( 0.000 12.685 -3.296) 13.106 3.937 ( 0.000 -1.237 -3.427) 3.643 4.329 ( 0.000 11.326 -3.424) 11.833 5.369 ( 0.000 -5.932 -4.263) 7.305 7.311 ( 0.000 0.270 -15.510) 15.513 8.473 ( 0.000 3.566 -0.900) 3.678 8.637 ( -0.000 -8.629 3.369) 9.263 8.769 ( -0.000 3.338 0.549) 3.383 8.807 ( -0.000 0.475 8.498) 8.512 9.597 ( 0.000 3.652 -10.963) 11.555 10.104 ( -0.000 -8.380 1.848) 8.582 11.126 ( -0.000 -27.590 17.327) 32.580 11.534 ( 0.000 -15.296 -9.691) 18.107 11.946 ( 0.000 1.286 -1.476) 1.957 13.171 ( -0.000 13.413 1.917) 13.549 13.647 ( -0.000 11.750 19.369) 22.654 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 10.214 23.511 6.239) 26.382 1.628 ( 10.079 25.034 8.062) 28.165 2.474 ( 6.433 5.903 -10.630) 13.756 2.730 ( 6.150 28.227 0.836) 28.901 2.839 ( 1.488 13.936 -1.710) 14.119 2.925 ( 8.930 19.077 6.021) 21.907 3.182 ( 3.914 11.524 4.217) 12.880 3.425 ( 4.311 3.868 -0.587) 5.821 3.800 ( 4.008 7.532 -4.519) 9.655 3.919 ( -1.882 2.989 1.432) 3.811 4.498 ( 5.003 16.970 -6.190) 18.744 5.278 ( -2.408 -6.288 -3.909) 7.786 7.305 ( 2.501 1.556 -15.901) 16.172 8.529 ( 0.162 -0.188 3.180) 3.190 8.552 ( -0.310 -2.845 6.638) 7.228 8.807 ( 0.456 4.007 0.676) 4.089 8.849 ( 0.528 5.106 4.531) 6.847 9.608 ( 1.382 1.110 -12.705) 12.828 10.028 ( 0.241 -7.860 2.082) 8.134 10.825 ( -9.764 -22.522 16.188) 29.404 11.272 ( -9.011 -14.224 -5.075) 17.587 11.975 ( 1.462 0.904 -1.516) 2.292 13.413 ( 12.682 7.090 4.664) 15.260 13.748 ( -4.737 13.193 7.400) 15.850 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 11.005 18.873 5.881) 22.624 2.084 ( 12.588 24.250 2.653) 27.451 2.617 ( 6.830 3.190 -5.922) 9.586 2.915 ( 1.037 8.676 -10.090) 13.348 2.986 ( 2.896 13.492 3.586) 14.258 3.307 ( 6.848 4.356 5.533) 9.823 3.509 ( 14.182 25.423 1.748) 29.163 3.579 ( 6.159 8.858 1.302) 10.867 3.846 ( 0.702 1.379 1.282) 2.010 4.044 ( 7.326 10.890 -1.087) 13.170 4.781 ( 9.126 17.120 -5.254) 20.099 5.164 ( -2.926 -5.229 -2.573) 6.521 7.356 ( 4.601 2.546 -11.377) 12.533 8.441 ( -4.254 -4.906 13.233) 14.741 8.648 ( 3.723 5.466 -0.218) 6.617 8.878 ( 2.928 4.834 -0.965) 5.734 8.944 ( 2.313 7.982 2.966) 8.824 9.609 ( 1.807 -0.829 -11.989) 12.153 9.965 ( -1.819 -3.953 1.925) 4.758 10.475 ( -11.811 -15.735 12.216) 23.159 10.972 ( -8.678 -14.171 -3.612) 17.005 12.017 ( 1.974 2.905 -0.978) 3.646 13.649 ( 4.213 4.152 5.236) 7.900 13.830 ( 3.363 8.406 1.060) 9.115 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 9.784 14.958 3.118) 18.143 2.501 ( 8.187 23.903 -0.592) 25.273 2.735 ( 2.535 6.288 -0.342) 6.789 2.958 ( 0.162 4.117 -8.635) 9.568 3.194 ( 4.852 12.209 1.598) 13.235 3.437 ( 4.701 1.924 4.611) 6.860 3.686 ( -1.301 -1.084 -1.370) 2.178 3.772 ( 4.532 10.563 2.205) 11.703 4.109 ( 11.991 15.213 -4.996) 20.005 4.341 ( 15.094 11.331 5.519) 19.664 5.013 ( -0.794 6.313 -0.931) 6.431 5.160 ( 10.808 3.275 -3.012) 11.688 7.454 ( 5.673 3.129 -5.306) 8.374 8.364 ( -3.250 -3.221 11.135) 12.038 8.761 ( 2.718 6.481 -0.175) 7.030 8.982 ( 3.574 4.792 -0.852) 6.038 9.097 ( 4.969 9.206 1.063) 10.515 9.607 ( 2.058 -1.548 -8.633) 9.009 9.883 ( -6.424 0.226 0.998) 6.505 10.211 ( -6.965 -9.446 8.496) 14.489 10.697 ( -6.488 -13.842 -3.438) 15.669 12.096 ( 2.375 5.989 -0.731) 6.484 13.675 ( -5.026 5.548 1.368) 7.610 14.006 ( 10.474 -1.138 1.916) 10.708 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 5.975 12.327 0.644) 13.714 2.788 ( 1.308 13.539 -3.003) 13.929 2.851 ( 0.351 17.711 2.155) 17.845 2.981 ( -0.151 3.967 -4.134) 5.732 3.363 ( 4.714 4.230 0.170) 6.336 3.534 ( 1.369 5.748 4.820) 7.625 3.640 ( -1.181 -0.584 -2.240) 2.598 3.939 ( 1.324 11.694 1.900) 11.921 4.362 ( 9.000 5.517 -6.062) 12.173 4.674 ( 8.031 5.205 5.170) 10.877 5.080 ( 6.975 6.473 0.011) 9.515 5.411 ( 12.695 2.102 -0.787) 12.892 7.578 ( 5.777 3.312 -0.549) 6.681 8.315 ( -1.593 -2.425 6.556) 7.169 8.861 ( 1.152 7.003 -0.222) 7.100 9.079 ( 2.495 4.565 -0.100) 5.203 9.265 ( 5.085 5.738 -1.125) 7.749 9.608 ( 0.042 0.190 -2.208) 2.217 9.781 ( -4.236 0.408 -1.451) 4.497 10.082 ( -4.705 -1.885 5.220) 7.276 10.481 ( -2.699 -12.562 -2.943) 13.182 12.204 ( 1.109 9.813 -0.625) 9.895 13.629 ( -4.542 2.116 0.108) 5.012 14.143 ( 9.224 -5.652 1.560) 10.930 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -0.078 11.129 -0.901) 11.166 2.861 ( -1.556 6.842 0.232) 7.020 3.012 ( -3.875 13.734 -1.269) 14.327 3.041 ( 0.799 11.536 -1.285) 11.635 3.430 ( 3.030 -2.632 -0.264) 4.022 3.605 ( -0.829 4.389 4.715) 6.495 3.654 ( -0.783 7.906 -1.677) 8.120 4.043 ( -3.272 12.346 0.789) 12.797 4.520 ( 6.731 2.620 -4.411) 8.463 4.747 ( 0.151 -0.579 3.620) 3.669 5.333 ( 12.672 4.671 -0.770) 13.528 5.595 ( 9.487 -3.358 1.495) 10.174 7.700 ( 4.529 2.680 1.704) 5.531 8.288 ( -0.159 -2.273 2.302) 3.239 8.931 ( -0.783 6.761 -0.203) 6.809 9.150 ( 1.018 3.724 0.072) 3.862 9.342 ( 0.384 1.405 -1.663) 2.211 9.605 ( -1.091 1.923 1.718) 2.800 9.773 ( 3.244 -0.567 -2.427) 4.091 10.005 ( -4.873 0.251 2.220) 5.360 10.359 ( 0.207 -7.029 -1.600) 7.212 12.311 ( -2.092 13.460 -0.440) 13.629 13.574 ( -1.812 -2.059 0.128) 2.746 14.218 ( 7.638 -8.404 0.637) 11.374 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -4.386 10.331 -1.442) 11.316 2.887 ( -2.296 5.244 1.156) 5.840 3.057 ( -6.567 13.653 -0.878) 15.176 3.128 ( -1.020 6.898 -0.835) 7.023 3.446 ( 2.869 -3.190 -0.901) 4.384 3.620 ( -3.715 4.815 3.586) 7.060 3.713 ( -3.068 9.609 -0.497) 10.099 4.080 ( -6.594 12.772 -0.132) 14.374 4.627 ( 4.943 0.880 -2.836) 5.767 4.728 ( -1.578 -1.972 3.269) 4.131 5.530 ( 8.304 -1.259 -1.801) 8.590 5.667 ( 4.784 -7.478 2.557) 9.238 7.774 ( 1.359 0.903 1.536) 2.241 8.274 ( 0.841 -2.277 -0.074) 2.429 8.965 ( -2.482 5.991 -0.161) 6.487 9.185 ( -0.492 2.602 0.039) 2.648 9.337 ( -1.994 2.720 0.060) 3.374 9.612 ( 1.006 -1.507 0.226) 1.826 9.831 ( 2.011 2.391 -0.973) 3.272 9.934 ( -0.606 -5.173 0.401) 5.223 10.328 ( -0.126 -0.189 -0.248) 0.336 12.381 ( -6.378 15.082 -0.180) 16.376 13.538 ( 1.436 -4.505 0.645) 4.772 14.245 ( 6.398 -10.039 -0.419) 11.912 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -6.227 8.877 -1.225) 10.913 2.892 ( -3.951 5.236 1.926) 6.836 3.043 ( -7.934 10.311 -2.640) 13.275 3.145 ( -4.710 5.931 1.125) 7.657 3.462 ( 2.426 -3.143 1.106) 4.122 3.588 ( -5.315 4.449 -0.747) 6.971 3.721 ( -6.107 7.708 0.746) 9.862 4.076 ( -8.009 11.907 -0.572) 14.361 4.671 ( -3.250 -2.867 3.215) 5.396 4.692 ( 2.940 -0.207 -1.724) 3.414 5.544 ( -2.411 -7.394 -0.144) 7.779 5.650 ( 3.130 -8.690 0.456) 9.247 7.763 ( -2.463 -1.308 -0.103) 2.791 8.270 ( 1.114 -2.132 -0.583) 2.475 8.965 ( -3.902 5.167 -0.141) 6.477 9.186 ( -2.064 1.763 0.049) 2.715 9.347 ( -0.904 4.156 1.443) 4.491 9.605 ( 0.707 -3.023 -0.852) 3.219 9.839 ( -3.165 1.511 0.035) 3.507 9.924 ( 4.598 -3.633 -0.929) 5.933 10.336 ( 0.914 0.329 0.890) 1.317 12.382 ( -9.641 13.012 0.053) 16.195 13.541 ( 3.210 -3.223 1.211) 4.707 14.239 ( 5.124 -10.838 -1.385) 12.068 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -9.092 5.293 0.338) 10.526 2.848 ( -7.577 6.385 -1.220) 9.983 3.013 ( -4.124 6.159 -0.618) 7.438 3.070 ( -12.999 7.831 1.868) 15.290 3.449 ( -0.652 -4.188 2.691) 5.021 3.551 ( -2.786 2.956 -3.445) 5.326 3.671 ( -6.366 4.905 1.103) 8.111 4.029 ( -9.644 8.860 -1.183) 13.149 4.575 ( -4.829 -4.491 3.302) 7.375 4.713 ( -0.060 -0.316 -1.189) 1.231 5.340 ( -10.877 -9.008 0.349) 14.127 5.581 ( -1.136 -9.919 -0.502) 9.997 7.679 ( -4.597 -2.370 -1.456) 5.373 8.264 ( 0.705 -1.955 -0.625) 2.170 8.932 ( -5.416 4.097 -0.123) 6.792 9.149 ( -3.835 1.032 -0.156) 3.975 9.376 ( -1.278 1.627 3.204) 3.813 9.578 ( -0.369 -0.205 -2.709) 2.741 9.804 ( -0.939 -1.008 1.807) 2.272 9.970 ( 1.280 3.096 -2.596) 4.238 10.384 ( 6.581 -3.229 2.004) 7.599 12.315 ( -10.329 8.288 0.169) 13.244 13.583 ( 2.363 1.016 1.485) 2.970 14.199 ( 3.226 -11.115 -2.039) 11.752 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -14.482 0.263 0.056) 14.485 2.784 ( -7.392 7.249 -2.600) 10.675 2.855 ( -21.352 7.716 1.688) 22.766 3.023 ( -0.864 2.921 2.168) 3.739 3.372 ( -3.870 -5.862 1.696) 7.226 3.487 ( -8.266 4.448 -2.466) 9.706 3.657 ( 1.184 0.799 0.470) 1.504 3.916 ( -11.401 5.228 -1.463) 12.627 4.431 ( -7.424 -5.697 3.736) 10.076 4.621 ( -11.189 -4.523 -2.455) 12.316 5.086 ( -8.319 -2.750 0.922) 8.810 5.413 ( -7.053 -9.861 -0.402) 12.131 7.575 ( -4.398 -1.972 -1.622) 5.085 8.255 ( 0.675 -1.511 -0.924) 1.896 8.861 ( -6.651 2.578 -0.116) 7.134 9.079 ( -5.124 0.463 -0.242) 5.151 9.293 ( -8.139 -2.754 2.616) 8.982 9.619 ( 3.072 3.328 -1.604) 4.805 9.807 ( 0.383 2.543 1.820) 3.151 10.021 ( 2.799 2.262 -2.752) 4.530 10.514 ( 12.516 -4.037 2.200) 13.333 12.208 ( -8.842 3.679 0.119) 9.578 13.637 ( -0.388 5.403 1.234) 5.556 14.118 ( 0.294 -10.981 -2.082) 11.180 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -19.031 -1.269 -0.499) 19.080 2.513 ( -25.862 3.689 0.854) 26.138 2.722 ( -6.048 4.307 -1.990) 7.687 3.041 ( -0.789 1.609 3.437) 3.876 3.192 ( -12.425 -2.771 1.586) 12.828 3.385 ( -5.564 -0.440 -2.893) 6.287 3.694 ( 1.298 0.324 0.053) 1.339 3.750 ( -11.920 2.469 -1.023) 12.216 4.172 ( -25.763 -4.019 4.315) 26.429 4.274 ( -11.752 -6.605 -4.314) 14.154 5.044 ( -2.970 3.808 2.789) 5.577 5.170 ( -8.107 -7.989 -1.436) 11.472 7.495 ( -2.849 -1.001 -0.701) 3.100 8.263 ( 2.148 -0.621 -1.060) 2.475 8.762 ( -7.051 1.063 -0.141) 7.132 8.989 ( -5.664 0.104 -0.182) 5.668 9.106 ( -10.810 -1.807 1.455) 11.056 9.687 ( 2.490 0.117 0.810) 2.621 9.874 ( 1.876 5.486 -0.496) 5.819 10.127 ( 10.093 0.129 -1.286) 10.176 10.728 ( 15.564 -2.189 1.307) 15.772 12.101 ( -6.235 0.871 0.001) 6.295 13.667 ( -3.980 7.034 0.283) 8.087 13.985 ( -3.799 -9.280 -1.099) 10.087 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -23.176 0.000 0.000) 23.176 2.069 ( -28.430 0.000 0.000) 28.430 2.660 ( -3.424 0.000 0.000) 3.424 2.929 ( -16.625 0.000 0.000) 16.625 3.022 ( -3.894 0.000 0.000) 3.894 3.259 ( -9.931 0.000 0.000) 9.931 3.498 ( -31.392 0.000 0.000) 31.392 3.571 ( -10.130 0.000 0.000) 10.130 3.832 ( -0.995 0.000 0.000) 0.995 4.051 ( -12.224 0.000 0.000) 12.224 4.819 ( -18.426 0.000 0.000) 18.426 5.188 ( 6.969 -0.000 -0.000) 6.969 7.453 ( -1.743 0.000 0.000) 1.743 8.323 ( 5.716 -0.000 -0.000) 5.716 8.649 ( -6.662 0.000 0.000) 6.662 8.895 ( -5.326 0.000 0.000) 5.326 8.927 ( -8.889 0.000 0.000) 8.889 9.712 ( 0.424 -0.000 -0.000) 0.424 9.949 ( 3.922 -0.000 -0.000) 3.922 10.370 ( 18.087 -0.000 -0.000) 18.087 10.994 ( 17.026 -0.000 -0.000) 17.026 12.023 ( -3.321 0.000 0.000) 3.321 13.611 ( -7.741 0.000 0.000) 7.741 13.823 ( -8.997 0.000 0.000) 8.997 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -0.000 22.832 5.141) 23.403 1.809 ( -0.000 24.038 10.512) 26.236 2.428 ( 0.000 2.443 -9.214) 9.532 2.913 ( 0.000 11.566 -15.399) 19.259 2.920 ( -0.000 8.869 6.309) 10.883 3.105 ( -0.000 29.996 11.217) 32.024 3.329 ( -0.000 22.071 3.838) 22.402 3.407 ( 0.000 3.217 -1.129) 3.410 3.814 ( 0.000 2.947 -2.239) 3.701 4.007 ( 0.000 10.941 -1.141) 11.000 4.630 ( 0.000 20.520 -6.913) 21.653 5.232 ( 0.000 -5.616 -2.592) 6.185 7.271 ( 0.000 3.163 -14.996) 15.326 8.531 ( -0.000 -5.076 9.967) 11.185 8.549 ( 0.000 4.615 -1.071) 4.738 8.848 ( -0.000 4.348 0.740) 4.410 8.913 ( -0.000 6.371 7.111) 9.548 9.579 ( 0.000 0.785 -14.208) 14.230 9.924 ( -0.000 -10.760 2.354) 11.015 10.719 ( -0.000 -21.349 17.090) 27.347 11.219 ( 0.000 -13.710 -5.544) 14.789 11.968 ( 0.000 1.674 -1.803) 2.460 13.384 ( -0.000 7.237 4.760) 8.662 13.927 ( -0.000 11.432 5.006) 12.480 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 8.159 19.714 5.534) 22.042 2.119 ( 8.233 21.800 6.663) 24.237 2.498 ( 7.379 2.224 -6.538) 10.107 2.951 ( -0.111 5.101 -12.765) 13.747 3.069 ( 4.683 10.644 4.075) 12.322 3.312 ( -0.344 8.429 5.768) 10.219 3.528 ( 7.989 6.869 0.954) 10.579 3.613 ( 2.943 19.287 0.601) 19.520 3.879 ( 1.959 13.856 2.352) 14.190 4.120 ( -0.263 13.797 -2.555) 14.034 4.843 ( 3.571 18.510 -6.203) 19.846 5.167 ( -2.410 -2.124 -0.391) 3.236 7.304 ( 2.576 4.690 -10.609) 11.882 8.486 ( -2.780 -3.681 10.535) 11.501 8.628 ( 3.749 4.932 -0.898) 6.260 8.898 ( 0.738 4.826 0.643) 4.925 9.010 ( 1.018 9.027 5.931) 10.849 9.557 ( 0.519 -0.044 -13.429) 13.439 9.863 ( 4.247 -9.745 2.105) 10.836 10.504 ( -6.830 -16.618 13.111) 22.242 10.998 ( -8.536 -12.051 -4.074) 15.319 12.003 ( 2.299 2.454 -1.515) 3.688 13.531 ( 8.297 3.509 3.986) 9.851 13.995 ( -4.912 10.055 2.012) 11.370 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 7.510 16.100 4.521) 18.332 2.531 ( 14.019 19.765 1.752) 24.295 2.667 ( 9.137 4.284 -3.567) 10.703 2.969 ( 1.109 2.947 -10.210) 10.684 3.279 ( 3.157 12.910 5.139) 14.250 3.381 ( 3.472 2.231 2.606) 4.881 3.683 ( -0.234 -1.455 -1.369) 2.011 3.752 ( 8.776 8.416 1.241) 12.222 4.143 ( 2.534 18.247 -5.389) 19.195 4.311 ( 6.734 18.575 5.972) 20.641 5.045 ( 5.734 3.657 -3.104) 7.476 5.136 ( -3.474 11.003 0.102) 11.539 7.397 ( 4.333 5.477 -5.297) 8.765 8.416 ( -3.780 -3.241 9.645) 10.854 8.754 ( 4.963 5.506 -0.596) 7.437 8.974 ( 2.446 5.095 -0.216) 5.656 9.146 ( 2.046 10.657 4.184) 11.631 9.540 ( 1.382 -1.027 -10.164) 10.309 9.874 ( 4.681 -5.749 0.907) 7.469 10.254 ( -8.094 -11.359 8.342) 16.252 10.716 ( -10.246 -10.756 -2.930) 15.142 12.092 ( 4.260 5.116 -0.901) 6.718 13.696 ( 7.272 -0.226 2.156) 7.588 13.984 ( -5.620 6.516 1.038) 8.667 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 6.770 12.892 1.941) 14.691 2.831 ( 4.710 4.664 -2.093) 6.951 2.935 ( 10.078 17.702 -1.485) 20.424 3.030 ( 3.899 7.439 -5.622) 10.106 3.363 ( -1.560 3.336 6.273) 7.274 3.526 ( 4.617 3.754 0.532) 5.974 3.673 ( 1.224 3.456 -1.052) 3.814 3.977 ( 6.757 9.390 0.940) 11.607 4.295 ( 4.003 8.145 -5.592) 10.660 4.632 ( 7.562 12.893 5.543) 15.942 5.088 ( 0.886 3.915 0.381) 4.032 5.279 ( 5.027 7.784 -0.833) 9.304 7.525 ( 5.065 5.535 -0.876) 7.554 8.343 ( -3.119 -3.116 6.480) 7.838 8.888 ( 3.880 6.406 -0.259) 7.494 9.071 ( 3.259 4.463 -0.602) 5.559 9.281 ( 1.408 8.397 1.485) 8.643 9.551 ( 3.278 -1.060 -4.653) 5.790 9.852 ( -3.860 -3.572 0.110) 5.260 10.121 ( 0.934 -2.869 4.237) 5.202 10.442 ( -9.014 -10.405 -2.380) 13.971 12.240 ( 5.196 8.844 -0.434) 10.267 13.742 ( -2.839 0.766 -0.504) 2.984 13.972 ( 2.189 -2.514 1.974) 3.874 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 4.178 10.290 -0.519) 11.118 2.909 ( 1.430 2.836 -0.528) 3.219 3.114 ( 0.808 10.785 -2.684) 11.143 3.267 ( 2.368 18.080 -3.811) 18.628 3.365 ( -0.527 -1.177 4.967) 5.132 3.572 ( 3.356 -0.639 1.679) 3.806 3.801 ( 0.945 13.134 0.220) 13.170 4.152 ( 2.844 9.079 0.378) 9.521 4.434 ( 6.234 4.558 -3.979) 8.687 4.781 ( -0.489 4.597 3.592) 5.854 5.211 ( 6.757 6.021 -0.338) 9.057 5.413 ( 7.214 -1.910 1.386) 7.590 7.662 ( 4.572 4.972 1.937) 7.027 8.281 ( -1.686 -3.338 2.517) 4.508 9.000 ( 1.367 7.142 -0.136) 7.273 9.158 ( 2.405 3.412 -0.457) 4.200 9.350 ( 0.184 3.600 -1.438) 3.881 9.609 ( 3.704 0.168 1.596) 4.037 9.728 ( -3.784 -4.410 -0.564) 5.838 10.159 ( -7.747 4.851 0.969) 9.191 10.242 ( 4.087 -8.567 -1.834) 9.668 12.428 ( 4.066 13.087 -0.102) 13.705 13.644 ( -7.514 -0.329 -0.848) 7.569 13.998 ( 6.706 -9.562 1.327) 11.754 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -0.621 6.784 -4.218) 8.013 2.961 ( 0.694 4.373 3.878) 5.886 3.210 ( -1.377 10.776 -1.854) 11.020 3.343 ( -6.785 9.394 1.244) 11.655 3.363 ( 2.168 -2.607 -1.908) 3.890 3.685 ( 2.615 8.373 2.196) 9.042 3.914 ( -3.763 14.379 0.816) 14.886 4.252 ( -0.453 7.593 -0.092) 7.607 4.562 ( 4.652 3.869 -3.682) 7.083 4.778 ( -4.109 3.159 3.585) 6.302 5.368 ( 7.963 -0.771 -1.296) 8.105 5.488 ( 6.987 -8.336 2.541) 11.170 7.770 ( 2.122 3.562 2.915) 5.069 8.235 ( 0.150 -3.588 -0.597) 3.641 9.068 ( -1.604 7.106 -0.190) 7.288 9.211 ( 0.614 2.424 -0.175) 2.507 9.375 ( 0.250 2.395 -1.270) 2.722 9.605 ( -2.491 -2.557 3.018) 4.675 9.721 ( 5.943 -2.702 -0.475) 6.546 9.996 ( -6.717 -3.684 -1.678) 7.843 10.328 ( 2.557 4.814 -0.160) 5.454 12.610 ( -0.732 16.948 0.015) 16.964 13.512 ( -4.552 -3.953 0.081) 6.029 14.010 ( 7.473 -12.858 -0.004) 14.872 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -2.499 4.088 -3.435) 5.895 3.010 ( -2.483 5.565 4.791) 7.751 3.256 ( -2.943 5.530 -3.394) 7.125 3.304 ( -7.850 9.918 -0.491) 12.658 3.380 ( 3.659 -2.599 0.594) 4.527 3.753 ( -5.771 8.339 1.119) 10.203 3.954 ( -7.876 13.445 0.890) 15.608 4.285 ( -3.793 6.440 -0.318) 7.481 4.650 ( 2.353 2.902 -3.295) 4.982 4.734 ( -4.928 2.595 4.271) 7.019 5.444 ( 5.577 -6.800 -1.937) 9.005 5.493 ( 3.934 -10.854 2.541) 11.822 7.800 ( -2.004 1.053 1.758) 2.867 8.218 ( 1.819 -2.934 -1.432) 3.738 9.087 ( -3.661 6.389 -0.262) 7.368 9.229 ( -0.863 1.712 0.187) 1.927 9.405 ( -0.270 3.800 0.454) 3.836 9.557 ( 0.175 -3.980 1.379) 4.215 9.773 ( 3.416 -6.217 -0.395) 7.105 9.906 ( -0.165 1.241 -1.513) 1.964 10.379 ( -2.167 4.417 0.214) 4.925 12.694 ( -9.442 16.097 -0.234) 18.663 13.453 ( 2.694 -3.583 1.446) 4.710 14.003 ( 7.588 -14.083 -1.248) 16.046 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -3.590 2.498 -1.716) 4.698 2.988 ( -6.500 3.466 2.971) 7.943 3.213 ( -7.112 7.177 -1.487) 10.213 3.285 ( -3.807 5.233 -2.484) 6.932 3.432 ( 2.905 0.145 2.071) 3.571 3.653 ( -12.115 3.066 -0.070) 12.498 3.917 ( -10.288 10.110 0.913) 14.453 4.248 ( -7.115 5.073 -0.467) 8.751 4.612 ( -4.246 -4.174 -0.149) 5.955 4.746 ( -1.473 6.747 1.593) 7.088 5.386 ( -3.772 -7.537 -0.281) 8.433 5.453 ( 3.824 -10.925 0.146) 11.576 7.740 ( -4.799 -0.869 -0.027) 4.877 8.225 ( 1.707 -1.834 -0.796) 2.629 9.068 ( -5.255 4.942 -0.184) 7.216 9.214 ( -2.560 0.963 -0.050) 2.735 9.434 ( -1.578 3.063 4.161) 5.402 9.540 ( 1.823 -2.070 -3.339) 4.330 9.737 ( 2.118 -6.916 0.857) 7.284 9.993 ( 4.842 5.700 -1.899) 7.717 10.343 ( -4.319 -0.157 1.140) 4.470 12.607 ( -14.028 8.735 -0.268) 16.527 13.536 ( 5.752 3.066 2.235) 6.891 13.987 ( 6.870 -13.628 -2.111) 15.407 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -10.908 0.646 0.091) 10.928 2.916 ( -3.991 1.562 -0.208) 4.291 3.150 ( -8.383 5.907 0.827) 10.288 3.253 ( -8.471 7.826 -3.873) 12.166 3.383 ( -10.695 -4.047 4.985) 12.475 3.531 ( 2.431 -1.601 -1.961) 3.510 3.806 ( -11.691 5.277 0.589) 12.840 4.141 ( -10.129 3.064 -0.515) 10.595 4.485 ( -5.170 -4.417 0.282) 6.806 4.749 ( -5.540 2.811 0.623) 6.243 5.213 ( -9.020 -3.114 0.119) 9.543 5.391 ( -0.588 -7.400 -0.363) 7.433 7.641 ( -5.370 -0.938 -0.576) 5.482 8.231 ( 0.799 -0.929 -0.355) 1.276 9.002 ( -6.784 2.391 -0.046) 7.193 9.162 ( -4.138 0.375 -0.229) 4.161 9.395 ( -5.345 -0.573 2.498) 5.927 9.578 ( 3.406 1.293 -3.000) 4.719 9.747 ( 4.858 -3.330 2.115) 6.258 10.113 ( -2.833 9.907 -3.217) 10.794 10.290 ( 6.231 -7.212 2.607) 9.881 12.428 ( -13.032 2.884 -0.089) 13.348 13.676 ( 3.363 6.994 1.989) 8.011 13.960 ( 4.854 -10.982 -2.105) 12.190 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -15.636 0.000 0.000) 15.636 2.849 ( -6.089 0.000 0.000) 6.089 2.962 ( -22.918 0.000 0.000) 22.918 3.087 ( -4.716 0.000 0.000) 4.716 3.287 ( -2.198 0.000 0.000) 2.198 3.520 ( -6.619 0.000 0.000) 6.619 3.683 ( -2.534 0.000 0.000) 2.534 3.967 ( -11.952 0.000 0.000) 11.952 4.366 ( -6.512 0.000 0.000) 6.512 4.566 ( -18.020 0.000 0.000) 18.020 5.086 ( -3.437 0.000 0.000) 3.437 5.287 ( -7.434 0.000 0.000) 7.434 7.551 ( -4.415 0.000 0.000) 4.415 8.237 ( 0.718 -0.000 -0.000) 0.718 8.891 ( -7.400 0.000 0.000) 7.400 9.083 ( -5.302 0.000 0.000) 5.302 9.270 ( -9.007 0.000 0.000) 9.007 9.640 ( 3.289 -0.000 -0.000) 3.289 9.836 ( 5.999 -0.000 -0.000) 5.999 10.066 ( -3.039 0.000 0.000) 3.039 10.462 ( 14.376 -0.000 -0.000) 14.376 12.244 ( -9.992 0.000 0.000) 9.992 13.749 ( -0.423 0.000 0.000) 0.423 13.948 ( 1.255 -0.000 -0.000) 1.255 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -0.000 17.862 5.028) 18.556 2.284 ( -0.000 20.597 8.141) 22.147 2.429 ( 0.000 1.263 -5.250) 5.400 2.960 ( 0.000 1.977 -13.641) 13.783 3.100 ( -0.000 7.074 1.324) 7.197 3.460 ( -0.000 9.245 7.549) 11.936 3.489 ( -0.000 5.620 -0.115) 5.621 3.688 ( 0.000 1.887 -1.338) 2.313 4.098 ( -0.000 28.695 1.081) 28.715 4.262 ( 0.000 15.448 -0.823) 15.470 4.950 ( 0.000 10.307 -5.037) 11.472 5.219 ( -0.000 8.859 1.022) 8.918 7.320 ( 0.000 6.789 -7.047) 9.785 8.500 ( -0.000 -2.825 7.769) 8.266 8.639 ( 0.000 4.902 -0.988) 5.001 8.939 ( -0.000 4.583 0.812) 4.655 9.111 ( -0.000 10.431 7.512) 12.854 9.529 ( 0.000 0.736 -13.085) 13.106 9.716 ( -0.000 -11.390 2.399) 11.639 10.438 ( -0.000 -14.028 10.747) 17.671 10.949 ( 0.000 -12.027 -3.679) 12.578 11.995 ( 0.000 1.865 -1.779) 2.577 13.512 ( -0.000 4.564 3.419) 5.703 14.133 ( -0.000 8.345 1.122) 8.420 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 7.532 15.093 4.528) 17.465 2.479 ( 6.814 6.869 -1.118) 9.740 2.571 ( 8.376 13.149 3.050) 15.886 2.943 ( 0.636 0.278 -11.555) 11.576 3.236 ( 8.273 5.686 -0.766) 10.068 3.472 ( -3.861 6.377 5.262) 9.125 3.656 ( 4.406 1.565 -1.014) 4.784 3.692 ( 3.535 3.399 1.605) 5.160 4.300 ( -1.606 15.116 -7.459) 16.932 4.469 ( 1.466 22.403 7.453) 23.655 5.021 ( 1.361 4.675 -1.691) 5.154 5.326 ( -2.707 15.766 0.146) 15.997 7.399 ( 2.006 7.895 -3.000) 8.681 8.461 ( -2.813 -2.998 5.977) 7.254 8.720 ( 4.023 4.720 -0.827) 6.257 8.994 ( 1.114 4.643 0.622) 4.815 9.243 ( 0.827 11.654 6.412) 13.327 9.503 ( -0.386 -0.344 -9.608) 9.622 9.684 ( 7.417 -8.627 0.799) 11.405 10.285 ( -5.711 -10.698 6.969) 13.987 10.765 ( -7.056 -10.344 -2.882) 12.849 12.052 ( 4.534 3.031 -1.354) 5.619 13.597 ( 4.272 2.118 2.359) 5.320 14.161 ( -5.380 6.548 0.469) 8.488 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 5.688 12.410 3.254) 14.033 2.716 ( 12.804 4.038 -2.342) 13.628 2.884 ( 11.743 13.030 0.716) 17.555 2.962 ( 4.825 0.918 -7.083) 8.619 3.432 ( 5.357 2.897 0.368) 6.101 3.497 ( 0.240 5.841 3.665) 6.900 3.651 ( 1.717 0.644 -0.086) 1.836 3.906 ( 10.321 6.562 0.901) 12.263 4.369 ( -2.175 10.222 -6.011) 12.056 4.692 ( 2.323 11.982 6.102) 13.645 5.102 ( 1.513 8.051 -0.494) 8.207 5.408 ( -4.703 13.064 0.370) 13.889 7.520 ( 3.224 7.902 0.278) 8.539 8.382 ( -3.758 -3.481 3.935) 6.460 8.851 ( 6.030 4.496 -0.530) 7.540 9.069 ( 2.167 4.502 0.140) 4.998 9.370 ( -0.451 9.560 2.843) 9.984 9.486 ( 1.793 -1.151 -3.221) 3.862 9.773 ( 8.684 -3.630 -1.691) 9.563 10.097 ( -5.651 -7.758 3.863) 10.346 10.527 ( -9.460 -7.457 -1.906) 12.195 12.200 ( 7.917 6.048 -0.694) 9.987 13.678 ( 4.234 -1.916 0.904) 4.734 14.088 ( -9.086 3.914 0.536) 9.907 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 5.068 9.484 1.118) 10.811 2.883 ( 4.089 2.960 -2.213) 5.511 3.108 ( 10.034 5.620 -3.819) 12.118 3.195 ( 10.540 4.360 -0.263) 11.410 3.484 ( -1.695 6.545 2.675) 7.271 3.527 ( 1.455 0.703 1.446) 2.169 3.822 ( 9.114 8.434 0.476) 12.427 4.139 ( 8.472 6.818 0.341) 10.880 4.419 ( 0.074 6.924 -3.897) 7.946 4.814 ( 2.783 3.595 3.508) 5.743 5.213 ( 1.334 8.375 -0.529) 8.498 5.418 ( -5.310 5.958 1.582) 8.136 7.656 ( 3.659 7.245 2.545) 8.506 8.291 ( -3.247 -4.050 1.255) 5.340 8.997 ( 5.846 4.542 -0.199) 7.406 9.148 ( 2.222 3.610 -0.297) 4.250 9.404 ( -1.921 3.446 -2.422) 4.630 9.544 ( 3.715 1.384 3.643) 5.384 9.782 ( -4.858 -2.630 -0.808) 5.583 10.054 ( 7.323 -6.630 -0.319) 9.883 10.323 ( -7.907 -0.300 -0.690) 7.943 12.426 ( 9.395 9.900 -0.107) 13.649 13.696 ( 1.407 -4.646 -0.971) 4.951 13.945 ( -9.248 -0.958 1.402) 9.402 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 2.969 2.180 -0.101) 3.685 2.973 ( 1.987 8.088 -1.448) 8.453 3.277 ( 2.360 0.120 0.857) 2.514 3.300 ( 3.521 3.359 -1.997) 5.260 3.472 ( -1.428 0.784 1.308) 2.089 3.715 ( 6.895 12.618 1.053) 14.417 4.040 ( 5.309 10.368 0.599) 11.663 4.289 ( 1.705 5.358 -0.777) 5.676 4.510 ( 4.884 4.609 -1.956) 6.994 4.893 ( 0.789 5.214 1.773) 5.564 5.285 ( 1.312 1.243 -0.508) 1.877 5.364 ( -2.481 -3.141 2.216) 4.575 7.786 ( 2.632 6.292 3.906) 7.860 8.203 ( -1.748 -4.817 -1.494) 5.337 9.125 ( 3.306 5.223 0.127) 6.182 9.207 ( 1.615 2.114 -0.665) 2.742 9.395 ( -1.030 1.614 -1.635) 2.518 9.624 ( 3.084 -0.226 0.742) 3.180 9.659 ( -4.950 -1.516 3.556) 6.280 10.007 ( -2.165 -9.409 -2.900) 10.081 10.343 ( 3.044 7.804 -0.010) 8.377 12.698 ( 8.523 14.026 0.353) 16.416 13.613 ( -7.310 -2.419 -1.936) 7.940 13.800 ( -0.486 -10.626 1.696) 10.772 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( -1.978 4.243 -2.587) 5.349 3.063 ( 2.327 3.554 2.538) 4.949 3.294 ( 1.484 -2.692 0.665) 3.145 3.322 ( -1.224 0.637 -1.523) 2.055 3.489 ( -2.484 6.836 0.066) 7.274 3.891 ( 0.425 8.591 0.274) 8.606 4.195 ( -2.011 12.770 0.749) 12.949 4.319 ( 0.333 0.335 -0.163) 0.500 4.637 ( 3.940 5.018 -2.230) 6.759 4.925 ( -6.952 9.974 2.245) 12.363 5.276 ( 3.230 -8.970 0.784) 9.566 5.321 ( 3.870 -8.161 0.152) 9.033 7.862 ( -1.535 4.160 3.623) 5.726 8.147 ( 1.611 -4.351 -2.740) 5.389 9.196 ( -1.498 5.736 -0.102) 5.929 9.243 ( 0.974 0.978 -0.008) 1.381 9.410 ( 1.898 1.370 -1.568) 2.817 9.551 ( -3.159 -3.319 2.299) 5.127 9.694 ( 1.629 -0.665 2.061) 2.710 9.892 ( -0.780 -4.503 -2.703) 5.309 10.453 ( 0.576 5.893 -0.171) 5.923 12.953 ( 0.975 17.511 0.190) 17.539 13.438 ( -6.614 -3.216 0.353) 7.363 13.729 ( 6.352 -15.279 -0.524) 16.555 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( -3.439 1.640 -1.335) 4.037 3.127 ( -2.441 4.600 4.375) 6.802 3.230 ( -0.632 -3.717 -4.092) 5.564 3.366 ( 3.985 -0.031 1.033) 4.117 3.473 ( -7.007 5.522 -0.661) 8.945 3.888 ( -8.231 3.906 0.172) 9.112 4.175 ( -9.346 6.143 -0.433) 11.193 4.346 ( -0.670 2.130 1.354) 2.612 4.659 ( -4.809 -0.309 -1.340) 5.002 4.909 ( -6.261 10.662 1.583) 12.466 5.251 ( 5.983 -10.443 -0.439) 12.044 5.325 ( 3.773 -5.753 0.325) 6.888 7.826 ( -5.273 0.696 0.989) 5.410 8.163 ( 3.401 -1.565 -1.028) 3.883 9.193 ( -4.140 3.749 -0.259) 5.591 9.251 ( -1.050 0.484 0.272) 1.187 9.471 ( 3.394 1.645 -3.277) 4.997 9.495 ( -1.259 -1.682 4.865) 5.300 9.664 ( -1.069 -3.862 -0.823) 4.091 9.918 ( 5.618 0.469 -0.684) 5.679 10.457 ( -5.009 2.504 0.070) 5.600 12.942 ( -15.807 7.405 -0.457) 17.462 13.472 ( 7.548 6.262 2.490) 10.119 13.707 ( 8.672 -14.756 -2.060) 17.239 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( -3.580 0.000 0.000) 3.580 3.033 ( -8.720 0.000 0.000) 8.720 3.254 ( 3.100 -0.000 -0.000) 3.100 3.352 ( -9.996 0.000 0.000) 9.996 3.443 ( 4.703 -0.000 -0.000) 4.703 3.691 ( -16.725 0.000 0.000) 16.725 4.034 ( -11.115 0.000 0.000) 11.115 4.299 ( -6.427 0.000 0.000) 6.427 4.547 ( -5.537 0.000 0.000) 5.537 4.865 ( -5.766 0.000 0.000) 5.766 5.304 ( 5.544 -0.000 -0.000) 5.544 5.305 ( -3.278 0.000 0.000) 3.278 7.731 ( -5.819 0.000 0.000) 5.819 8.203 ( 2.032 -0.000 -0.000) 2.032 9.125 ( -6.018 0.000 0.000) 6.018 9.221 ( -2.654 0.000 0.000) 2.654 9.467 ( -2.703 0.000 0.000) 2.703 9.529 ( 2.657 -0.000 -0.000) 2.657 9.652 ( 3.317 -0.000 -0.000) 3.317 10.052 ( 9.393 -0.000 -0.000) 9.393 10.342 ( -9.191 0.000 0.000) 9.191 12.692 ( -16.110 0.000 0.000) 16.110 13.658 ( 5.076 -0.000 -0.000) 5.076 13.759 ( 9.639 -0.000 -0.000) 9.639 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 0.000 5.845 -1.006) 5.931 2.473 ( -0.000 8.065 3.274) 8.704 2.678 ( -0.000 16.449 4.392) 17.025 2.910 ( 0.000 -0.658 -10.365) 10.386 3.201 ( 0.000 3.778 -2.166) 4.355 3.587 ( -0.000 1.021 1.655) 1.944 3.615 ( -0.000 6.525 0.909) 6.588 3.687 ( -0.000 0.688 2.773) 2.857 4.427 ( 0.000 11.199 -7.019) 13.216 4.669 ( -0.000 14.889 7.241) 16.557 5.085 ( 0.000 11.448 -0.918) 11.485 5.508 ( -0.000 15.646 0.307) 15.649 7.464 ( -0.000 9.219 -0.368) 9.227 8.467 ( -0.000 -3.105 2.947) 4.281 8.726 ( 0.000 4.328 -0.713) 4.386 9.028 ( -0.000 3.992 0.755) 4.063 9.368 ( -0.000 12.151 6.695) 13.873 9.507 ( 0.000 2.026 -8.877) 9.106 9.513 ( -0.000 -10.109 1.965) 10.298 10.253 ( -0.000 -8.597 4.547) 9.725 10.718 ( 0.000 -10.301 -2.567) 10.616 12.024 ( 0.000 1.774 -1.457) 2.296 13.601 ( -0.000 3.444 2.004) 3.985 14.267 ( -0.000 5.214 0.146) 5.216 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 11.180 2.067 -1.842) 11.517 2.635 ( 5.977 10.192 4.222) 12.547 2.834 ( 4.033 4.396 -7.707) 9.746 2.924 ( 1.746 6.990 1.868) 7.443 3.312 ( 9.054 3.570 -1.833) 9.903 3.563 ( -1.913 0.143 0.512) 1.985 3.660 ( -0.750 2.256 2.411) 3.386 3.793 ( 8.488 3.797 1.694) 9.452 4.492 ( -2.056 8.891 -5.454) 10.631 4.773 ( -0.112 4.651 5.756) 7.401 5.220 ( -0.734 15.924 -0.820) 15.962 5.617 ( -3.876 12.603 0.855) 13.213 7.568 ( 1.316 9.142 1.598) 9.373 8.412 ( -2.940 -3.536 1.222) 4.758 8.799 ( 4.001 3.619 -0.525) 5.420 9.079 ( 1.468 3.623 0.526) 3.945 9.435 ( 0.635 -4.281 -2.287) 4.895 9.485 ( 0.030 7.592 5.439) 9.340 9.588 ( 7.415 1.910 -2.650) 8.103 10.140 ( -5.365 -6.293 2.196) 8.556 10.571 ( -5.083 -8.482 -1.981) 10.085 12.104 ( 7.274 2.683 -1.016) 7.820 13.640 ( 0.572 1.509 1.274) 2.056 14.260 ( -5.860 3.711 0.080) 6.937 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 10.782 2.775 -0.366) 11.140 2.847 ( 7.576 8.188 0.437) 11.164 2.919 ( 9.628 -0.421 -4.825) 10.777 3.084 ( 7.008 5.315 0.806) 8.832 3.498 ( 3.073 1.671 0.055) 3.498 3.547 ( 2.522 3.176 1.619) 4.367 3.723 ( 6.593 3.521 1.938) 7.722 4.009 ( 12.010 3.615 0.293) 12.546 4.515 ( -2.906 7.006 -3.972) 8.561 4.805 ( 0.622 0.289 3.731) 3.793 5.333 ( -2.630 12.532 -0.890) 12.835 5.621 ( -7.916 8.127 1.498) 11.444 7.689 ( 2.281 8.142 2.870) 8.929 8.315 ( -4.080 -4.026 -0.242) 5.737 8.920 ( 6.430 2.659 -0.330) 6.966 9.145 ( 2.211 3.126 0.215) 3.835 9.419 ( 0.884 -1.486 -2.729) 3.231 9.557 ( 0.924 4.097 5.712) 7.090 9.742 ( 7.273 1.778 -2.983) 8.060 9.980 ( -6.210 -5.259 1.174) 8.222 10.410 ( -5.138 -3.986 -1.220) 6.616 12.309 ( 12.390 4.975 -0.436) 13.358 13.640 ( -0.585 -2.000 0.354) 2.114 14.146 ( -10.867 1.899 0.265) 11.034 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 5.438 0.942 -0.930) 5.597 3.012 ( 3.005 7.563 -0.558) 8.157 3.168 ( 14.651 1.316 -0.257) 14.712 3.208 ( 5.114 -0.933 -0.657) 5.240 3.478 ( -1.027 -1.476 1.053) 2.084 3.701 ( 6.585 8.338 1.151) 10.687 3.948 ( 12.543 3.967 0.494) 13.165 4.242 ( 10.066 3.539 0.140) 10.671 4.527 ( -1.248 5.281 -2.611) 6.022 4.840 ( 4.149 -1.033 1.861) 4.663 5.360 ( -4.889 5.951 -0.613) 7.726 5.516 ( -11.249 3.224 1.604) 11.812 7.814 ( 2.933 6.965 3.680) 8.406 8.201 ( -4.042 -4.733 -1.884) 6.503 9.057 ( 7.145 1.793 -0.164) 7.368 9.207 ( 1.721 2.426 0.004) 2.975 9.413 ( -0.187 -0.221 -1.862) 1.885 9.624 ( 0.725 4.194 4.059) 5.882 9.750 ( -6.063 -0.768 0.289) 6.118 9.896 ( 2.729 -7.670 -2.293) 8.458 10.362 ( 1.123 2.717 -0.397) 2.967 12.603 ( 14.853 7.490 0.083) 16.635 13.587 ( -1.162 -5.161 -0.615) 5.326 13.938 ( -14.471 -0.342 0.619) 14.489 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 5.510 1.236 0.264) 5.653 3.086 ( -1.443 3.777 -2.114) 4.563 3.231 ( 3.201 -2.126 2.521) 4.596 3.346 ( 0.817 0.335 -1.494) 1.735 3.497 ( 5.018 1.265 0.652) 5.216 3.898 ( 6.545 4.950 0.101) 8.207 4.176 ( 9.837 3.011 0.699) 10.311 4.363 ( 0.423 2.431 -0.789) 2.591 4.595 ( 4.778 3.872 -0.963) 6.225 4.962 ( 10.066 0.805 0.764) 10.127 5.277 ( -8.450 -0.362 0.952) 8.511 5.329 ( -11.073 -1.335 -0.100) 11.154 7.933 ( 1.644 6.551 4.526) 8.130 8.085 ( -2.246 -5.957 -3.799) 7.413 9.185 ( 5.974 1.039 0.046) 6.063 9.247 ( 0.592 1.846 -0.159) 1.945 9.401 ( -0.443 -0.076 -0.752) 0.876 9.607 ( -5.816 -0.280 -0.948) 5.900 9.707 ( -0.015 2.831 5.725) 6.386 9.836 ( 0.164 -6.249 -3.909) 7.372 10.454 ( 4.296 3.124 -0.173) 5.315 12.941 ( 15.110 8.797 0.425) 17.490 13.515 ( -0.278 -5.649 -1.554) 5.865 13.663 ( -15.901 -3.041 1.158) 16.230 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -4.158 0.000 0.000) 4.158 3.097 ( 5.746 -0.000 -0.000) 5.746 3.286 ( -5.489 0.000 0.000) 5.489 3.295 ( 4.260 -0.000 -0.000) 4.260 3.567 ( -0.205 0.000 0.000) 0.205 3.976 ( -0.149 0.000 0.000) 0.149 4.314 ( 0.416 -0.000 -0.000) 0.416 4.334 ( -0.794 0.000 0.000) 0.794 4.709 ( 2.791 -0.000 -0.000) 2.791 5.123 ( -9.054 0.000 0.000) 9.054 5.142 ( -5.023 0.000 0.000) 5.023 5.164 ( 10.602 -0.000 -0.000) 10.602 7.930 ( -5.915 0.000 0.000) 5.915 8.079 ( 5.050 -0.000 -0.000) 5.050 9.251 ( 0.355 -0.000 -0.000) 0.355 9.264 ( -0.047 0.000 0.000) 0.047 9.412 ( 2.552 -0.000 -0.000) 2.552 9.523 ( -3.114 0.000 0.000) 3.114 9.696 ( -3.466 0.000 0.000) 3.466 9.835 ( 3.805 -0.000 -0.000) 3.805 10.514 ( 0.206 -0.000 -0.000) 0.206 13.202 ( 0.031 -0.000 -0.000) 0.031 13.411 ( -2.827 0.000 0.000) 2.827 13.497 ( 2.815 -0.000 -0.000) 2.815 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 0.000 1.059 -1.535) 1.865 2.673 ( -0.000 7.595 4.444) 8.800 2.791 ( 0.000 -1.116 -10.567) 10.625 3.032 ( -0.000 11.922 6.354) 13.510 3.242 ( 0.000 1.826 -2.924) 3.447 3.567 ( 0.000 -1.588 -0.978) 1.865 3.715 ( -0.000 -0.440 3.785) 3.810 3.731 ( -0.000 4.695 0.845) 4.771 4.576 ( 0.000 6.852 -4.046) 7.957 4.810 ( -0.000 0.810 4.319) 4.394 5.387 ( 0.000 15.596 -1.103) 15.635 5.765 ( -0.000 9.967 1.225) 10.042 7.651 ( -0.000 8.718 2.285) 9.012 8.407 ( 0.000 -3.427 -0.240) 3.435 8.796 ( 0.000 2.942 -0.376) 2.966 9.097 ( -0.000 2.772 0.589) 2.834 9.350 ( -0.000 -7.049 1.176) 7.146 9.507 ( 0.000 2.083 -4.450) 4.913 9.635 ( -0.000 10.505 5.063) 11.662 10.141 ( -0.000 -3.983 0.535) 4.019 10.524 ( 0.000 -8.600 -1.701) 8.767 12.049 ( 0.000 1.302 -0.940) 1.606 13.665 ( -0.000 2.368 1.055) 2.592 14.343 ( -0.000 2.732 -0.024) 2.732 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 12.714 1.254 -0.360) 12.781 2.775 ( 2.838 -0.390 -6.211) 6.840 2.810 ( 6.770 4.099 1.942) 8.149 3.102 ( -1.926 5.649 1.815) 6.238 3.390 ( 11.923 5.012 0.442) 12.941 3.540 ( -0.934 -1.387 -0.097) 1.675 3.704 ( -0.063 0.152 1.872) 1.880 3.852 ( 8.505 2.015 0.468) 8.753 4.609 ( -1.914 4.913 -2.702) 5.925 4.813 ( -0.472 -0.532 2.699) 2.791 5.496 ( -2.384 10.764 -1.136) 11.084 5.808 ( -4.815 6.375 1.343) 8.101 7.742 ( 1.060 6.948 2.393) 7.424 8.343 ( -3.302 -3.219 -0.812) 4.682 8.852 ( 3.769 1.906 -0.227) 4.230 9.137 ( 1.647 2.070 0.316) 2.664 9.339 ( 4.418 -4.127 0.482) 6.065 9.536 ( 2.545 0.983 -1.861) 3.302 9.737 ( 0.252 7.288 3.014) 7.891 10.061 ( -5.879 -2.062 -0.203) 6.233 10.420 ( -2.401 -6.053 -1.216) 6.624 12.143 ( 9.424 1.562 -0.545) 9.568 13.667 ( -2.112 0.862 0.572) 2.351 14.311 ( -6.207 1.624 0.016) 6.416 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 7.006 1.307 0.481) 7.143 2.866 ( 17.220 -0.811 -3.267) 17.546 2.991 ( 8.175 3.652 1.498) 9.078 3.129 ( 1.729 0.299 -0.376) 1.795 3.494 ( -1.689 -0.483 0.246) 1.773 3.666 ( 8.196 5.809 1.925) 10.228 3.749 ( 9.407 -1.496 -0.326) 9.531 4.053 ( 13.057 1.040 0.018) 13.098 4.601 ( -2.718 2.768 -1.514) 4.165 4.804 ( -0.007 -0.755 1.281) 1.487 5.506 ( -5.156 4.845 -0.627) 7.103 5.732 ( -9.525 2.684 0.902) 9.937 7.831 ( 2.419 4.278 1.934) 5.281 8.240 ( -5.041 -2.584 -1.047) 5.761 8.952 ( 6.312 0.818 -0.111) 6.365 9.188 ( 2.384 1.144 0.089) 2.646 9.385 ( 2.909 -0.953 -0.375) 3.084 9.611 ( 5.520 0.677 1.113) 5.672 9.786 ( -0.321 1.963 -0.362) 2.022 9.911 ( -9.041 -1.899 0.117) 9.238 10.357 ( -0.017 -1.159 -0.495) 1.261 12.378 ( 15.758 1.948 -0.150) 15.878 13.612 ( -4.273 -0.852 0.093) 4.358 14.169 ( -11.721 0.543 0.087) 11.734 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 5.827 -0.000 -0.000) 5.827 3.106 ( 3.690 -0.000 -0.000) 3.690 3.161 ( 3.033 -0.000 -0.000) 3.033 3.195 ( 15.827 -0.000 -0.000) 15.827 3.466 ( -0.968 0.000 0.000) 0.968 3.791 ( 7.341 -0.000 -0.000) 7.341 3.984 ( 14.095 -0.000 -0.000) 14.095 4.277 ( 10.888 -0.000 -0.000) 10.888 4.579 ( -0.693 0.000 0.000) 0.693 4.827 ( 4.173 -0.000 -0.000) 4.173 5.418 ( -7.589 0.000 0.000) 7.589 5.552 ( -13.040 0.000 0.000) 13.040 7.912 ( 4.108 -0.000 -0.000) 4.108 8.130 ( -5.856 0.000 0.000) 5.856 9.073 ( 7.305 -0.000 -0.000) 7.305 9.233 ( 1.977 -0.000 -0.000) 1.977 9.405 ( 0.212 -0.000 -0.000) 0.212 9.715 ( 4.179 -0.000 -0.000) 4.179 9.736 ( -8.665 0.000 0.000) 8.665 9.782 ( -0.803 0.000 0.000) 0.803 10.391 ( 3.953 -0.000 -0.000) 3.953 12.683 ( 18.279 -0.000 -0.000) 18.279 13.528 ( -4.154 0.000 0.000) 4.154 13.936 ( -15.808 0.000 0.000) 15.808 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 0.000 0.376 -0.431) 0.572 2.732 ( 0.000 -0.913 -3.953) 4.057 2.787 ( -0.000 2.601 1.800) 3.163 3.237 ( -0.000 5.732 2.705) 6.339 3.254 ( 0.000 0.544 -1.355) 1.460 3.538 ( 0.000 -0.985 -0.054) 0.987 3.704 ( -0.000 -1.116 0.912) 1.441 3.797 ( -0.000 1.657 0.313) 1.687 4.658 ( 0.000 2.587 -1.315) 2.902 4.816 ( -0.000 -0.603 1.317) 1.448 5.597 ( 0.000 5.759 -0.822) 5.817 5.900 ( -0.000 3.333 0.863) 3.443 7.791 ( -0.000 3.987 1.373) 4.217 8.348 ( 0.000 -1.869 -0.589) 1.959 8.834 ( 0.000 1.028 -0.103) 1.034 9.138 ( -0.000 1.147 0.270) 1.178 9.256 ( -0.000 -2.677 0.328) 2.697 9.522 ( 0.000 0.782 -1.418) 1.620 9.805 ( -0.000 4.190 2.395) 4.826 10.108 ( 0.000 0.380 -0.501) 0.629 10.379 ( 0.000 -4.868 -0.751) 4.926 12.065 ( 0.000 0.482 -0.323) 0.580 13.700 ( -0.000 0.863 0.333) 0.925 14.377 ( -0.000 0.835 -0.014) 0.835 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 13.736 -0.000 -0.000) 13.736 2.744 ( 2.496 -0.000 -0.000) 2.496 2.865 ( 7.088 -0.000 -0.000) 7.088 3.154 ( -3.688 0.000 0.000) 3.688 3.464 ( 14.299 -0.000 -0.000) 14.299 3.521 ( -1.363 0.000 0.000) 1.363 3.698 ( 0.083 -0.000 -0.000) 0.083 3.874 ( 7.934 -0.000 -0.000) 7.934 4.653 ( -1.849 0.000 0.000) 1.849 4.809 ( -0.523 0.000 0.000) 0.523 5.600 ( -2.849 0.000 0.000) 2.849 5.873 ( -5.161 0.000 0.000) 5.161 7.823 ( 1.206 -0.000 -0.000) 1.206 8.304 ( -3.681 0.000 0.000) 3.681 8.870 ( 3.629 -0.000 -0.000) 3.629 9.159 ( 1.615 -0.000 -0.000) 1.615 9.297 ( 5.438 -0.000 -0.000) 5.438 9.542 ( 2.290 -0.000 -0.000) 2.290 9.818 ( -1.062 0.000 0.000) 1.062 10.049 ( -6.921 0.000 0.000) 6.921 10.349 ( -0.307 0.000 0.000) 0.307 12.157 ( 10.226 -0.000 -0.000) 10.226 13.677 ( -3.096 0.000 0.000) 3.096 14.327 ( -6.333 0.000 0.000) 6.333 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.172 ( -0.000 0.000 26.429) 26.429 0.172 ( -0.000 0.000 26.429) 26.429 0.402 ( -0.000 0.000 62.863) 62.863 2.199 ( 0.000 -0.000 -5.683) 5.683 2.199 ( 0.000 -0.000 -5.683) 5.683 2.683 ( -0.000 0.000 3.814) 3.814 2.683 ( -0.000 0.000 3.814) 3.814 3.339 ( 0.000 -0.000 -0.393) 0.393 3.339 ( 0.000 -0.000 -0.393) 0.393 4.011 ( 0.000 -0.000 -17.412) 17.412 4.259 ( -0.000 0.000 5.604) 5.604 5.507 ( 0.000 -0.000 -1.697) 1.697 8.403 ( 0.000 -0.000 -0.110) 0.110 8.403 ( 0.000 -0.000 -0.110) 0.110 8.698 ( -0.000 0.000 0.054) 0.054 8.698 ( -0.000 0.000 0.054) 0.054 9.118 ( 0.000 -0.000 -1.713) 1.713 9.366 ( -0.000 0.000 6.453) 6.453 10.272 ( -0.000 0.000 0.695) 0.695 10.272 ( -0.000 0.000 0.695) 0.695 11.924 ( 0.000 -0.000 -0.592) 0.592 11.924 ( 0.000 -0.000 -0.592) 0.592 12.659 ( 0.000 -0.000 -0.112) 0.112 15.731 ( -0.000 0.000 0.778) 0.778 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 24.224 13.986 9.269) 29.467 0.727 ( 22.075 12.745 24.698) 35.492 1.161 ( 44.014 25.411 15.189) 53.044 2.279 ( 7.446 4.299 -6.456) 10.751 2.339 ( 12.860 7.425 -7.948) 16.842 2.673 ( -1.192 -0.688 4.252) 4.470 2.864 ( 8.838 5.102 3.976) 10.952 3.348 ( 0.814 0.470 -0.255) 0.974 3.438 ( 8.418 4.860 -0.716) 9.747 3.944 ( 0.113 0.065 -16.972) 16.972 4.235 ( 0.029 0.016 6.304) 6.304 5.462 ( -3.000 -1.732 -3.708) 5.075 7.397 ( -9.139 -5.276 5.989) 12.133 8.426 ( 1.904 1.099 0.211) 2.209 8.692 ( 0.979 0.565 -3.871) 4.033 8.714 ( 1.431 0.826 -0.117) 1.656 8.969 ( -13.021 -7.517 7.959) 17.011 9.498 ( 7.485 4.322 -5.187) 10.080 10.223 ( -4.190 -2.419 0.558) 4.871 11.361 ( -5.861 -3.384 -27.042) 27.876 11.934 ( 0.786 0.454 -0.477) 1.025 11.990 ( -3.521 -2.033 -11.650) 12.339 12.884 ( 23.122 13.349 -5.159) 27.193 13.589 ( -33.887 -19.564 90.925) 98.987 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 22.613 13.056 5.467) 26.678 1.275 ( 22.431 12.950 14.697) 29.780 2.151 ( 40.106 23.155 1.731) 46.343 2.482 ( 11.260 6.501 -9.110) 15.876 2.653 ( -1.443 -0.833 6.919) 7.117 2.669 ( 17.082 9.862 -5.323) 20.430 3.110 ( 11.155 6.440 7.644) 14.978 3.377 ( 1.806 1.043 0.023) 2.086 3.682 ( 12.806 7.394 -1.464) 14.859 3.918 ( -1.022 -0.590 -5.581) 5.705 4.319 ( 8.770 5.063 -4.332) 11.015 5.358 ( -5.177 -2.989 -4.575) 7.527 7.332 ( 1.610 0.930 -12.837) 12.971 8.487 ( 3.308 1.910 0.340) 3.835 8.677 ( -6.853 -3.957 2.849) 8.410 8.760 ( -1.740 -1.005 8.585) 8.817 8.761 ( 2.766 1.597 -0.150) 3.197 9.612 ( 4.283 2.473 -8.957) 10.231 10.093 ( -7.304 -4.217 0.848) 8.477 11.003 ( -18.855 -10.886 3.957) 22.129 11.640 ( -19.490 -11.253 0.237) 22.507 11.955 ( 1.124 0.649 -0.698) 1.474 13.405 ( 2.593 1.497 15.542) 15.828 13.441 ( 17.927 10.350 8.426) 22.350 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 18.805 10.857 3.239) 21.955 1.784 ( 20.460 11.813 7.462) 24.776 2.608 ( -0.315 -0.182 -1.370) 1.417 2.755 ( 10.766 6.216 -0.332) 12.435 2.759 ( 13.756 7.942 -13.686) 20.967 3.211 ( 29.982 17.310 6.985) 35.318 3.369 ( 11.081 6.397 5.948) 14.110 3.432 ( 3.056 1.764 0.513) 3.566 3.858 ( -2.410 -1.391 1.644) 3.232 4.002 ( 14.929 8.619 -1.908) 17.344 4.616 ( 16.949 9.786 -6.196) 20.529 5.229 ( -4.673 -2.698 -4.088) 6.770 7.378 ( 4.599 2.655 -12.126) 13.238 8.507 ( -7.718 -4.456 13.974) 16.574 8.571 ( 4.053 2.340 0.221) 4.685 8.835 ( 3.733 2.155 -0.005) 4.311 8.837 ( 5.799 3.348 -0.248) 6.701 9.667 ( 2.669 1.541 -9.660) 10.140 9.908 ( -9.064 -5.233 1.430) 10.563 10.610 ( -16.608 -9.588 10.628) 21.925 11.234 ( -15.723 -9.078 -3.356) 18.463 11.979 ( 1.196 0.691 -1.134) 1.787 13.452 ( 1.704 0.984 8.654) 8.875 13.865 ( 15.452 8.921 1.500) 17.905 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 13.982 8.073 0.944) 16.173 2.221 ( 17.324 10.002 2.026) 20.107 2.593 ( -0.814 -0.470 3.332) 3.462 2.918 ( 4.744 2.739 -9.642) 11.089 2.992 ( 10.116 5.841 -3.818) 12.290 3.515 ( 4.114 2.375 1.031) 4.861 3.551 ( 6.356 3.669 9.416) 11.938 3.694 ( 1.294 0.747 -1.654) 2.229 4.004 ( 20.748 11.979 -2.146) 24.054 4.357 ( 16.550 9.555 2.927) 19.333 4.921 ( 7.095 4.096 -2.045) 8.444 5.224 ( 8.529 4.924 -4.021) 10.638 7.474 ( 5.514 3.183 -6.191) 8.880 8.399 ( -4.503 -2.600 11.639) 12.747 8.664 ( 4.015 2.318 -0.057) 4.636 8.925 ( 4.121 2.379 0.252) 4.765 9.009 ( 9.525 5.499 -1.225) 11.067 9.702 ( -9.342 -5.394 1.904) 10.954 9.703 ( 2.390 1.380 -7.692) 8.172 10.318 ( -11.319 -6.535 8.930) 15.829 10.918 ( -11.768 -6.794 -4.245) 14.236 12.003 ( 1.155 0.667 -1.470) 1.985 13.510 ( 2.195 1.267 3.263) 4.132 14.149 ( 9.743 5.625 1.902) 11.410 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 9.041 5.220 -1.571) 10.558 2.567 ( 13.335 7.699 -2.616) 15.618 2.590 ( -0.204 -0.118 5.220) 5.226 2.976 ( 2.221 1.282 -3.314) 4.190 3.185 ( 7.673 4.430 -3.748) 9.620 3.614 ( 4.176 2.411 1.259) 4.984 3.615 ( -2.284 -1.319 4.496) 5.212 3.694 ( 1.374 0.793 1.072) 1.914 4.370 ( 11.622 6.710 -6.308) 14.829 4.700 ( 8.937 5.160 5.186) 11.550 5.055 ( 11.045 6.377 -0.283) 12.756 5.505 ( 12.983 7.496 -1.852) 15.105 7.593 ( 5.601 3.234 -0.879) 6.527 8.346 ( -2.137 -1.234 6.553) 7.003 8.747 ( 3.322 1.918 -0.246) 3.844 9.016 ( 3.752 2.166 0.421) 4.353 9.244 ( 11.042 6.375 -2.001) 12.906 9.507 ( -8.189 -4.728 1.884) 9.642 9.745 ( 2.419 1.397 -4.001) 4.880 10.133 ( -6.554 -3.784 5.129) 9.142 10.679 ( -8.941 -5.162 -3.126) 10.787 12.025 ( 1.057 0.610 -1.438) 1.886 13.563 ( 2.062 1.190 1.411) 2.767 14.323 ( 5.653 3.264 1.319) 6.659 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 4.672 2.698 -3.668) 6.524 2.605 ( 0.306 0.177 6.380) 6.390 2.795 ( 7.418 4.283 -7.171) 11.171 3.026 ( 2.686 1.551 3.636) 4.779 3.319 ( 4.872 2.813 -3.137) 6.442 3.566 ( -1.870 -1.080 0.602) 2.242 3.695 ( -1.744 -1.007 2.566) 3.262 3.699 ( 2.974 1.717 1.251) 3.655 4.555 ( 6.618 3.821 -3.794) 8.531 4.781 ( 0.117 0.068 2.999) 3.002 5.380 ( 14.276 8.242 -0.839) 16.505 5.734 ( 7.083 4.089 0.927) 8.231 7.712 ( 4.496 2.596 1.367) 5.369 8.324 ( -0.819 -0.473 2.438) 2.615 8.809 ( 2.220 1.281 -0.209) 2.571 9.089 ( 2.600 1.501 0.359) 3.024 9.351 ( -5.750 -3.320 1.289) 6.763 9.469 ( 8.869 5.121 -3.072) 10.692 9.782 ( 0.726 0.419 0.757) 1.129 10.051 ( -0.964 -0.557 1.229) 1.658 10.495 ( -7.023 -4.055 -1.615) 8.269 12.044 ( 0.840 0.485 -0.982) 1.380 13.607 ( 1.509 0.871 0.886) 1.954 14.418 ( 2.785 1.608 0.418) 3.242 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 1.757 1.015 -4.008) 4.493 2.621 ( -0.376 -0.217 5.847) 5.863 2.882 ( 2.650 1.530 -6.123) 6.845 3.095 ( 1.337 0.772 5.040) 5.271 3.389 ( 1.899 1.097 -2.633) 3.427 3.542 ( -0.114 -0.066 -0.943) 0.952 3.650 ( -2.073 -1.197 2.140) 3.211 3.747 ( 0.967 0.558 1.193) 1.634 4.669 ( 4.071 2.350 -1.683) 4.993 4.762 ( -2.001 -1.155 2.070) 3.102 5.622 ( 6.756 3.901 -1.829) 8.013 5.823 ( 0.701 0.405 2.460) 2.590 7.784 ( 1.416 0.817 0.960) 1.896 8.317 ( -0.194 -0.112 0.593) 0.633 8.844 ( 0.807 0.466 -0.110) 0.939 9.130 ( 0.887 0.512 0.165) 1.037 9.261 ( -2.244 -1.296 0.402) 2.622 9.615 ( 4.871 2.812 -3.953) 6.875 9.766 ( -2.350 -1.357 3.343) 4.306 10.089 ( 2.856 1.649 -0.234) 3.306 10.362 ( -4.040 -2.333 -0.303) 4.675 12.057 ( 0.448 0.259 -0.276) 0.587 13.632 ( 0.527 0.304 0.852) 1.047 14.456 ( 0.719 0.415 -0.536) 0.988 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 0.438 0.253 -3.421) 3.458 2.601 ( -2.635 -1.521 4.362) 5.318 2.918 ( 1.375 0.794 -1.406) 2.121 3.069 ( -4.335 -2.503 1.843) 5.334 3.393 ( -1.046 -0.604 -2.004) 2.339 3.551 ( 0.649 0.375 -0.062) 0.753 3.634 ( 0.715 0.413 0.319) 0.886 3.745 ( -1.315 -0.759 1.001) 1.819 4.694 ( -2.992 -1.728 1.852) 3.920 4.742 ( 1.297 0.749 -0.718) 1.661 5.636 ( -5.947 -3.434 -0.026) 6.867 5.809 ( -1.651 -0.953 0.690) 2.027 7.772 ( -2.444 -1.411 -0.834) 2.943 8.315 ( -0.103 -0.060 0.543) 0.556 8.844 ( -0.768 -0.443 -0.083) 0.891 9.128 ( -1.026 -0.592 -0.054) 1.186 9.256 ( 1.789 1.033 -0.345) 2.094 9.656 ( -2.749 -1.587 0.982) 3.323 9.725 ( 0.351 0.202 -1.967) 2.008 10.095 ( -2.420 -1.397 0.685) 2.877 10.368 ( 4.592 2.651 0.707) 5.349 12.062 ( -0.071 -0.041 0.379) 0.388 13.632 ( -0.687 -0.397 0.912) 1.209 14.450 ( -1.039 -0.600 -1.388) 1.835 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -4.744 -2.739 4.469) 7.070 2.529 ( -1.149 -0.663 -4.669) 4.854 2.868 ( -9.158 -5.287 4.303) 11.416 2.989 ( 0.527 0.304 -2.480) 2.553 3.335 ( -3.799 -2.193 -0.719) 4.445 3.562 ( 0.268 0.155 0.507) 0.594 3.669 ( 1.848 1.067 -1.468) 2.590 3.693 ( -3.383 -1.953 0.476) 3.935 4.607 ( -5.185 -2.994 3.873) 7.131 4.748 ( -0.982 -0.567 -2.014) 2.311 5.389 ( -14.860 -8.579 0.563) 17.168 5.726 ( -6.362 -3.673 -0.166) 7.348 7.684 ( -4.633 -2.675 -2.775) 6.027 8.311 ( -0.420 -0.242 1.086) 1.189 8.810 ( -2.192 -1.265 -0.129) 2.534 9.086 ( -2.656 -1.533 -0.156) 3.070 9.337 ( 5.401 3.118 -0.717) 6.278 9.514 ( -9.184 -5.302 3.408) 11.139 9.748 ( 1.397 0.807 -4.986) 5.241 10.053 ( -0.451 -0.260 1.952) 2.021 10.516 ( 7.694 4.442 1.497) 9.009 12.056 ( -0.590 -0.340 0.707) 0.982 13.606 ( -1.825 -1.054 0.804) 2.255 14.402 ( -3.034 -1.752 -1.961) 4.014 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -10.472 -6.046 3.011) 12.462 2.523 ( 0.629 0.363 -4.744) 4.799 2.593 ( -14.989 -8.654 1.510) 17.373 3.016 ( 1.030 0.595 2.268) 2.561 3.220 ( -6.531 -3.771 1.415) 7.673 3.551 ( -1.702 -0.983 -3.062) 3.639 3.602 ( -4.504 -2.601 -0.371) 5.215 3.695 ( 0.717 0.414 -0.252) 0.865 4.455 ( -10.596 -6.118 6.197) 13.715 4.635 ( -11.070 -6.391 -4.846) 13.670 5.066 ( -9.913 -5.723 1.383) 11.529 5.516 ( -11.987 -6.920 -0.123) 13.842 7.573 ( -4.077 -2.354 -4.203) 6.311 8.304 ( -0.308 -0.178 1.610) 1.649 8.746 ( -3.399 -1.962 -0.402) 3.945 9.013 ( -3.681 -2.125 0.070) 4.250 9.284 ( -11.318 -6.535 3.159) 13.446 9.489 ( 8.086 4.669 -0.603) 9.357 9.758 ( 0.423 0.244 -4.046) 4.075 10.098 ( 4.056 2.342 1.675) 4.974 10.714 ( 9.580 5.531 2.173) 11.273 12.039 ( -1.001 -0.578 0.585) 1.295 13.555 ( -2.780 -1.605 0.305) 3.224 14.300 ( -5.707 -3.295 -1.972) 6.879 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -15.282 -8.823 1.527) 17.713 2.211 ( -19.048 -10.997 0.334) 21.997 2.533 ( 1.138 0.657 -5.266) 5.428 3.025 ( -1.578 -0.911 6.001) 6.271 3.046 ( -9.370 -5.410 3.965) 11.523 3.442 ( -7.377 -4.259 -6.400) 10.654 3.501 ( -4.084 -2.358 -1.026) 4.826 3.702 ( -1.774 -1.024 -0.099) 2.051 4.037 ( -25.841 -14.919 3.199) 30.009 4.315 ( -13.122 -7.576 -3.294) 15.506 4.964 ( -5.864 -3.386 3.351) 7.555 5.246 ( -7.867 -4.542 -0.978) 9.137 7.492 ( -2.268 -1.309 -5.031) 5.671 8.318 ( 1.586 0.916 2.243) 2.896 8.659 ( -4.123 -2.381 -0.789) 4.826 8.926 ( -4.018 -2.320 0.398) 4.657 9.046 ( -9.861 -5.694 2.845) 11.737 9.689 ( 9.464 5.464 -0.013) 10.928 9.752 ( -0.297 -0.171 -3.499) 3.516 10.249 ( 9.352 5.400 1.899) 10.965 10.959 ( 11.818 6.823 2.000) 13.793 12.014 ( -1.259 -0.727 0.099) 1.457 13.480 ( -3.881 -2.241 -0.843) 4.560 14.130 ( -9.285 -5.360 -0.848) 10.754 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -19.898 -11.488 0.846) 22.992 1.742 ( -22.620 -13.059 0.524) 26.124 2.542 ( 0.419 0.242 -8.085) 8.099 2.828 ( -10.365 -5.984 7.555) 14.154 2.923 ( -12.846 -7.417 11.198) 18.586 3.111 ( -25.962 -14.989 -8.991) 31.298 3.312 ( -17.350 -10.017 -1.845) 20.119 3.421 ( -2.767 -1.597 -1.042) 3.360 3.832 ( 1.490 0.860 -1.511) 2.290 4.014 ( -12.627 -7.290 0.106) 14.581 4.669 ( -16.662 -9.620 1.056) 19.269 5.262 ( 5.444 3.143 -0.239) 6.290 7.441 ( -1.503 -0.868 -6.027) 6.272 8.406 ( 6.135 3.542 2.966) 7.679 8.563 ( -4.059 -2.344 -0.973) 4.787 8.839 ( -3.704 -2.139 0.557) 4.313 8.868 ( -6.323 -3.651 2.482) 7.712 9.724 ( -1.572 -0.908 -4.300) 4.667 9.903 ( 9.227 5.327 0.681) 10.676 10.545 ( 16.696 9.640 4.992) 19.915 11.254 ( 14.169 8.181 -0.268) 16.364 11.984 ( -1.333 -0.770 -0.480) 1.613 13.369 ( -5.918 -3.417 -2.978) 7.454 13.875 ( -13.605 -7.855 2.734) 15.946 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -23.625 -13.640 1.390) 27.315 1.204 ( -25.277 -14.594 3.563) 29.404 2.151 ( -44.504 -25.695 2.601) 51.455 2.459 ( -6.685 -3.859 -9.705) 12.400 2.685 ( -2.923 -1.687 8.983) 9.596 2.732 ( -14.818 -8.555 1.611) 17.186 3.023 ( -10.579 -6.108 -3.805) 12.794 3.371 ( -1.531 -0.884 -0.760) 1.925 3.681 ( -11.946 -6.897 -1.482) 13.873 3.950 ( 3.811 2.200 -0.513) 4.430 4.342 ( -11.009 -6.356 -0.766) 12.735 5.389 ( 5.240 3.025 -1.366) 6.203 7.392 ( -1.445 -0.834 -7.727) 7.905 8.478 ( -3.178 -1.835 -0.847) 3.766 8.613 ( 11.247 6.494 1.978) 13.137 8.765 ( -2.829 -1.634 0.490) 3.304 8.772 ( -2.667 -1.540 3.353) 4.552 9.653 ( -4.051 -2.339 -5.338) 7.098 10.094 ( 7.317 4.225 1.073) 8.517 11.028 ( 24.269 14.012 11.318) 30.222 11.589 ( 15.949 9.208 -7.021) 19.710 11.954 ( -1.144 -0.661 -0.843) 1.567 13.184 ( -10.110 -5.837 -6.644) 13.432 13.540 ( -17.017 -9.825 13.510) 23.845 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -0.000 27.143 11.195) 29.361 0.792 ( -0.000 24.818 26.803) 36.528 1.204 ( -0.000 48.473 21.051) 52.847 2.226 ( 0.000 6.129 -10.158) 11.863 2.355 ( 0.000 16.457 -7.480) 18.077 2.718 ( -0.000 1.017 7.099) 7.171 2.827 ( -0.000 8.181 2.271) 8.491 3.342 ( 0.000 0.634 -0.894) 1.096 3.437 ( 0.000 9.306 -0.856) 9.345 3.904 ( 0.000 0.914 -18.415) 18.438 4.245 ( -0.000 -0.707 3.941) 4.004 5.454 ( 0.000 -3.672 -3.199) 4.870 7.394 ( -0.000 -17.319 7.272) 18.783 8.418 ( 0.000 1.808 -0.536) 1.886 8.686 ( 0.000 0.522 -4.186) 4.219 8.718 ( -0.000 1.877 0.305) 1.902 8.984 ( -0.000 -12.507 7.870) 14.777 9.476 ( 0.000 6.730 -5.140) 8.468 10.235 ( -0.000 -4.428 1.604) 4.710 11.453 ( 0.000 12.080 -32.824) 34.977 11.802 ( 0.000 -13.660 -1.542) 13.747 11.924 ( 0.000 0.587 -1.337) 1.460 12.835 ( -0.000 18.051 0.331) 18.054 13.864 ( -0.000 -41.737 84.787) 94.503 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 14.125 24.520 8.243) 29.473 1.189 ( 11.629 21.742 20.550) 32.097 1.916 ( 22.030 40.873 8.182) 47.148 2.366 ( 9.911 8.212 -11.063) 16.973 2.562 ( 6.315 16.110 -6.403) 18.450 2.729 ( -1.930 4.407 7.214) 8.671 3.013 ( 9.062 7.837 6.347) 13.558 3.368 ( 1.792 1.885 -0.747) 2.706 3.589 ( 6.690 10.140 -2.659) 12.436 3.899 ( 0.853 1.983 -10.275) 10.499 4.269 ( 2.580 4.378 -3.694) 6.283 5.380 ( -2.840 -4.779 -3.642) 6.646 7.279 ( 0.484 -3.395 -10.718) 11.253 8.463 ( 2.483 2.812 -0.336) 3.766 8.674 ( -0.126 -2.126 -4.290) 4.790 8.748 ( 0.938 2.555 0.596) 2.787 8.851 ( -5.446 -5.657 14.787) 16.743 9.546 ( 3.371 2.818 -9.260) 10.249 10.158 ( -3.632 -4.900 1.767) 6.350 11.216 ( -17.343 -9.990 0.359) 20.017 11.614 ( -3.027 -22.684 -0.259) 22.887 11.969 ( 0.866 -0.279 -3.053) 3.186 13.203 ( 18.753 16.578 0.884) 25.046 13.627 ( -11.930 -2.082 36.182) 38.155 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 13.958 21.637 6.465) 26.547 1.651 ( 14.676 19.034 11.188) 26.512 2.509 ( 12.873 8.349 -11.231) 19.015 2.651 ( 9.007 15.970 -11.125) 21.446 2.754 ( 1.370 9.292 7.709) 12.151 2.974 ( 21.000 22.724 6.322) 31.581 3.257 ( 9.582 5.007 6.343) 12.535 3.438 ( 2.509 5.528 0.397) 6.084 3.837 ( 12.476 8.739 -3.799) 15.699 3.884 ( -1.994 -1.226 -0.092) 2.343 4.462 ( 11.803 12.941 -8.319) 19.390 5.260 ( -4.283 -4.984 -3.158) 7.291 7.290 ( 4.530 1.312 -13.469) 14.271 8.543 ( 2.439 2.825 0.470) 3.762 8.592 ( -3.884 -5.103 7.652) 9.984 8.800 ( 2.232 2.901 2.088) 4.214 8.833 ( 0.731 4.225 5.146) 6.698 9.593 ( 3.367 -0.021 -10.861) 11.371 10.032 ( -7.244 -2.803 2.035) 8.029 10.805 ( -17.360 -13.646 10.223) 24.333 11.288 ( -8.689 -19.410 -3.301) 21.520 11.976 ( 0.592 1.352 -1.526) 2.123 13.561 ( -6.100 6.012 13.798) 16.240 13.658 ( 18.118 9.326 1.339) 20.421 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 10.297 18.657 4.054) 21.692 2.085 ( 13.748 16.661 4.127) 21.991 2.632 ( 0.772 3.699 -1.807) 4.189 2.840 ( 5.288 6.024 -12.710) 15.027 2.939 ( 6.048 12.334 0.578) 13.749 3.425 ( 6.664 1.156 5.480) 8.705 3.572 ( 3.831 9.442 3.350) 10.726 3.605 ( 16.769 14.605 0.395) 22.241 3.858 ( 4.864 3.775 0.321) 6.165 4.164 ( 16.310 8.689 0.048) 18.480 4.812 ( 13.233 12.057 -4.268) 18.404 5.160 ( -0.206 -2.385 -2.933) 3.786 7.382 ( 6.523 2.827 -8.983) 11.456 8.469 ( -4.691 -4.776 11.702) 13.482 8.646 ( 2.711 5.064 -0.009) 5.744 8.894 ( 3.798 3.926 -0.207) 5.467 8.941 ( 5.051 6.729 2.821) 8.874 9.619 ( 3.296 -1.607 -9.190) 9.895 9.873 ( -10.208 0.236 1.876) 10.382 10.449 ( -12.306 -11.650 10.092) 19.723 10.968 ( -8.145 -14.546 -4.916) 17.381 12.007 ( 0.856 2.963 -1.404) 3.389 13.562 ( -3.417 5.938 4.730) 8.325 13.992 ( 13.835 3.262 2.240) 14.390 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 5.294 16.158 1.057) 17.036 2.449 ( 11.302 13.631 -1.071) 17.740 2.664 ( -2.343 6.364 3.041) 7.432 2.924 ( 3.407 1.905 -7.030) 8.041 3.158 ( 5.369 12.001 -2.792) 13.440 3.528 ( 4.012 -0.740 5.602) 6.930 3.666 ( -1.464 -1.687 -3.206) 3.907 3.731 ( 1.433 9.614 4.834) 10.855 4.205 ( 14.748 9.348 -5.808) 18.402 4.554 ( 16.763 8.473 5.480) 19.566 4.984 ( 3.086 3.484 0.171) 4.658 5.323 ( 14.899 6.050 -3.401) 16.436 7.513 ( 6.836 3.145 -3.312) 8.222 8.386 ( -3.154 -3.126 8.774) 9.833 8.738 ( 2.090 5.260 -0.316) 5.669 8.992 ( 3.091 4.179 0.244) 5.203 9.135 ( 8.537 7.104 0.406) 11.113 9.611 ( -2.693 -1.996 -2.464) 4.160 9.740 ( -4.627 2.616 -1.841) 5.625 10.208 ( -7.477 -7.791 6.867) 12.797 10.713 ( -5.907 -11.563 -4.070) 13.607 12.052 ( -0.070 5.319 -1.383) 5.496 13.575 ( -1.266 3.338 1.854) 4.022 14.207 ( 9.762 -0.414 1.556) 9.894 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 0.326 13.509 -1.543) 13.601 2.697 ( -3.370 8.464 5.051) 10.417 2.717 ( 7.212 10.024 -5.946) 13.706 2.982 ( 3.451 0.740 -0.232) 3.537 3.332 ( 2.576 10.990 -3.128) 11.714 3.549 ( -0.288 -3.183 4.140) 5.230 3.649 ( 1.502 -0.697 -0.691) 1.795 3.822 ( -2.860 9.803 2.626) 10.544 4.449 ( 9.131 4.022 -4.986) 11.154 4.765 ( 2.835 0.178 4.353) 5.198 5.205 ( 14.758 7.893 -0.323) 16.739 5.603 ( 12.088 2.783 -0.228) 12.406 7.650 ( 5.971 2.797 0.395) 6.605 8.337 ( -1.454 -2.087 4.316) 5.010 8.814 ( 0.968 4.957 -0.342) 5.062 9.076 ( 2.147 3.664 0.350) 4.261 9.321 ( 5.828 1.421 -0.919) 6.068 9.516 ( -5.755 5.070 0.835) 7.715 9.756 ( 2.618 1.067 -2.247) 3.611 10.065 ( -3.629 -4.637 3.488) 6.844 10.523 ( -4.095 -8.896 -2.374) 10.077 12.099 ( -1.710 7.713 -1.075) 7.973 13.590 ( 0.521 0.430 1.087) 1.279 14.330 ( 6.749 -2.891 0.542) 7.362 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -3.094 10.980 -2.597) 11.700 2.731 ( -4.524 9.321 5.202) 11.593 2.853 ( 2.148 5.781 -7.653) 9.828 3.062 ( 3.924 1.031 3.492) 5.353 3.442 ( -0.663 9.211 -2.213) 9.496 3.517 ( -0.446 -2.267 1.600) 2.810 3.660 ( 0.154 -1.011 1.599) 1.898 3.851 ( -5.031 9.942 0.942) 11.182 4.597 ( 6.300 1.934 -2.440) 7.027 4.774 ( -0.657 -1.755 2.801) 3.369 5.498 ( 11.579 4.067 -1.526) 12.367 5.764 ( 6.034 -1.749 2.184) 6.651 7.756 ( 3.407 1.435 1.482) 3.983 8.312 ( -0.148 -1.550 1.134) 1.926 8.863 ( -0.383 4.188 -0.226) 4.211 9.133 ( 0.737 2.639 0.213) 2.748 9.312 ( -3.382 -0.379 0.508) 3.440 9.573 ( 2.840 5.182 -2.351) 6.360 9.793 ( -0.030 0.565 1.286) 1.405 10.022 ( 2.585 -3.030 0.564) 4.023 10.389 ( -3.087 -5.310 -0.842) 6.200 12.136 ( -3.543 9.227 -0.516) 9.898 13.604 ( 1.586 -1.855 1.096) 2.675 14.388 ( 4.619 -4.572 -0.495) 6.518 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -4.655 9.426 -2.604) 10.830 2.737 ( -6.715 8.782 4.345) 11.878 2.904 ( 0.821 3.446 -4.697) 5.883 3.107 ( -0.824 -0.418 2.936) 3.078 3.469 ( -4.915 6.828 -0.805) 8.452 3.512 ( 2.343 -1.926 -0.750) 3.125 3.649 ( -1.404 0.733 1.557) 2.221 3.857 ( -5.567 9.197 0.592) 10.766 4.689 ( 3.395 0.402 -1.478) 3.724 4.735 ( -1.860 -2.488 2.677) 4.100 5.636 ( 2.682 -1.836 -1.686) 3.661 5.789 ( 1.034 -4.948 2.655) 5.710 7.786 ( -0.639 -0.818 0.526) 1.164 8.304 ( 0.609 -1.370 0.160) 1.507 8.880 ( -1.846 3.258 -0.161) 3.748 9.152 ( -0.980 1.568 0.104) 1.852 9.276 ( -1.707 2.679 0.431) 3.206 9.638 ( 2.006 0.254 -2.651) 3.334 9.773 ( -3.241 1.618 1.445) 3.900 10.050 ( 3.503 -5.517 0.014) 6.535 10.333 ( 0.757 -0.252 0.415) 0.899 12.154 ( -5.018 9.244 0.057) 10.519 13.611 ( 1.573 -2.832 1.313) 3.496 14.400 ( 2.960 -5.712 -1.412) 6.586 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -5.192 8.080 -2.177) 9.848 2.685 ( -9.896 7.514 2.609) 12.697 2.938 ( 0.454 1.887 -0.467) 1.996 3.028 ( -7.462 -1.423 1.189) 7.689 3.434 ( -5.594 5.314 -2.375) 8.073 3.527 ( 1.266 -2.699 1.591) 3.379 3.639 ( -0.173 0.274 0.112) 0.343 3.841 ( -6.974 8.712 0.027) 11.159 4.657 ( -3.554 -3.097 2.671) 5.419 4.733 ( 1.214 -1.167 -0.917) 1.917 5.519 ( -9.554 -8.235 0.202) 12.615 5.742 ( -1.278 -6.183 0.562) 6.339 7.726 ( -3.991 -2.599 -1.386) 4.960 8.302 ( 0.611 -1.622 0.894) 1.951 8.864 ( -3.367 2.457 -0.177) 4.172 9.130 ( -2.864 0.699 -0.043) 2.948 9.312 ( 1.586 4.352 0.519) 4.661 9.611 ( -4.040 -2.900 0.616) 5.011 9.748 ( -1.788 3.262 -3.236) 4.930 10.027 ( 1.268 -5.143 1.253) 5.443 10.410 ( 6.960 0.695 1.248) 7.105 12.147 ( -5.706 7.689 0.388) 9.583 13.607 ( 0.474 -2.162 1.436) 2.639 14.371 ( 1.226 -6.598 -2.058) 7.020 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( -12.186 3.099 3.039) 12.936 2.596 ( -6.403 8.502 -4.356) 11.500 2.801 ( -14.969 -1.770 2.716) 15.316 2.994 ( 1.831 0.820 -0.016) 2.006 3.364 ( -8.721 4.928 -0.935) 10.061 3.498 ( -0.190 -5.410 1.171) 5.539 3.656 ( 1.836 -0.089 -0.569) 1.924 3.785 ( -8.744 6.950 -0.959) 11.211 4.548 ( -5.952 -4.920 3.715) 8.570 4.700 ( -3.734 -3.388 -1.911) 5.392 5.211 ( -14.303 -8.965 0.685) 16.895 5.602 ( -6.983 -8.651 -0.144) 11.118 7.615 ( -4.844 -2.732 -3.317) 6.475 8.296 ( 0.428 -2.019 2.397) 3.163 8.814 ( -4.789 1.660 -0.324) 5.079 9.072 ( -4.288 0.025 -0.044) 4.289 9.364 ( -2.564 -2.664 2.670) 4.560 9.507 ( -3.232 5.298 -0.645) 6.239 9.750 ( -0.374 2.100 -5.252) 5.669 10.035 ( 3.925 -2.272 2.677) 5.266 10.566 ( 10.646 -0.223 1.810) 10.801 12.115 ( -5.444 5.064 0.337) 7.443 13.591 ( -1.474 -0.055 1.275) 1.950 14.300 ( -1.088 -7.526 -2.214) 7.920 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -17.502 -0.036 1.362) 17.555 2.472 ( -19.580 -2.072 0.837) 19.707 2.590 ( -5.013 6.636 -3.484) 9.017 3.029 ( 0.996 0.225 2.388) 2.597 3.221 ( -12.093 1.358 2.729) 12.472 3.428 ( -1.718 -5.633 -2.605) 6.440 3.665 ( -8.580 4.688 -1.357) 9.871 3.696 ( -0.262 -0.036 -0.270) 0.378 4.331 ( -18.370 -9.149 6.836) 21.631 4.437 ( -14.270 -10.058 -6.451) 18.612 5.016 ( -2.902 -0.426 2.208) 3.671 5.347 ( -11.410 -9.661 -1.144) 14.995 7.512 ( -3.430 -1.558 -5.247) 6.460 8.296 ( 1.282 -1.836 4.447) 4.979 8.735 ( -5.792 0.915 -0.584) 5.893 8.990 ( -5.015 -0.495 0.023) 5.040 9.179 ( -10.873 -4.968 2.508) 12.214 9.626 ( 5.485 7.148 -0.909) 9.056 9.755 ( -0.129 3.039 -5.476) 6.264 10.132 ( 8.236 0.040 4.147) 9.221 10.771 ( 13.611 -0.494 1.767) 13.734 12.067 ( -4.398 2.313 -0.037) 4.969 13.560 ( -4.099 2.720 0.736) 4.974 14.173 ( -4.277 -8.646 -1.513) 9.764 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -21.840 -3.054 0.911) 22.071 2.069 ( -25.023 -2.596 1.561) 25.205 2.577 ( -2.995 5.373 -5.485) 8.241 2.997 ( -13.087 -2.926 4.439) 14.125 3.026 ( -3.500 -1.175 4.123) 5.534 3.297 ( -8.290 -4.842 -4.606) 10.648 3.529 ( -9.490 3.081 -0.976) 10.026 3.607 ( -22.091 -8.528 0.287) 23.682 3.850 ( -9.664 -3.751 1.369) 10.457 4.147 ( -11.901 -7.981 -1.585) 14.416 4.880 ( -15.949 -5.352 0.664) 16.836 5.191 ( 3.717 -0.756 -1.547) 4.097 7.446 ( -1.953 -0.315 -7.676) 7.927 8.340 ( 4.398 -0.625 6.774) 8.101 8.639 ( -6.049 0.433 -0.749) 6.110 8.898 ( -4.984 -0.840 -0.196) 5.059 8.969 ( -9.088 -3.349 2.171) 9.926 9.710 ( 0.975 -0.426 -6.455) 6.543 9.849 ( 5.201 8.468 -0.328) 9.943 10.349 ( 15.013 2.764 7.000) 16.793 11.020 ( 16.150 -0.770 0.403) 16.173 12.017 ( -2.956 0.555 -0.494) 3.048 13.503 ( -7.511 5.146 -0.039) 9.105 13.977 ( -8.336 -9.801 0.650) 12.883 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -25.865 -3.739 2.633) 26.266 1.593 ( -28.527 -2.753 2.961) 28.813 2.542 ( -7.619 2.714 -10.153) 12.981 2.696 ( -22.804 -8.545 7.581) 25.505 2.844 ( -29.239 -4.708 3.117) 29.779 2.908 ( -10.381 -2.235 -1.368) 10.707 3.166 ( -12.307 -3.504 0.330) 12.800 3.429 ( -5.303 1.500 -0.585) 5.542 3.824 ( -7.742 -0.453 -3.209) 8.393 3.907 ( -1.343 -3.183 2.039) 4.011 4.527 ( -17.040 -4.035 -2.397) 17.675 5.301 ( 7.002 1.179 -2.351) 7.479 7.397 ( -1.846 0.552 -10.691) 10.863 8.475 ( 9.606 0.937 7.796) 12.407 8.543 ( -5.286 0.213 -0.388) 5.304 8.808 ( -4.279 -1.115 -0.637) 4.467 8.830 ( -5.159 -1.572 2.258) 5.847 9.680 ( -2.002 -0.155 -8.191) 8.434 10.017 ( 6.645 4.176 1.159) 7.934 10.733 ( 23.614 4.417 10.800) 26.339 11.296 ( 17.919 -1.312 -2.494) 18.139 11.983 ( -1.333 0.682 -0.821) 1.708 13.397 ( -12.141 6.662 -0.072) 13.849 13.706 ( -12.507 -10.425 5.420) 17.161 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -0.000 25.909 8.237) 27.187 1.370 ( -0.000 23.786 20.724) 31.548 2.221 ( -0.000 47.278 7.006) 47.794 2.312 ( 0.000 6.766 -12.273) 14.015 2.678 ( 0.000 18.252 -7.191) 19.618 2.803 ( -0.000 4.518 8.551) 9.672 3.047 ( -0.000 12.288 6.380) 13.845 3.358 ( 0.000 1.611 -1.274) 2.054 3.636 ( 0.000 11.233 -6.072) 12.769 3.907 ( 0.000 4.087 -5.326) 6.714 4.294 ( 0.000 9.042 -7.907) 12.012 5.344 ( 0.000 -5.953 -2.402) 6.419 7.215 ( 0.000 -2.120 -11.909) 12.096 8.467 ( 0.000 3.467 -0.794) 3.557 8.641 ( 0.000 -3.683 -2.006) 4.194 8.772 ( -0.000 3.415 0.513) 3.453 8.885 ( -0.000 -2.133 14.674) 14.828 9.524 ( 0.000 2.129 -10.563) 10.775 10.118 ( -0.000 -8.272 2.315) 8.590 11.233 ( -0.000 -23.447 13.987) 27.302 11.464 ( 0.000 -14.112 -11.310) 18.085 11.935 ( 0.000 1.225 -1.867) 2.233 13.200 ( -0.000 14.491 6.175) 15.751 13.788 ( -0.000 0.824 23.470) 23.484 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 10.990 23.003 7.808) 26.663 1.701 ( 7.333 22.454 14.042) 27.480 2.403 ( 6.611 6.713 -11.139) 14.589 2.685 ( 5.028 22.700 -13.205) 26.738 2.860 ( 0.676 12.986 7.268) 14.896 2.974 ( 10.377 24.179 8.738) 27.725 3.216 ( 3.692 10.323 5.898) 12.449 3.421 ( 4.784 4.153 -0.385) 6.347 3.764 ( 4.809 8.698 -6.356) 11.798 3.924 ( -1.697 3.325 -0.213) 3.739 4.445 ( 5.283 17.431 -10.361) 20.955 5.260 ( -2.463 -5.920 -0.917) 6.477 7.210 ( 2.853 1.766 -11.739) 12.209 8.530 ( 2.785 3.981 -0.525) 4.887 8.592 ( -1.098 -4.219 2.495) 5.023 8.815 ( 0.656 3.821 1.409) 4.125 8.901 ( -1.356 3.460 12.023) 12.584 9.526 ( 1.595 0.307 -11.862) 11.973 10.043 ( 0.207 -7.834 2.513) 8.230 10.928 ( -11.407 -21.701 14.387) 28.426 11.230 ( -7.500 -13.952 -7.917) 17.708 11.964 ( 1.617 1.089 -2.044) 2.825 13.453 ( 12.920 6.861 7.145) 16.281 13.802 ( -6.630 8.903 8.954) 14.262 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 10.244 17.852 8.084) 22.113 2.107 ( 11.085 23.206 4.701) 26.143 2.573 ( 8.415 4.632 -7.649) 12.279 2.831 ( 1.830 8.683 -15.128) 17.539 3.021 ( 1.854 13.896 6.320) 15.377 3.343 ( 6.280 2.928 5.206) 8.667 3.523 ( 12.572 23.001 2.301) 26.313 3.590 ( 6.842 9.303 2.300) 11.774 3.849 ( 0.953 2.138 -0.356) 2.367 4.034 ( 8.436 11.843 -1.939) 14.669 4.741 ( 10.139 18.070 -7.183) 21.930 5.155 ( -3.242 -4.648 0.366) 5.679 7.290 ( 5.517 3.879 -8.048) 10.500 8.511 ( -3.246 -4.286 7.085) 8.894 8.646 ( 3.886 5.244 -0.529) 6.548 8.880 ( 2.223 4.381 1.476) 5.130 8.975 ( 1.205 7.618 7.184) 10.540 9.533 ( 2.563 -0.855 -10.728) 11.063 9.979 ( -1.960 -4.164 2.324) 5.156 10.551 ( -12.862 -16.289 10.553) 23.284 10.941 ( -8.321 -13.744 -5.749) 17.064 12.009 ( 2.131 3.050 -1.472) 4.001 13.687 ( 3.595 1.960 6.334) 7.542 13.838 ( 2.964 8.664 1.433) 9.269 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 8.796 14.151 4.167) 17.175 2.499 ( 6.940 23.279 0.055) 24.291 2.728 ( 4.761 6.373 -1.911) 8.181 2.895 ( 1.487 5.430 -10.576) 11.981 3.209 ( 2.887 13.268 2.877) 13.880 3.467 ( 5.385 1.176 4.520) 7.129 3.673 ( -1.655 -1.040 -2.543) 3.207 3.788 ( 4.886 9.900 2.585) 11.339 4.076 ( 10.741 13.363 -4.985) 17.855 4.377 ( 15.922 12.924 5.190) 21.154 5.013 ( 0.136 7.575 0.771) 7.615 5.137 ( 10.421 3.117 -3.501) 11.427 7.424 ( 6.701 4.419 -3.407) 8.720 8.427 ( -3.550 -3.881 7.432) 9.105 8.760 ( 2.763 6.452 -0.393) 7.030 8.979 ( 3.607 4.676 0.042) 5.906 9.113 ( 3.739 8.846 4.118) 10.450 9.554 ( 3.377 -1.002 -7.147) 7.968 9.890 ( -6.783 -0.185 1.254) 6.901 10.263 ( -7.588 -10.272 7.206) 14.663 10.671 ( -6.391 -13.307 -4.590) 15.459 12.090 ( 2.388 6.185 -1.103) 6.721 13.685 ( -5.466 4.646 1.737) 7.381 14.018 ( 10.420 -1.151 1.893) 10.653 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 5.290 11.819 0.766) 12.972 2.763 ( 1.094 15.808 -4.315) 16.423 2.869 ( 0.568 14.910 2.952) 15.210 2.951 ( 1.511 4.728 -5.037) 7.072 3.367 ( 3.245 6.432 0.969) 7.269 3.568 ( 2.265 3.961 5.443) 7.103 3.622 ( -1.312 -0.106 -3.143) 3.407 3.951 ( 1.306 11.038 1.756) 11.253 4.323 ( 9.276 5.935 -5.721) 12.409 4.709 ( 7.504 4.718 5.736) 10.558 5.081 ( 6.705 6.391 0.168) 9.264 5.405 ( 13.374 2.956 -1.068) 13.739 7.576 ( 6.477 4.137 0.134) 7.687 8.354 ( -2.475 -3.362 4.666) 6.261 8.859 ( 1.145 7.040 -0.370) 7.142 9.079 ( 2.688 4.442 -0.008) 5.192 9.264 ( 4.166 5.304 0.805) 6.792 9.596 ( 2.281 0.988 -1.400) 2.853 9.773 ( -5.564 0.396 -1.037) 5.673 10.113 ( -5.314 -2.729 4.280) 7.348 10.461 ( -2.329 -12.234 -3.077) 12.828 12.199 ( 1.083 10.046 -0.809) 10.137 13.632 ( -4.470 1.643 0.683) 4.811 14.151 ( 8.937 -5.661 0.930) 10.620 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -0.164 10.596 -1.335) 10.681 2.857 ( -1.265 8.005 -1.668) 8.274 3.002 ( -4.471 15.960 -1.407) 16.634 3.038 ( 1.830 8.458 0.165) 8.655 3.432 ( 2.238 -2.056 0.914) 3.174 3.635 ( 1.863 -0.081 2.803) 3.367 3.644 ( -3.055 12.409 0.089) 12.780 4.047 ( -3.474 11.957 0.282) 12.455 4.493 ( 7.325 2.751 -3.665) 8.640 4.773 ( -0.244 -0.665 4.022) 4.084 5.327 ( 12.331 4.495 -0.921) 13.156 5.605 ( 9.947 -2.870 1.502) 10.461 7.711 ( 4.663 3.088 1.991) 5.937 8.300 ( -0.868 -3.062 1.289) 3.434 8.929 ( -0.766 6.792 -0.339) 6.844 9.151 ( 1.069 3.624 0.061) 3.779 9.336 ( 0.703 1.251 -0.242) 1.455 9.617 ( -1.976 2.703 1.743) 3.774 9.758 ( 3.886 -0.540 -2.159) 4.478 10.016 ( -5.192 -0.734 1.212) 5.382 10.350 ( 0.555 -6.636 -1.049) 6.741 12.308 ( -2.087 13.650 -0.481) 13.817 13.577 ( -1.622 -2.272 0.879) 2.927 14.219 ( 7.349 -8.443 -0.237) 11.196 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -3.896 9.507 -1.856) 10.441 2.894 ( -2.338 6.599 0.933) 7.063 3.047 ( -7.649 14.546 -2.029) 16.559 3.125 ( 0.295 5.425 -0.197) 5.436 3.443 ( 2.631 -3.127 0.193) 4.091 3.645 ( -4.342 4.280 3.904) 7.239 3.710 ( -2.863 10.224 -0.487) 10.629 4.078 ( -6.578 12.516 -0.488) 14.148 4.611 ( 5.380 0.709 -2.050) 5.801 4.750 ( -1.778 -1.697 3.326) 4.136 5.519 ( 8.139 -1.318 -1.735) 8.426 5.685 ( 4.886 -7.435 2.796) 9.326 7.786 ( 0.878 0.954 2.125) 2.489 8.271 ( 0.752 -2.726 -0.789) 2.936 8.963 ( -2.452 5.990 -0.296) 6.479 9.186 ( -0.466 2.591 0.103) 2.634 9.341 ( -1.607 2.727 0.874) 3.284 9.612 ( 0.135 -0.722 0.041) 0.735 9.824 ( 2.378 1.875 -1.077) 3.214 9.935 ( -0.569 -5.470 -0.131) 5.502 10.328 ( 0.095 0.011 0.148) 0.176 12.379 ( -6.312 15.140 -0.199) 16.404 13.545 ( 1.571 -4.511 1.468) 4.997 14.240 ( 6.162 -10.109 -1.293) 11.909 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -5.694 8.635 -1.155) 10.408 2.906 ( -4.469 5.661 2.343) 7.583 3.023 ( -7.952 10.435 -3.391) 13.550 3.149 ( -3.851 5.124 0.274) 6.416 3.467 ( 3.166 -2.406 0.535) 4.012 3.590 ( -7.143 4.065 1.184) 8.304 3.727 ( -5.830 7.839 0.917) 9.812 4.072 ( -7.985 11.627 -0.773) 14.126 4.671 ( 0.856 -1.563 -2.064) 2.727 4.703 ( -1.054 -1.363 3.972) 4.330 5.539 ( -1.602 -7.024 -1.168) 7.299 5.659 ( 2.203 -9.287 2.116) 9.776 7.765 ( -3.195 -1.429 0.684) 3.566 8.266 ( 1.448 -2.327 -0.537) 2.793 8.964 ( -3.877 5.159 -0.282) 6.459 9.186 ( -2.121 1.741 0.058) 2.745 9.358 ( -0.758 4.693 1.780) 5.076 9.598 ( 0.247 -3.143 -0.968) 3.297 9.836 ( -3.108 2.699 -0.844) 4.202 9.918 ( 4.745 -5.117 -0.723) 7.016 10.342 ( 1.233 0.480 1.016) 1.668 12.382 ( -9.532 12.942 -0.028) 16.073 13.552 ( 3.199 -3.101 1.964) 4.869 14.227 ( 4.977 -10.913 -2.067) 12.171 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -8.548 5.487 0.414) 10.166 2.841 ( -9.246 6.344 -0.982) 11.256 3.008 ( -2.834 6.217 -1.088) 6.919 3.078 ( -12.233 6.972 0.684) 14.097 3.470 ( -1.807 -3.439 3.485) 5.219 3.531 ( -2.068 2.599 -2.792) 4.339 3.679 ( -6.740 5.121 1.174) 8.546 4.022 ( -9.726 8.727 -1.095) 13.113 4.589 ( -4.251 -5.000 0.731) 6.603 4.713 ( -0.640 0.135 1.190) 1.358 5.342 ( -10.742 -9.037 0.163) 14.039 5.581 ( -1.330 -10.132 0.441) 10.228 7.670 ( -5.205 -2.243 -1.102) 5.774 8.266 ( 1.054 -2.282 1.210) 2.790 8.930 ( -5.410 4.128 -0.282) 6.811 9.148 ( -3.869 0.950 -0.211) 3.990 9.398 ( -1.188 2.480 3.493) 4.445 9.558 ( -0.435 -1.458 -3.516) 3.831 9.810 ( -1.806 1.416 0.038) 2.295 9.957 ( 2.237 1.046 -1.227) 2.758 10.396 ( 6.696 -2.970 1.840) 7.553 12.316 ( -10.250 8.182 0.006) 13.115 13.595 ( 2.202 1.138 2.070) 3.229 14.185 ( 3.208 -11.140 -2.355) 11.829 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -14.619 -0.127 0.570) 14.630 2.766 ( -8.162 8.434 -2.842) 12.076 2.864 ( -20.577 6.471 1.187) 21.603 3.032 ( -0.258 3.100 0.388) 3.135 3.387 ( -3.122 -6.654 2.937) 7.915 3.474 ( -9.223 5.108 -1.417) 10.638 3.658 ( 0.950 1.037 -0.111) 1.410 3.908 ( -11.468 5.413 -0.984) 12.719 4.445 ( -6.344 -6.352 0.320) 8.983 4.614 ( -12.653 -4.235 0.395) 13.349 5.093 ( -7.823 -2.709 1.119) 8.354 5.410 ( -7.239 -9.952 -0.537) 12.318 7.560 ( -4.897 -1.317 -2.749) 5.768 8.265 ( 0.990 -2.191 3.740) 4.446 8.860 ( -6.689 2.669 -0.293) 7.208 9.077 ( -5.108 0.387 -0.478) 5.145 9.310 ( -8.458 -3.278 2.647) 9.450 9.599 ( 3.744 3.417 -4.557) 6.816 9.812 ( -1.033 4.596 -0.612) 4.750 10.016 ( 4.221 0.690 1.572) 4.557 10.527 ( 12.403 -4.156 1.608) 13.179 12.209 ( -8.837 3.624 -0.110) 9.552 13.647 ( -0.675 5.416 1.727) 5.725 14.105 ( 0.461 -10.858 -1.881) 11.029 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -19.006 -1.279 0.774) 19.065 2.517 ( -25.733 3.229 0.636) 25.942 2.707 ( -6.445 5.333 -2.595) 8.759 3.048 ( -0.489 0.694 -1.356) 1.600 3.211 ( -12.142 -4.145 4.075) 13.461 3.371 ( -5.902 0.982 -1.112) 6.086 3.693 ( 1.253 0.365 -0.269) 1.332 3.746 ( -11.947 2.909 -0.264) 12.298 4.190 ( -28.056 -6.119 0.397) 28.718 4.257 ( -9.408 -4.560 -0.029) 10.455 5.058 ( -2.409 3.749 1.287) 4.638 5.157 ( -8.845 -8.255 -2.435) 12.341 7.476 ( -3.403 0.312 -4.893) 5.968 8.284 ( 2.492 -1.661 6.966) 7.582 8.760 ( -7.109 1.210 -0.311) 7.218 8.985 ( -5.700 0.154 -0.863) 5.767 9.115 ( -10.765 -2.519 1.423) 11.147 9.667 ( 2.486 1.015 -6.713) 7.230 9.871 ( 1.559 6.105 -0.415) 6.314 10.144 ( 10.833 -0.807 6.054) 12.436 10.733 ( 15.413 -2.716 0.190) 15.652 12.100 ( -6.277 0.925 -0.295) 6.352 13.672 ( -4.283 6.868 1.245) 8.189 13.980 ( -3.429 -8.929 -0.441) 9.574 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -22.840 0.125 2.704) 23.000 2.072 ( -28.162 -0.568 1.024) 28.186 2.648 ( -4.286 2.690 -3.423) 6.109 2.937 ( -15.152 -3.099 1.749) 15.565 2.999 ( -5.676 -2.042 -5.809) 8.375 3.274 ( -8.953 2.591 4.226) 10.234 3.501 ( -30.808 -0.220 0.938) 30.823 3.573 ( -10.279 0.476 0.599) 10.308 3.836 ( -1.118 -0.039 1.321) 1.732 4.049 ( -12.428 0.438 -0.515) 12.447 4.808 ( -18.654 -0.531 -3.076) 18.913 5.181 ( 6.649 0.212 -2.126) 6.984 7.424 ( -2.609 1.777 -8.336) 8.914 8.359 ( 6.052 -1.052 10.274) 11.970 8.649 ( -6.652 0.250 -0.131) 6.658 8.889 ( -5.660 0.431 -1.690) 5.922 8.931 ( -8.501 -1.291 1.226) 8.685 9.680 ( 0.226 1.120 -9.003) 9.075 9.954 ( 4.065 0.309 1.298) 4.278 10.402 ( 18.512 -1.410 9.192) 20.716 10.989 ( 16.927 -0.292 -1.673) 17.012 12.022 ( -3.367 0.143 -0.470) 3.403 13.621 ( -7.208 0.828 2.961) 7.836 13.825 ( -8.983 -0.676 0.557) 9.026 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -0.000 22.259 7.100) 23.364 1.891 ( -0.000 21.798 14.279) 26.059 2.367 ( 0.000 3.876 -9.451) 10.215 2.797 ( 0.000 12.741 -20.039) 23.747 2.958 ( -0.000 7.477 5.218) 9.117 3.186 ( -0.000 28.369 13.175) 31.279 3.360 ( -0.000 20.412 5.554) 21.154 3.400 ( 0.000 3.398 -1.019) 3.548 3.793 ( 0.000 6.526 -4.232) 7.778 3.996 ( 0.000 8.912 -2.609) 9.286 4.573 ( 0.000 21.637 -10.482) 24.042 5.227 ( -0.000 -4.984 1.688) 5.262 7.191 ( 0.000 4.098 -8.504) 9.440 8.543 ( 0.000 4.567 -0.830) 4.641 8.571 ( -0.000 -3.106 1.894) 3.638 8.852 ( -0.000 4.406 0.637) 4.452 8.982 ( -0.000 4.844 13.731) 14.560 9.491 ( 0.000 0.269 -12.272) 12.275 9.941 ( -0.000 -10.759 2.659) 11.083 10.824 ( -0.000 -22.711 14.394) 26.888 11.172 ( 0.000 -11.914 -8.856) 14.845 11.955 ( 0.000 1.703 -2.067) 2.679 13.422 ( -0.000 6.188 6.820) 9.209 13.961 ( -0.000 8.911 5.230) 10.332 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 8.605 19.032 6.762) 21.954 2.170 ( 6.134 20.229 8.768) 22.885 2.455 ( 7.713 3.811 -6.740) 10.929 2.850 ( 0.717 6.623 -18.119) 19.305 3.093 ( 5.397 9.045 3.182) 11.002 3.353 ( -1.422 7.245 6.530) 9.857 3.539 ( 8.129 7.320 2.628) 11.250 3.616 ( 2.379 15.855 0.384) 16.037 3.891 ( 1.986 15.637 1.188) 15.808 4.102 ( 0.500 15.041 -2.902) 15.326 4.795 ( 4.004 19.641 -8.247) 21.675 5.177 ( -2.566 -1.541 3.501) 4.606 7.252 ( 2.838 6.065 -4.620) 8.135 8.530 ( -1.924 -2.878 2.676) 4.376 8.622 ( 3.784 4.901 -0.914) 6.259 8.905 ( 0.802 4.596 1.239) 4.828 9.066 ( -0.197 7.923 11.277) 13.783 9.476 ( 0.986 0.139 -11.151) 11.196 9.879 ( 4.072 -9.947 2.477) 11.030 10.581 ( -7.504 -18.085 10.204) 22.079 10.963 ( -8.188 -10.880 -6.614) 15.138 11.992 ( 2.496 2.565 -1.785) 4.000 13.560 ( 8.057 2.452 4.686) 9.638 14.009 ( -5.196 9.136 2.327) 10.765 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 6.808 15.222 5.451) 17.543 2.544 ( 13.171 18.476 2.320) 22.808 2.643 ( 9.078 5.964 -3.911) 11.544 2.892 ( 2.446 4.502 -13.398) 14.344 3.307 ( 5.395 11.999 3.308) 13.566 3.404 ( 1.542 2.074 4.519) 5.206 3.671 ( -0.213 -1.418 -2.317) 2.725 3.763 ( 8.527 8.229 2.125) 12.039 4.106 ( 1.793 15.900 -5.784) 17.014 4.351 ( 7.445 20.604 5.992) 22.712 5.021 ( 6.850 7.240 -4.008) 10.743 5.144 ( -4.297 8.496 2.323) 9.800 7.375 ( 4.701 6.709 -1.083) 8.264 8.460 ( -3.240 -3.559 3.373) 5.877 8.750 ( 5.101 5.547 -0.744) 7.573 8.977 ( 2.089 4.829 1.023) 5.360 9.182 ( 0.920 9.919 6.942) 12.142 9.482 ( 2.293 -0.081 -7.561) 7.901 9.881 ( 4.341 -6.419 1.308) 7.859 10.301 ( -8.581 -12.472 6.181) 16.352 10.691 ( -10.011 -9.939 -4.619) 14.843 12.085 ( 4.438 5.260 -1.157) 6.979 13.709 ( 6.635 -0.947 1.872) 6.958 13.993 ( -5.414 6.259 1.650) 8.439 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 5.906 12.405 2.177) 13.911 2.814 ( 5.100 4.801 -3.272) 7.731 2.926 ( 8.661 16.023 -1.388) 18.267 2.991 ( 5.960 9.862 -6.045) 13.012 3.405 ( -2.056 3.594 6.517) 7.721 3.529 ( 4.887 2.683 0.486) 5.596 3.665 ( 1.523 4.442 -1.250) 4.860 3.984 ( 6.674 9.028 1.094) 11.280 4.258 ( 4.380 8.770 -5.515) 11.248 4.670 ( 7.152 12.247 5.695) 15.283 5.091 ( 0.942 3.315 0.537) 3.488 5.274 ( 5.162 8.964 -0.887) 10.382 7.526 ( 5.387 6.402 1.381) 8.481 8.374 ( -3.207 -3.997 2.521) 5.711 8.886 ( 3.971 6.467 -0.366) 7.598 9.069 ( 3.073 4.362 0.063) 5.336 9.293 ( 0.380 7.308 2.294) 7.669 9.529 ( 4.342 0.696 -1.817) 4.758 9.850 ( -3.667 -3.926 -0.546) 5.400 10.148 ( 0.464 -4.179 4.011) 5.811 10.423 ( -9.105 -9.724 -3.431) 13.756 12.237 ( 5.285 9.025 -0.605) 10.476 13.739 ( -3.032 0.221 -0.423) 3.070 13.985 ( 2.125 -2.475 1.922) 3.786 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 3.149 9.897 -1.142) 10.449 2.906 ( 2.663 3.273 -0.537) 4.254 3.095 ( 1.277 11.091 -3.169) 11.605 3.244 ( 2.434 16.291 -3.140) 16.769 3.400 ( -1.776 -0.032 5.610) 5.884 3.581 ( 3.905 0.069 0.865) 4.001 3.804 ( 1.244 13.096 0.697) 13.173 4.153 ( 2.806 8.740 0.112) 9.180 4.409 ( 6.180 5.303 -3.777) 8.977 4.806 ( -0.535 3.781 4.013) 5.539 5.208 ( 6.567 5.840 -0.568) 8.807 5.422 ( 7.542 -1.240 1.175) 7.733 7.677 ( 4.733 5.548 2.851) 7.830 8.291 ( -2.102 -4.291 0.391) 4.794 8.999 ( 1.325 7.235 -0.174) 7.357 9.155 ( 2.500 3.278 -0.372) 4.140 9.345 ( -0.031 3.075 -0.052) 3.076 9.621 ( 4.779 1.075 2.124) 5.339 9.724 ( -4.589 -4.032 -0.638) 6.142 10.159 ( -9.316 1.688 -0.995) 9.520 10.234 ( 5.518 -6.164 -0.313) 8.279 12.427 ( 4.070 13.290 -0.194) 13.901 13.641 ( -7.065 -0.779 -0.179) 7.110 14.005 ( 6.166 -9.410 0.622) 11.268 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -0.734 6.499 -3.506) 7.421 2.986 ( 1.386 4.850 3.497) 6.138 3.195 ( -1.304 10.545 -2.666) 10.954 3.324 ( -4.860 9.039 -4.342) 11.144 3.380 ( -0.521 -1.585 4.347) 4.656 3.698 ( 2.778 7.788 1.628) 8.428 3.922 ( -3.696 14.350 1.320) 14.877 4.251 ( -0.558 7.650 -0.292) 7.675 4.539 ( 4.653 3.988 -3.108) 6.871 4.802 ( -3.803 2.883 3.547) 5.946 5.361 ( 7.727 -0.790 -1.078) 7.842 5.504 ( 7.137 -8.233 2.167) 11.109 7.791 ( 1.889 3.854 3.586) 5.593 8.227 ( -0.048 -4.266 -1.871) 4.659 9.066 ( -1.673 7.150 -0.290) 7.349 9.210 ( 0.796 2.407 -0.099) 2.537 9.371 ( 0.528 2.098 -0.013) 2.164 9.623 ( -2.760 -2.670 2.424) 4.541 9.720 ( 5.740 -1.666 0.266) 5.983 9.981 ( -6.439 -4.207 -2.837) 8.198 10.329 ( 2.491 4.774 0.321) 5.394 12.610 ( -0.830 17.069 -0.100) 17.089 13.516 ( -4.083 -4.096 0.951) 5.861 14.007 ( 7.062 -12.852 -0.830) 14.688 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( -2.188 4.395 -2.238) 5.395 3.040 ( -2.583 5.655 4.548) 7.703 3.230 ( -2.881 4.555 -4.453) 6.991 3.295 ( -7.648 10.754 -2.163) 13.373 3.389 ( 3.117 -2.287 2.023) 4.363 3.761 ( -5.597 7.601 1.421) 9.546 3.961 ( -7.872 13.294 1.189) 15.496 4.282 ( -4.116 6.935 -0.417) 8.075 4.630 ( 2.483 2.561 -2.765) 4.513 4.761 ( -4.599 2.617 3.962) 6.611 5.433 ( 5.237 -6.708 -1.467) 8.636 5.509 ( 4.146 -11.164 2.402) 12.148 7.815 ( -2.735 0.860 2.791) 4.001 8.206 ( 2.215 -2.985 -2.216) 4.327 9.085 ( -3.647 6.389 -0.403) 7.368 9.230 ( -0.893 1.762 0.214) 1.987 9.408 ( 0.636 3.397 0.374) 3.476 9.570 ( -0.920 -3.549 2.593) 4.491 9.770 ( 3.198 -6.325 -0.591) 7.112 9.893 ( 0.168 1.449 -2.479) 2.876 10.381 ( -1.949 4.338 0.328) 4.767 12.692 ( -9.461 16.008 -0.340) 18.597 13.465 ( 2.928 -3.416 2.176) 4.998 13.993 ( 7.343 -14.160 -1.904) 16.064 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -3.165 2.742 -0.569) 4.226 3.004 ( -7.582 2.952 1.957) 8.368 3.201 ( -5.559 7.357 -2.153) 9.469 3.269 ( -5.013 5.953 -2.341) 8.128 3.443 ( 3.892 -0.281 1.217) 4.088 3.657 ( -12.645 2.862 1.242) 13.024 3.924 ( -10.224 9.878 1.119) 14.260 4.245 ( -7.447 5.601 -0.456) 9.330 4.605 ( -3.533 -4.067 -2.014) 5.752 4.763 ( -1.966 6.109 3.179) 7.162 5.381 ( -3.084 -7.540 -1.002) 8.208 5.459 ( 3.058 -11.211 1.684) 11.742 7.743 ( -5.379 -1.046 1.007) 5.571 8.221 ( 2.161 -1.742 -0.427) 2.808 9.066 ( -5.213 5.007 -0.306) 7.234 9.213 ( -2.687 0.898 -0.210) 2.841 9.459 ( -0.245 4.436 2.904) 5.307 9.522 ( -0.334 -3.784 -1.612) 4.127 9.742 ( 3.128 -6.901 0.702) 7.609 9.977 ( 4.218 6.169 -2.733) 7.957 10.350 ( -3.734 -0.271 1.091) 3.899 12.605 ( -13.938 8.709 -0.260) 16.437 13.551 ( 5.683 3.150 2.491) 6.959 13.972 ( 6.810 -13.664 -2.346) 15.446 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -10.898 0.474 0.488) 10.919 2.913 ( -4.336 1.844 -0.777) 4.776 3.152 ( -8.384 6.004 -0.220) 10.315 3.229 ( -8.079 7.282 -3.285) 11.362 3.415 ( -11.562 -4.570 4.710) 13.295 3.520 ( 3.340 -0.633 -1.261) 3.626 3.810 ( -11.745 4.909 0.636) 12.746 4.138 ( -10.269 3.438 -0.330) 10.835 4.481 ( -4.936 -4.357 -1.510) 6.755 4.757 ( -5.790 2.213 1.869) 6.474 5.214 ( -8.762 -3.157 0.185) 9.316 5.392 ( -0.823 -7.441 0.514) 7.504 7.638 ( -5.763 -0.653 -0.226) 5.805 8.236 ( 1.242 -1.195 1.978) 2.624 9.001 ( -6.779 2.466 -0.136) 7.215 9.160 ( -4.172 0.480 -0.586) 4.240 9.410 ( -5.780 -2.098 2.149) 6.513 9.555 ( 3.414 2.849 -3.842) 5.877 9.762 ( 5.195 -4.070 2.402) 7.023 10.092 ( -2.283 10.230 -3.126) 10.938 10.306 ( 5.801 -7.103 2.189) 9.428 12.427 ( -13.012 2.927 -0.076) 13.337 13.688 ( 3.191 6.535 1.684) 7.465 13.948 ( 4.989 -10.481 -1.614) 11.719 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -15.537 -0.032 0.467) 15.544 2.847 ( -6.115 0.678 -0.503) 6.173 2.957 ( -22.549 0.274 -1.369) 22.592 3.081 ( -5.204 -0.507 -2.025) 5.607 3.298 ( -2.193 -1.221 3.146) 4.024 3.521 ( -6.490 0.667 0.199) 6.528 3.682 ( -2.637 -0.192 -0.335) 2.665 3.968 ( -11.900 0.468 0.378) 11.916 4.355 ( -7.070 -0.322 -2.985) 7.682 4.575 ( -17.369 0.093 2.721) 17.581 5.086 ( -3.593 -0.733 -0.006) 3.667 5.286 ( -7.637 0.470 -0.178) 7.654 7.546 ( -4.871 0.875 -1.376) 5.137 8.254 ( 1.308 -0.768 4.952) 5.179 8.891 ( -7.409 0.053 -0.102) 7.409 9.081 ( -5.350 0.322 -0.635) 5.397 9.271 ( -8.981 -1.118 0.240) 9.054 9.623 ( 2.691 1.822 -4.680) 5.698 9.841 ( 5.759 -1.419 1.279) 6.067 10.074 ( -2.121 1.118 2.341) 3.351 10.460 ( 14.271 -1.035 -0.559) 14.319 12.243 ( -10.021 0.043 -0.098) 10.021 13.748 ( -0.255 -1.401 -0.292) 1.453 13.951 ( 1.217 1.525 0.940) 2.166 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -18.659 1.229 1.697) 18.777 2.506 ( -25.549 -4.215 -0.989) 25.913 2.733 ( -6.110 -2.788 1.033) 6.795 3.008 ( -2.058 -2.002 -6.518) 7.122 3.188 ( -12.745 0.557 0.219) 12.759 3.408 ( -4.721 1.867 4.103) 6.528 3.692 ( 1.425 -0.388 -0.525) 1.568 3.759 ( -11.733 -1.947 1.700) 12.014 4.141 ( -22.045 3.176 -4.932) 22.812 4.306 ( -15.089 7.258 5.297) 17.562 5.025 ( -3.981 -3.825 -2.591) 6.099 5.173 ( -7.934 7.812 -0.798) 11.163 7.485 ( -3.760 2.431 -3.604) 5.748 8.296 ( 3.019 -0.559 8.548) 9.083 8.762 ( -7.005 -0.954 -0.029) 7.070 8.988 ( -5.751 0.265 -0.597) 5.788 9.097 ( -10.808 0.812 -0.897) 10.876 9.660 ( 1.514 1.319 -6.988) 7.270 9.877 ( 2.506 -5.477 0.582) 6.051 10.158 ( 10.550 -0.936 7.251) 12.836 10.716 ( 15.507 1.684 -2.325) 15.770 12.100 ( -6.267 -0.878 -0.340) 6.337 13.668 ( -3.259 -7.122 0.663) 7.860 13.994 ( -4.100 9.528 1.619) 10.499 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -0.000 17.202 5.700) 18.122 2.341 ( -0.000 19.137 8.877) 21.095 2.396 ( 0.000 2.687 -4.793) 5.495 2.854 ( 0.000 3.866 -18.483) 18.883 3.105 ( -0.000 5.801 0.215) 5.805 3.490 ( -0.000 5.998 0.272) 6.004 3.514 ( -0.000 7.760 8.441) 11.465 3.679 ( 0.000 2.072 -1.376) 2.488 4.094 ( 0.000 23.393 -2.274) 23.504 4.266 ( -0.000 20.749 2.106) 20.855 4.914 ( 0.000 12.970 -5.722) 14.176 5.234 ( -0.000 7.508 3.532) 8.298 7.292 ( 0.000 7.981 -0.948) 8.037 8.526 ( -0.000 -2.367 0.108) 2.370 8.633 ( 0.000 4.904 -0.668) 4.949 8.944 ( -0.000 4.613 0.650) 4.659 9.176 ( -0.000 8.966 12.338) 15.252 9.452 ( 0.000 1.220 -10.340) 10.411 9.732 ( -0.000 -11.515 2.541) 11.792 10.498 ( -0.000 -15.582 7.492) 17.290 10.918 ( 0.000 -10.928 -5.853) 12.397 11.983 ( 0.000 1.979 -1.928) 2.763 13.535 ( -0.000 3.767 3.462) 5.116 14.142 ( -0.000 7.703 1.654) 7.879 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 8.192 13.916 4.117) 16.665 2.469 ( 6.407 5.440 -1.480) 8.534 2.596 ( 7.041 14.885 3.809) 16.902 2.857 ( 1.450 2.468 -14.301) 14.585 3.229 ( 8.427 4.858 -1.339) 9.818 3.505 ( -3.064 5.871 4.673) 8.105 3.644 ( 2.506 0.195 -2.290) 3.400 3.711 ( 4.685 4.865 4.263) 7.987 4.252 ( -1.486 14.704 -7.247) 16.460 4.518 ( 1.383 22.920 7.351) 24.110 5.009 ( 1.590 6.006 -1.855) 6.484 5.330 ( -2.850 14.974 0.893) 15.269 7.394 ( 2.068 8.727 1.658) 9.121 8.480 ( -2.312 -3.019 -0.363) 3.820 8.715 ( 4.026 4.774 -0.614) 6.275 8.999 ( 1.098 4.519 0.814) 4.721 9.294 ( -0.147 10.376 8.906) 13.675 9.449 ( 0.409 1.226 -6.789) 6.911 9.692 ( 6.940 -9.547 1.572) 11.907 10.322 ( -5.938 -11.922 4.338) 14.007 10.741 ( -6.877 -9.503 -4.523) 12.572 12.042 ( 4.728 3.164 -1.484) 5.879 13.611 ( 4.020 1.649 1.828) 4.714 14.166 ( -5.352 6.183 1.278) 8.277 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 5.135 11.621 2.829) 13.016 2.701 ( 12.583 4.819 -2.170) 13.648 2.875 ( 9.835 7.096 -5.051) 13.137 2.925 ( 7.144 7.993 -2.518) 11.012 3.433 ( 8.003 3.141 -0.014) 8.597 3.519 ( -1.593 3.756 2.943) 5.031 3.653 ( 1.782 2.223 0.527) 2.897 3.915 ( 9.958 6.161 1.631) 11.823 4.330 ( -1.763 10.843 -5.775) 12.411 4.732 ( 1.790 11.324 6.115) 12.993 5.098 ( 1.702 7.983 -0.949) 8.217 5.411 ( -4.668 13.483 0.270) 14.270 7.530 ( 3.309 8.408 3.022) 9.527 8.394 ( -3.473 -3.948 -0.318) 5.267 8.848 ( 6.095 4.562 -0.447) 7.626 9.071 ( 1.997 4.374 0.586) 4.844 9.379 ( -1.404 6.105 -0.080) 6.264 9.485 ( 2.441 3.176 2.866) 4.926 9.764 ( 8.256 -4.783 -1.223) 9.619 10.119 ( -5.594 -8.541 2.711) 10.564 10.511 ( -9.229 -6.819 -3.156) 11.901 12.195 ( 8.117 6.171 -0.786) 10.226 13.681 ( 3.751 -2.056 0.073) 4.278 14.095 ( -8.854 3.618 1.461) 9.676 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 4.992 8.690 0.305) 10.026 2.868 ( 3.809 3.835 -2.241) 5.851 3.083 ( 10.637 6.188 -3.698) 12.850 3.196 ( 10.402 5.217 0.519) 11.649 3.500 ( -1.615 2.704 2.165) 3.822 3.537 ( 1.741 3.465 1.473) 4.149 3.824 ( 8.859 8.589 0.352) 12.344 4.141 ( 8.175 6.680 0.395) 10.564 4.395 ( 0.700 7.362 -3.383) 8.132 4.837 ( 2.219 2.831 3.168) 4.793 5.208 ( 1.408 8.322 -0.755) 8.474 5.427 ( -5.070 6.377 1.192) 8.234 7.677 ( 3.777 7.580 3.635) 9.216 8.292 ( -3.348 -4.726 -1.009) 5.878 8.996 ( 5.954 4.567 -0.158) 7.506 9.147 ( 1.979 3.606 0.028) 4.114 9.390 ( -1.264 2.477 -1.652) 3.235 9.571 ( 2.650 2.595 4.394) 5.750 9.773 ( -3.660 -2.453 -1.638) 4.701 10.056 ( 5.916 -7.840 0.748) 9.850 10.315 ( -7.363 0.356 -1.660) 7.556 12.425 ( 9.547 10.024 -0.135) 13.843 13.688 ( 0.785 -4.565 -1.550) 4.885 13.957 ( -8.826 -1.277 1.985) 9.137 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 1.099 4.580 -1.812) 5.046 2.971 ( 4.167 5.590 0.114) 6.973 3.271 ( 3.556 6.391 -2.100) 7.609 3.300 ( 2.278 -2.165 1.673) 3.560 3.479 ( -1.633 0.886 0.876) 2.054 3.720 ( 6.746 12.096 0.758) 13.871 4.044 ( 5.564 10.492 0.720) 11.898 4.284 ( 1.626 5.027 -0.857) 5.352 4.498 ( 4.799 5.064 -1.509) 7.138 4.904 ( 0.970 4.675 1.581) 5.029 5.281 ( 1.289 1.657 -0.474) 2.153 5.376 ( -2.425 -3.441 1.648) 4.521 7.813 ( 2.743 6.571 4.209) 8.271 8.190 ( -2.060 -5.490 -2.558) 6.398 9.126 ( 3.350 5.307 0.155) 6.278 9.203 ( 1.509 2.115 -0.483) 2.643 9.388 ( -0.727 1.392 -0.544) 1.662 9.621 ( 0.196 -1.693 -1.077) 2.016 9.688 ( -2.062 0.580 4.790) 5.247 9.988 ( -2.456 -9.617 -2.952) 10.355 10.343 ( 3.110 7.553 -0.040) 8.169 12.700 ( 8.549 14.170 0.296) 16.552 13.602 ( -6.395 -3.062 -1.453) 7.237 13.809 ( -1.460 -10.156 1.255) 10.337 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -2.142 4.783 -1.491) 5.449 3.078 ( 3.627 2.914 1.700) 4.953 3.289 ( -2.984 -0.541 -1.975) 3.619 3.321 ( 2.177 -0.890 1.085) 2.590 3.489 ( -2.752 6.728 -0.138) 7.271 3.893 ( 0.501 8.375 0.268) 8.394 4.198 ( -2.729 12.497 0.282) 12.794 4.320 ( 1.456 0.353 0.533) 1.590 4.623 ( 3.441 5.471 -2.059) 6.783 4.940 ( -6.398 9.567 2.105) 11.700 5.280 ( 2.514 -7.724 0.414) 8.133 5.322 ( 4.383 -9.686 0.327) 10.636 7.888 ( -2.152 3.911 4.429) 6.288 8.126 ( 2.026 -4.375 -3.731) 6.096 9.195 ( -1.770 5.752 -0.250) 6.023 9.244 ( 1.340 1.093 0.154) 1.736 9.402 ( 1.578 0.996 -0.904) 2.073 9.564 ( -1.652 -3.376 1.740) 4.142 9.710 ( -0.169 -0.659 2.857) 2.937 9.872 ( -0.236 -4.125 -3.503) 5.417 10.452 ( 0.627 5.842 -0.104) 5.877 12.953 ( 0.598 17.544 -0.036) 17.554 13.444 ( -5.560 -3.282 1.219) 6.571 13.724 ( 5.651 -15.248 -1.181) 16.305 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -3.321 2.193 0.129) 3.981 3.153 ( -3.117 4.356 3.602) 6.455 3.201 ( -0.058 -3.304 -4.813) 5.838 3.371 ( 4.021 -0.563 0.582) 4.102 3.470 ( -7.211 5.803 -0.114) 9.256 3.890 ( -8.164 3.723 0.313) 8.978 4.173 ( -8.860 5.952 -0.286) 10.678 4.354 ( -1.030 1.904 1.181) 2.466 4.648 ( -4.736 0.576 -2.059) 5.196 4.921 ( -6.347 9.721 2.001) 11.781 5.250 ( 5.730 -10.336 0.221) 11.820 5.327 ( 4.077 -6.150 0.284) 7.384 7.836 ( -5.726 -0.119 2.105) 6.102 8.155 ( 3.837 -0.855 -1.529) 4.218 9.191 ( -4.061 3.875 -0.317) 5.622 9.252 ( -1.260 0.399 0.040) 1.322 9.450 ( 2.678 1.011 -2.978) 4.131 9.528 ( -0.306 -1.982 5.389) 5.750 9.658 ( -1.367 -3.584 -0.809) 3.920 9.911 ( 5.685 1.100 -1.504) 5.982 10.457 ( -4.894 2.454 -0.000) 5.475 12.939 ( -15.707 7.584 -0.325) 17.446 13.488 ( 7.571 6.227 2.604) 10.143 13.692 ( 8.536 -14.881 -2.314) 17.311 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -3.649 0.334 1.247) 3.871 3.028 ( -8.510 -0.868 -1.766) 8.734 3.255 ( 2.888 1.231 0.505) 3.180 3.347 ( -9.380 0.067 -1.343) 9.476 3.446 ( 3.861 -0.125 0.780) 3.941 3.693 ( -16.476 -0.283 0.665) 16.492 4.034 ( -11.148 -0.320 0.049) 11.153 4.299 ( -6.352 -0.410 -0.205) 6.369 4.544 ( -5.603 0.881 -0.944) 5.750 4.867 ( -5.711 -1.072 0.601) 5.842 5.297 ( 0.410 1.415 -0.965) 1.761 5.316 ( 1.873 -1.375 2.067) 3.109 7.735 ( -5.898 -0.248 1.089) 6.003 8.205 ( 2.317 0.226 0.471) 2.375 9.125 ( -6.026 0.076 -0.025) 6.027 9.220 ( -2.661 0.190 -0.396) 2.697 9.454 ( -1.657 -1.707 -3.396) 4.146 9.544 ( 1.222 1.601 3.927) 4.413 9.652 ( 3.548 -0.722 -0.129) 3.623 10.049 ( 9.331 1.048 -0.983) 9.441 10.343 ( -9.093 -0.554 0.045) 9.110 12.692 ( -16.128 0.152 0.153) 16.130 13.653 ( 5.205 -3.549 -1.450) 6.465 13.763 ( 9.546 3.448 1.342) 10.238 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -11.118 -0.799 0.142) 11.148 2.916 ( -3.442 -1.223 -0.313) 3.666 3.142 ( -8.713 -5.544 -1.548) 10.442 3.278 ( -10.952 -9.722 3.396) 15.033 3.353 ( -7.156 4.803 -4.034) 9.516 3.545 ( 1.190 2.325 2.250) 3.447 3.803 ( -11.673 -5.572 -0.448) 12.942 4.145 ( -9.904 -2.678 0.593) 10.277 4.477 ( -5.700 4.156 -2.085) 7.357 4.749 ( -5.046 -3.084 0.937) 5.988 5.213 ( -9.057 3.031 -0.049) 9.551 5.396 ( -0.725 7.347 1.054) 7.458 7.645 ( -5.440 1.236 0.831) 5.640 8.241 ( 1.248 0.575 2.507) 2.859 9.002 ( -6.800 -2.347 -0.042) 7.194 9.163 ( -4.142 -0.150 -0.150) 4.147 9.378 ( -4.636 -0.590 -2.542) 5.320 9.593 ( 2.115 0.541 1.575) 2.692 9.736 ( 4.901 1.844 -1.148) 5.361 10.132 ( -2.883 -9.475 2.831) 10.301 10.273 ( 6.592 7.292 -2.675) 10.188 12.428 ( -13.099 -2.887 0.069) 13.414 13.663 ( 3.587 -7.059 -1.874) 8.137 13.974 ( 4.799 11.119 2.166) 12.303 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -14.180 -0.622 0.307) 14.197 2.796 ( -7.984 -5.489 0.593) 9.707 2.846 ( -20.458 -9.171 -0.668) 22.430 3.005 ( -1.966 -2.648 -3.254) 4.633 3.365 ( -4.828 4.184 -0.620) 6.419 3.506 ( -7.001 -3.231 3.664) 8.537 3.651 ( 1.230 -0.676 -1.269) 1.892 3.927 ( -11.179 -4.990 1.788) 12.372 4.400 ( -8.537 5.236 -5.541) 11.446 4.643 ( -9.638 4.541 4.140) 11.430 5.082 ( -8.845 2.819 -0.426) 9.293 5.414 ( -7.364 9.857 -0.149) 12.305 7.580 ( -4.757 2.754 0.160) 5.499 8.276 ( 1.457 0.589 5.066) 5.304 8.862 ( -6.635 -2.520 -0.065) 7.098 9.080 ( -5.158 -0.356 0.012) 5.171 9.277 ( -7.916 2.173 -2.258) 8.514 9.620 ( 1.650 -1.998 -1.151) 2.835 9.793 ( 1.169 -2.598 -2.211) 3.606 10.048 ( 3.002 -2.965 5.092) 6.613 10.499 ( 12.469 3.944 -2.612) 13.337 12.207 ( -8.915 -3.797 -0.373) 9.697 13.631 ( 0.010 -5.247 -0.567) 5.278 14.131 ( 0.230 10.961 1.961) 11.137 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.000 4.055 -2.362) 4.693 2.502 ( -0.000 10.159 5.190) 11.408 2.687 ( 0.000 11.862 -3.209) 12.288 2.852 ( 0.000 5.096 -5.601) 7.572 3.185 ( 0.000 3.326 -2.577) 4.207 3.589 ( 0.000 -0.654 -1.025) 1.216 3.621 ( -0.000 6.586 0.919) 6.650 3.716 ( -0.000 1.652 5.904) 6.131 4.382 ( 0.000 12.044 -6.721) 13.793 4.717 ( -0.000 14.203 7.537) 16.079 5.077 ( 0.000 11.667 -1.488) 11.762 5.510 ( -0.000 15.702 0.171) 15.703 7.474 ( -0.000 9.562 3.310) 10.119 8.470 ( 0.000 -2.974 -2.062) 3.619 8.723 ( 0.000 4.362 -0.402) 4.381 9.032 ( -0.000 3.994 0.558) 4.032 9.415 ( -0.000 9.152 5.723) 10.795 9.463 ( 0.000 4.578 -2.806) 5.370 9.526 ( -0.000 -10.347 1.993) 10.537 10.275 ( -0.000 -9.637 2.095) 9.862 10.697 ( 0.000 -9.568 -3.834) 10.307 12.014 ( 0.000 1.947 -1.527) 2.474 13.612 ( -0.000 3.148 1.263) 3.392 14.271 ( -0.000 4.909 1.110) 5.033 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 11.516 2.633 -1.527) 11.912 2.661 ( 5.075 9.537 3.367) 11.315 2.770 ( 4.659 2.177 -10.605) 11.786 2.945 ( 1.251 10.244 3.890) 11.030 3.301 ( 9.684 3.973 -1.499) 10.574 3.562 ( -1.326 -0.662 -0.747) 1.660 3.677 ( -0.521 3.211 2.555) 4.136 3.807 ( 7.642 2.830 2.664) 8.573 4.458 ( -1.967 9.790 -5.034) 11.183 4.810 ( -0.306 3.479 5.446) 6.470 5.213 ( -0.683 16.039 -1.339) 16.110 5.621 ( -3.810 12.974 0.353) 13.527 7.586 ( 1.357 9.148 3.741) 9.976 8.410 ( -2.742 -3.513 -1.964) 4.870 8.797 ( 4.003 3.672 -0.286) 5.439 9.082 ( 1.422 3.556 0.496) 3.861 9.417 ( -0.766 -1.322 -2.778) 3.170 9.524 ( 3.119 0.765 5.635) 6.486 9.581 ( 5.203 5.331 0.982) 7.514 10.149 ( -5.256 -6.981 0.612) 8.760 10.555 ( -4.984 -7.906 -2.924) 9.792 12.097 ( 7.419 2.843 -1.064) 8.016 13.645 ( 0.394 1.395 0.363) 1.494 14.264 ( -5.806 3.447 1.135) 6.847 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 9.457 3.163 -0.993) 10.021 2.838 ( 10.608 4.920 -3.375) 12.170 2.901 ( 8.675 3.813 -0.120) 9.477 3.089 ( 6.336 4.697 0.685) 7.917 3.498 ( 2.720 1.485 -0.148) 3.102 3.556 ( 3.869 3.802 1.301) 5.578 3.734 ( 5.860 3.019 1.349) 6.728 4.012 ( 11.897 3.309 0.758) 12.372 4.491 ( -2.790 7.655 -3.348) 8.809 4.827 ( 0.319 -0.465 2.818) 2.873 5.327 ( -2.535 12.531 -1.038) 12.827 5.629 ( -7.787 8.339 0.865) 11.442 7.710 ( 2.412 7.979 3.490) 9.037 8.308 ( -4.099 -4.170 -1.679) 6.084 8.918 ( 6.447 2.702 -0.151) 6.992 9.147 ( 2.151 3.049 0.314) 3.745 9.403 ( 0.446 -0.492 -2.156) 2.256 9.595 ( 1.845 2.138 5.635) 6.303 9.725 ( 5.940 2.547 -2.253) 6.844 9.987 ( -5.769 -5.687 1.014) 8.164 10.399 ( -4.928 -3.528 -1.977) 6.375 12.306 ( 12.563 5.077 -0.426) 13.557 13.639 ( -0.892 -1.914 -0.650) 2.210 14.151 ( -10.731 1.608 1.319) 10.931 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 5.878 1.385 -1.614) 6.251 3.010 ( 2.367 7.164 -0.093) 7.545 3.163 ( 14.994 3.157 -1.167) 15.367 3.213 ( 5.274 -2.217 1.900) 6.028 3.482 ( -0.769 -1.451 -0.097) 1.645 3.707 ( 6.157 7.956 0.730) 10.086 3.950 ( 12.553 3.911 0.167) 13.149 4.243 ( 9.818 3.489 0.122) 10.421 4.513 ( -0.899 5.647 -1.702) 5.966 4.850 ( 3.873 -1.335 1.007) 4.218 5.356 ( -4.711 6.057 -0.576) 7.695 5.525 ( -11.191 3.018 0.960) 11.631 7.836 ( 3.273 6.634 3.027) 7.993 8.188 ( -4.417 -4.826 -1.871) 6.804 9.057 ( 7.187 1.803 0.018) 7.409 9.208 ( 1.629 2.428 0.104) 2.926 9.403 ( -0.055 0.201 -1.265) 1.282 9.644 ( -0.847 3.213 1.997) 3.876 9.753 ( -3.311 0.385 0.466) 3.366 9.886 ( 1.174 -8.493 -0.617) 8.596 10.358 ( 1.352 2.938 -0.769) 3.324 12.603 ( 15.023 7.511 0.162) 16.796 13.580 ( -1.594 -4.818 -1.605) 5.323 13.946 ( -14.220 -0.752 1.580) 14.327 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( 5.737 1.303 -0.545) 5.908 3.078 ( -1.359 4.203 -0.553) 4.452 3.246 ( 3.224 -2.961 1.880) 4.764 3.339 ( 0.570 1.052 -0.701) 1.387 3.498 ( 4.907 1.031 -0.227) 5.019 3.898 ( 6.503 4.870 -0.044) 8.125 4.182 ( 10.284 2.680 0.947) 10.670 4.356 ( -0.003 2.900 -1.375) 3.209 4.591 ( 4.783 4.172 -0.018) 6.347 4.965 ( 10.121 0.521 0.233) 10.137 5.281 ( -7.362 -0.536 0.469) 7.396 5.329 ( -12.042 -1.571 -0.105) 12.145 7.959 ( 2.808 6.061 3.269) 7.436 8.061 ( -3.464 -5.845 -2.935) 7.401 9.186 ( 6.061 0.966 0.208) 6.141 9.247 ( 0.478 1.974 -0.076) 2.032 9.397 ( -0.416 0.210 -0.353) 0.584 9.599 ( -5.050 0.151 -1.271) 5.210 9.745 ( -0.979 2.106 5.741) 6.193 9.810 ( 0.346 -6.330 -4.104) 7.551 10.453 ( 4.328 3.217 -0.170) 5.395 12.944 ( 15.219 8.666 0.514) 17.521 13.502 ( -1.016 -4.817 -2.402) 5.478 13.674 ( -15.285 -3.765 1.943) 15.861 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -4.171 0.871 1.567) 4.540 3.092 ( 5.497 -0.778 -1.596) 5.776 3.279 ( -2.407 -1.063 -1.130) 2.863 3.302 ( 1.404 1.096 1.295) 2.202 3.566 ( -0.150 0.088 -0.092) 0.197 3.976 ( -0.130 -0.030 -0.011) 0.134 4.313 ( 0.302 -0.192 -0.036) 0.359 4.334 ( -0.663 -0.042 -0.004) 0.665 4.709 ( 2.541 1.068 0.123) 2.759 5.121 ( -8.116 -6.359 -0.550) 10.324 5.145 ( -5.216 2.830 0.627) 5.967 5.164 ( 10.158 2.147 -0.176) 10.384 7.930 ( -5.424 -2.534 -0.023) 5.987 8.079 ( 4.655 2.279 0.034) 5.183 9.250 ( 0.345 0.279 -0.126) 0.461 9.264 ( -0.110 -0.370 0.116) 0.403 9.412 ( 2.343 1.075 0.017) 2.578 9.523 ( -2.830 -1.182 -0.017) 3.067 9.696 ( -3.159 -1.374 0.007) 3.445 9.835 ( 3.467 1.506 -0.002) 3.780 10.514 ( 0.190 0.092 0.000) 0.211 13.202 ( 0.026 0.002 -0.000) 0.026 13.411 ( -2.603 -1.243 0.004) 2.884 13.497 ( 2.591 1.237 -0.003) 2.871 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -3.585 -1.155 2.614) 4.584 3.097 ( -2.316 -4.606 -4.776) 7.028 3.254 ( -0.514 4.077 3.131) 5.166 3.358 ( 3.282 -0.752 -1.330) 3.620 3.478 ( -6.348 -5.197 0.828) 8.245 3.888 ( -8.188 -4.039 -0.002) 9.130 4.179 ( -9.809 -6.485 0.620) 11.775 4.337 ( -0.359 -2.044 -1.359) 2.480 4.664 ( -5.133 1.136 0.205) 5.262 4.902 ( -6.007 -11.505 -0.559) 12.990 5.255 ( 6.299 10.206 0.938) 12.030 5.323 ( 3.656 5.574 -0.306) 6.673 7.823 ( -4.722 -1.491 0.203) 4.956 8.168 ( 3.171 2.190 0.393) 3.874 9.194 ( -4.220 -3.695 0.193) 5.612 9.249 ( -0.923 -0.453 -0.426) 1.113 9.465 ( -2.020 1.104 -4.112) 4.713 9.492 ( 4.153 -1.759 3.372) 5.631 9.669 ( -1.005 3.908 0.837) 4.121 9.920 ( 5.454 0.136 -0.165) 5.459 10.456 ( -5.140 -2.527 -0.138) 5.729 12.945 ( -15.858 -7.340 0.517) 17.482 13.457 ( 7.333 -6.075 -2.053) 9.741 13.719 ( 8.958 14.518 1.559) 17.131 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( -4.282 -2.390 2.824) 5.659 2.966 ( -5.383 -3.581 -3.792) 7.495 3.219 ( -8.224 -7.076 0.413) 10.857 3.302 ( -2.657 -4.763 2.938) 6.195 3.415 ( 1.036 -0.825 -3.386) 3.636 3.658 ( -10.859 -2.909 1.475) 11.338 3.912 ( -10.364 -10.283 -0.476) 14.607 4.251 ( -6.785 -4.612 0.345) 8.212 4.605 ( -5.028 3.560 -2.226) 6.550 4.744 ( -0.945 -6.530 0.951) 6.666 5.384 ( -3.918 7.566 -0.791) 8.557 5.458 ( 4.115 10.536 1.607) 11.425 7.744 ( -4.386 0.646 1.046) 4.555 8.230 ( 1.795 1.849 0.914) 2.734 9.069 ( -5.296 -4.901 0.051) 7.216 9.213 ( -2.454 -0.938 -0.107) 2.630 9.408 ( -1.928 -2.151 -3.653) 4.657 9.562 ( 2.652 0.833 3.472) 4.447 9.731 ( 1.150 6.862 -0.904) 7.016 10.002 ( 5.510 -5.147 0.815) 7.584 10.336 ( -4.871 0.028 -0.974) 4.967 12.609 ( -14.128 -8.822 0.223) 16.657 13.523 ( 5.778 -2.813 -1.638) 6.632 13.999 ( 7.007 13.474 1.570) 15.268 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -9.547 -5.447 -0.498) 11.003 2.856 ( -5.930 -5.668 1.117) 8.279 3.016 ( -6.147 -7.002 0.042) 9.317 3.055 ( -12.985 -7.810 -2.522) 15.361 3.436 ( 0.297 4.379 -1.506) 4.640 3.576 ( -3.346 -3.156 4.104) 6.164 3.664 ( -6.176 -4.628 -1.285) 7.824 4.037 ( -9.417 -8.962 1.093) 13.046 4.549 ( -5.240 4.304 -4.449) 8.110 4.726 ( 0.221 0.534 2.737) 2.797 5.337 ( -10.716 8.857 -0.554) 13.913 5.587 ( -1.324 9.838 1.184) 9.997 7.689 ( -4.392 2.511 1.577) 5.299 8.273 ( 1.110 1.459 2.043) 2.745 8.932 ( -5.435 -4.072 -0.045) 6.792 9.150 ( -3.790 -1.037 0.104) 3.931 9.357 ( -1.328 -0.926 -2.654) 3.108 9.593 ( -0.706 -0.870 2.005) 2.296 9.789 ( -0.873 2.382 -2.467) 3.539 9.988 ( 1.445 -4.099 2.819) 5.180 10.371 ( 6.355 3.485 -1.911) 7.495 12.313 ( -10.454 -8.418 -0.324) 13.426 13.576 ( 2.538 -0.803 -0.701) 2.753 14.211 ( 3.314 11.001 1.431) 11.578 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.000 1.470 -1.261) 1.937 2.700 ( -0.000 6.942 3.746) 7.889 2.722 ( 0.000 0.791 -10.152) 10.183 3.071 ( -0.000 11.363 5.377) 12.571 3.225 ( 0.000 2.031 -2.235) 3.020 3.560 ( 0.000 -1.185 -1.175) 1.668 3.736 ( -0.000 4.597 0.527) 4.627 3.740 ( -0.000 -1.528 3.610) 3.920 4.551 ( 0.000 7.758 -3.529) 8.523 4.836 ( -0.000 -0.251 3.531) 3.539 5.379 ( 0.000 15.582 -1.365) 15.642 5.771 ( -0.000 10.275 0.495) 10.287 7.669 ( -0.000 8.352 3.383) 9.011 8.399 ( 0.000 -3.153 -2.093) 3.785 8.794 ( 0.000 2.984 -0.132) 2.987 9.100 ( -0.000 2.742 0.375) 2.767 9.358 ( -0.000 -7.345 1.180) 7.440 9.483 ( 0.000 2.720 -2.946) 4.009 9.672 ( -0.000 9.565 5.978) 11.279 10.140 ( 0.000 -4.398 -0.780) 4.466 10.511 ( 0.000 -8.100 -2.287) 8.417 12.043 ( 0.000 1.509 -0.979) 1.799 13.668 ( -0.000 2.294 0.099) 2.296 14.347 ( -0.000 2.486 1.082) 2.712 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 13.184 1.474 -0.067) 13.267 2.734 ( 2.772 0.745 -5.850) 6.516 2.824 ( 6.892 4.317 1.949) 8.363 3.111 ( -2.579 4.684 1.085) 5.456 3.394 ( 12.223 5.425 0.759) 13.395 3.539 ( -0.638 -1.022 -0.245) 1.230 3.713 ( -0.308 -0.603 0.985) 1.196 3.855 ( 8.424 1.708 0.548) 8.613 4.594 ( -1.948 5.680 -2.118) 6.367 4.828 ( -0.520 -1.290 1.711) 2.205 5.488 ( -2.324 10.904 -1.132) 11.206 5.814 ( -4.777 6.391 0.520) 7.996 7.758 ( 1.140 6.345 2.401) 6.879 8.336 ( -3.304 -2.925 -1.437) 4.640 8.851 ( 3.768 1.943 -0.021) 4.240 9.138 ( 1.601 1.993 0.197) 2.564 9.341 ( 3.986 -4.033 0.113) 5.672 9.527 ( 3.415 1.092 -0.695) 3.652 9.758 ( -0.571 6.472 3.327) 7.300 10.058 ( -5.633 -2.120 -0.732) 6.063 10.410 ( -2.360 -5.597 -1.607) 6.284 12.139 ( 9.503 1.742 -0.564) 9.678 13.668 ( -2.205 0.875 -0.436) 2.412 14.315 ( -6.177 1.372 1.130) 6.428 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 4.831 1.370 -0.989) 5.118 2.853 ( 19.534 0.789 -0.701) 19.563 3.001 ( 8.491 2.780 1.558) 9.069 3.127 ( 1.538 0.364 -0.295) 1.608 3.493 ( -1.610 -0.435 -0.685) 1.803 3.677 ( 7.656 5.589 1.513) 9.599 3.745 ( 9.719 -2.047 -1.142) 9.998 4.054 ( 13.056 0.926 0.359) 13.094 4.593 ( -2.753 3.553 -0.884) 4.581 4.809 ( -0.039 -1.338 0.366) 1.388 5.503 ( -5.094 5.170 -0.524) 7.277 5.736 ( -9.484 2.341 0.132) 9.769 7.840 ( 2.528 3.307 0.779) 4.235 8.235 ( -5.128 -2.066 -0.407) 5.544 8.952 ( 6.315 0.848 0.098) 6.373 9.189 ( 2.382 1.083 0.044) 2.617 9.381 ( 2.695 -0.602 -0.647) 2.836 9.616 ( 6.150 -0.049 0.383) 6.162 9.787 ( -1.287 2.099 0.622) 2.539 9.913 ( -8.667 -2.084 0.380) 8.923 10.353 ( 0.086 -0.736 -0.810) 1.098 12.377 ( 15.840 2.039 -0.098) 15.971 13.609 ( -4.392 -0.686 -0.974) 4.551 14.173 ( -11.680 0.245 1.180) 11.742 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 5.768 0.453 -0.421) 5.801 3.111 ( 3.783 2.014 1.520) 4.547 3.149 ( 5.370 -2.780 -2.620) 6.590 3.209 ( 13.498 0.738 3.283) 13.911 3.461 ( -1.056 -0.143 -1.563) 1.892 3.790 ( 7.426 -0.258 -0.436) 7.443 3.983 ( 14.198 -0.115 -0.283) 14.202 4.276 ( 10.714 -0.041 -0.008) 10.714 4.582 ( -0.602 0.935 0.787) 1.363 4.824 ( 4.198 -0.602 -0.771) 4.310 5.418 ( -7.628 0.260 -0.005) 7.632 5.550 ( -12.984 -0.501 -0.563) 13.006 7.904 ( 3.852 -1.674 -2.219) 4.750 8.136 ( -5.591 1.191 1.775) 5.986 9.074 ( 7.309 0.014 0.232) 7.313 9.233 ( 1.987 -0.033 -0.009) 1.987 9.405 ( 0.279 0.530 0.203) 0.632 9.690 ( 1.076 -0.112 -5.326) 5.435 9.748 ( -6.785 -3.858 1.701) 7.988 9.794 ( 0.303 3.342 3.470) 4.827 10.390 ( 3.994 0.208 -0.179) 4.004 12.684 ( 18.297 -0.090 0.152) 18.298 13.524 ( -4.181 0.484 -1.182) 4.371 13.940 ( -15.804 -0.431 1.094) 15.848 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 5.156 -1.161 -1.112) 5.401 3.105 ( -1.515 -3.648 3.692) 5.407 3.214 ( 3.391 1.647 -2.759) 4.672 3.357 ( 0.330 0.465 1.739) 1.830 3.490 ( 5.720 -1.630 -1.379) 6.106 3.897 ( 6.658 -5.030 -0.252) 8.348 4.173 ( 9.505 -3.433 -0.377) 10.113 4.366 ( 0.945 -1.811 0.120) 2.046 4.604 ( 4.551 -3.669 1.816) 6.121 4.955 ( 10.152 -1.011 -1.232) 10.276 5.269 ( -9.620 0.203 -1.285) 9.707 5.330 ( -9.955 1.045 0.048) 10.009 7.903 ( 1.505 -6.493 -4.456) 8.017 8.108 ( -1.972 5.455 3.392) 6.719 9.186 ( 5.827 -1.154 0.128) 5.941 9.249 ( 0.728 -1.671 0.247) 1.839 9.408 ( -0.470 0.501 1.287) 1.459 9.609 ( -6.667 1.206 -0.473) 6.792 9.673 ( 1.242 -4.113 -4.478) 6.206 9.861 ( -0.255 6.176 3.502) 7.104 10.455 ( 4.315 -3.045 0.152) 5.283 12.938 ( 14.950 -9.018 -0.266) 17.461 13.521 ( 0.670 7.066 0.119) 7.098 13.660 ( -16.690 1.816 0.149) 16.790 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -0.503 -3.608 0.762) 3.722 3.051 ( -0.138 -4.234 -0.173) 4.240 3.285 ( 3.409 2.618 -1.802) 4.661 3.335 ( -2.441 0.015 2.188) 3.278 3.487 ( -2.049 -7.002 -0.444) 7.309 3.889 ( 0.416 -8.820 -0.241) 8.833 4.189 ( -1.369 -12.660 -0.914) 12.767 4.322 ( -0.662 -0.579 0.747) 1.154 4.651 ( 4.236 -4.519 1.961) 6.497 4.912 ( -7.384 -10.438 -1.828) 12.916 5.270 ( 4.161 9.986 -1.106) 10.875 5.321 ( 3.367 6.867 0.070) 7.648 7.841 ( -0.756 -4.434 -2.580) 5.186 8.161 ( 1.210 4.240 1.585) 4.685 9.196 ( -1.247 -5.671 -0.036) 5.807 9.244 ( 0.552 -0.925 0.247) 1.105 9.423 ( 2.085 -1.562 2.374) 3.525 9.534 ( -4.018 3.163 -2.858) 5.859 9.682 ( 2.951 0.805 -1.391) 3.360 9.907 ( -1.373 4.739 1.870) 5.277 10.454 ( 0.513 -5.883 0.200) 5.909 12.951 ( 1.299 -17.469 -0.377) 17.522 13.439 ( -7.589 3.195 0.547) 8.252 13.730 ( 7.019 15.246 -0.194) 16.785 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( -2.568 -3.659 3.845) 5.896 2.979 ( -2.649 -5.707 -4.287) 7.614 3.273 ( -3.326 -6.447 1.587) 7.426 3.303 ( -6.396 -8.973 -0.426) 11.027 3.379 ( 2.597 2.831 0.050) 3.842 3.748 ( -5.574 -9.015 -0.434) 10.608 3.950 ( -7.840 -13.519 -0.331) 15.631 4.286 ( -3.589 -6.171 0.118) 7.140 4.671 ( 1.999 -2.049 3.059) 4.189 4.708 ( -5.013 -3.540 -3.434) 7.033 5.457 ( 5.441 6.594 1.931) 8.764 5.477 ( 4.359 10.814 -2.140) 11.854 7.792 ( -1.261 -1.365 -0.599) 1.952 8.224 ( 1.667 2.875 0.496) 3.360 9.088 ( -3.677 -6.384 0.091) 7.368 9.228 ( -0.896 -1.644 -0.075) 1.874 9.403 ( -1.409 -3.660 -0.202) 3.927 9.551 ( 1.446 3.828 -0.418) 4.113 9.775 ( 3.520 6.169 0.139) 7.104 9.912 ( -0.441 -1.068 0.508) 1.263 10.378 ( -2.401 -4.397 -0.074) 5.010 12.695 ( -9.389 -16.171 0.083) 18.699 13.447 ( 2.394 3.771 -0.506) 4.495 14.009 ( 7.871 13.958 0.434) 16.030 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -6.804 -9.227 0.096) 11.465 2.883 ( -3.279 -4.664 -0.394) 5.715 3.056 ( -8.085 -10.851 1.213) 13.587 3.136 ( -5.415 -5.855 -1.480) 8.111 3.454 ( 1.613 3.815 -1.426) 4.381 3.600 ( -3.508 -5.051 2.558) 6.660 3.717 ( -6.389 -7.561 -0.585) 9.917 4.079 ( -7.932 -12.080 0.249) 14.454 4.648 ( -3.165 3.298 -3.527) 5.774 4.708 ( 2.662 -0.031 2.916) 3.949 5.541 ( -2.989 7.742 -1.175) 8.381 5.653 ( 3.874 8.119 1.464) 9.114 7.766 ( -1.868 1.073 0.848) 2.315 8.273 ( 1.195 1.938 0.414) 2.315 8.965 ( -3.927 -5.163 -0.012) 6.487 9.185 ( -2.024 -1.754 -0.018) 2.678 9.340 ( -1.113 -3.577 -0.779) 3.826 9.609 ( 0.868 2.492 0.537) 2.693 9.837 ( -3.174 -0.324 -0.661) 3.258 9.930 ( 4.620 2.511 0.811) 5.321 10.331 ( 0.565 -0.162 -0.614) 0.850 12.382 ( -9.761 -13.056 -0.128) 16.302 13.537 ( 3.209 3.360 -0.293) 4.655 14.245 ( 5.305 10.716 0.515) 11.968 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 0.000 0.605 -0.062) 0.608 2.712 ( 0.000 1.339 -1.984) 2.394 2.793 ( -0.000 1.751 0.058) 1.752 3.249 ( -0.000 4.370 0.855) 4.453 3.251 ( -0.000 1.098 0.309) 1.141 3.537 ( 0.000 -0.838 -0.096) 0.843 3.707 ( -0.000 -1.719 0.155) 1.726 3.797 ( 0.000 1.542 -0.138) 1.549 4.651 ( 0.000 3.332 -0.802) 3.427 4.822 ( -0.000 -1.279 0.438) 1.352 5.592 ( 0.000 6.196 -0.681) 6.233 5.903 ( -0.000 3.055 -0.056) 3.056 7.799 ( -0.000 3.159 0.977) 3.306 8.343 ( 0.000 -1.398 -0.843) 1.633 8.834 ( -0.000 1.056 0.079) 1.059 9.139 ( -0.000 1.039 0.030) 1.040 9.259 ( -0.000 -2.925 0.403) 2.953 9.518 ( 0.000 1.427 -0.081) 1.430 9.818 ( -0.000 2.740 1.658) 3.202 10.104 ( 0.000 0.777 -0.705) 1.049 10.374 ( 0.000 -4.364 -0.880) 4.452 12.062 ( 0.000 0.705 -0.377) 0.800 13.699 ( 0.000 0.858 -0.670) 1.089 14.381 ( -0.000 0.593 1.118) 1.266 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 13.569 -0.019 0.089) 13.569 2.750 ( 2.546 2.125 1.883) 3.813 2.861 ( 7.274 -0.800 -1.307) 7.434 3.154 ( -3.685 -0.186 0.048) 3.690 3.462 ( 14.128 -0.482 -0.485) 14.145 3.520 ( -1.370 -0.259 -0.286) 1.423 3.696 ( 0.115 -0.119 -0.639) 0.660 3.874 ( 8.040 -0.118 -0.117) 8.042 4.655 ( -1.840 0.811 0.478) 2.067 4.807 ( -0.528 -0.687 -0.805) 1.183 5.601 ( -2.854 0.529 0.152) 2.907 5.870 ( -5.143 -0.438 -0.895) 5.239 7.821 ( 1.123 -0.891 -0.692) 1.592 8.304 ( -3.572 0.461 0.120) 3.604 8.871 ( 3.633 0.027 0.176) 3.638 9.158 ( 1.638 -0.078 -0.129) 1.645 9.296 ( 5.330 -0.144 -0.300) 5.341 9.546 ( 2.196 0.450 1.188) 2.537 9.816 ( -0.924 -1.164 -0.529) 1.578 10.049 ( -6.898 0.264 0.033) 6.903 10.349 ( -0.327 0.526 -0.193) 0.649 12.157 ( 10.240 0.190 -0.041) 10.242 13.674 ( -3.104 0.044 -1.019) 3.267 14.331 ( -6.336 -0.255 1.128) 6.441 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 9.001 -0.927 -0.834) 9.087 2.891 ( 14.571 1.970 4.101) 15.265 2.982 ( 8.390 -4.441 -1.343) 9.587 3.133 ( 2.180 -0.371 0.632) 2.300 3.490 ( -1.973 0.638 -0.949) 2.281 3.652 ( 8.457 -5.846 -2.307) 10.537 3.749 ( 9.337 0.858 -0.338) 9.383 4.054 ( 13.110 -1.128 0.312) 13.162 4.613 ( -2.639 -1.938 2.012) 3.843 4.793 ( 0.022 0.097 -2.139) 2.141 5.511 ( -5.230 -4.545 0.709) 6.965 5.724 ( -9.513 -3.021 -1.671) 10.120 7.816 ( 2.101 -4.860 -2.525) 5.866 8.247 ( -4.733 2.671 1.147) 5.554 8.953 ( 6.317 -0.792 0.296) 6.373 9.188 ( 2.410 -1.180 -0.098) 2.686 9.386 ( 3.372 1.381 0.038) 3.644 9.602 ( 3.747 -1.468 -1.415) 4.266 9.792 ( 1.241 -1.678 1.333) 2.476 9.911 ( -9.173 1.682 0.051) 9.326 10.359 ( -0.120 1.494 0.083) 1.502 12.379 ( 15.714 -1.863 0.179) 15.825 13.608 ( -4.186 1.030 -1.170) 4.466 14.172 ( -11.771 -0.847 1.035) 11.847 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 4.971 -0.708 0.144) 5.023 3.016 ( 4.007 -7.810 0.443) 8.789 3.169 ( 11.690 0.815 0.314) 11.722 3.219 ( 7.334 -0.858 2.391) 7.762 3.469 ( -1.419 1.800 -1.609) 2.801 3.692 ( 7.091 -8.741 -1.593) 11.368 3.944 ( 12.727 -4.010 -0.758) 13.366 4.241 ( 10.000 -3.585 -0.077) 10.624 4.546 ( -1.478 -4.938 3.183) 6.058 4.826 ( 4.551 0.778 -2.595) 5.296 5.364 ( -5.064 -5.864 0.652) 7.776 5.504 ( -11.252 -3.426 -2.148) 11.957 7.790 ( 2.598 -6.855 -3.515) 8.130 8.211 ( -3.656 4.073 1.211) 5.606 9.059 ( 7.093 -1.818 0.314) 7.329 9.208 ( 1.839 -2.363 0.147) 2.998 9.427 ( -0.169 0.948 2.588) 2.761 9.593 ( 1.377 -4.505 -5.247) 7.052 9.749 ( -7.560 1.110 -0.082) 7.642 9.914 ( 3.646 6.957 3.127) 8.454 10.363 ( 1.033 -2.636 -0.039) 2.832 12.602 ( 14.696 -7.510 0.013) 16.503 13.588 ( -0.712 5.610 -0.571) 5.684 13.938 ( -14.765 -0.145 0.528) 14.775 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 3.173 -2.532 -2.054) 4.549 2.990 ( 1.728 -7.945 3.316) 8.781 3.268 ( 1.617 2.629 -1.394) 3.387 3.317 ( 3.946 -5.924 2.929) 7.697 3.462 ( -1.291 0.077 -1.497) 1.979 3.707 ( 7.154 -13.277 -1.210) 15.130 4.037 ( 5.151 -10.208 -0.371) 11.440 4.294 ( 1.987 -5.594 0.597) 5.966 4.523 ( 4.700 -4.311 2.050) 6.699 4.882 ( 0.834 -5.601 -1.617) 5.889 5.288 ( 1.329 -0.670 0.535) 1.582 5.348 ( -2.486 2.656 -2.538) 4.436 7.763 ( 2.605 -5.924 -3.123) 7.186 8.209 ( -1.434 3.886 0.279) 4.152 9.125 ( 3.234 -5.178 -0.054) 6.105 9.212 ( 1.661 -2.123 0.750) 2.798 9.409 ( -1.262 -1.703 2.807) 3.518 9.605 ( 3.476 -0.699 -4.564) 5.779 9.649 ( -5.128 3.174 -0.041) 6.031 10.025 ( -2.349 9.188 2.495) 9.806 10.343 ( 3.199 -8.018 -0.032) 8.633 12.696 ( 8.447 -13.924 -0.348) 16.289 13.626 ( -7.732 2.021 2.229) 8.297 13.788 ( 0.030 10.866 -1.989) 11.047 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 0.461 -7.671 -0.681) 7.715 2.943 ( -0.719 -3.484 1.336) 3.800 3.218 ( -1.617 -10.929 0.763) 11.074 3.323 ( -3.391 -4.390 -3.442) 6.528 3.389 ( -0.733 -1.172 4.323) 4.539 3.671 ( 2.627 -9.462 -2.245) 10.073 3.911 ( -3.773 -14.269 -0.146) 14.760 4.252 ( -0.467 -7.787 -0.141) 7.802 4.586 ( 5.000 -3.427 3.573) 7.036 4.757 ( -4.617 -3.520 -2.824) 6.456 5.377 ( 8.272 0.629 1.284) 8.395 5.472 ( 6.933 8.544 -2.474) 11.278 7.754 ( 2.411 -3.425 -2.023) 4.652 8.235 ( 0.448 2.932 -0.454) 3.001 9.069 ( -1.577 -7.066 0.075) 7.240 9.212 ( 0.475 -2.492 0.192) 2.544 9.388 ( -0.238 -2.582 2.586) 3.662 9.584 ( -1.674 2.617 -3.322) 4.548 9.725 ( 5.723 3.587 0.814) 6.803 10.003 ( -6.993 3.007 0.417) 7.624 10.331 ( 2.552 -4.615 0.623) 5.310 12.610 ( -0.641 -16.798 -0.132) 16.811 13.515 ( -4.984 3.775 0.823) 6.307 14.007 ( 7.855 12.840 -0.830) 15.075 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -0.000 -0.164 0.844) 0.860 2.762 ( -0.000 2.939 5.163) 5.941 2.770 ( 0.000 -3.261 -3.295) 4.636 3.215 ( 0.000 -6.899 -4.066) 8.008 3.268 ( -0.000 -0.167 2.780) 2.785 3.538 ( -0.000 1.152 -0.016) 1.153 3.696 ( 0.000 0.538 -1.516) 1.609 3.793 ( 0.000 -1.751 -0.762) 1.909 4.668 ( -0.000 -1.825 1.696) 2.492 4.805 ( 0.000 -0.118 -2.054) 2.057 5.603 ( -0.000 -5.385 0.902) 5.460 5.891 ( 0.000 -3.582 -1.790) 4.005 7.782 ( 0.000 -4.561 -1.425) 4.778 8.350 ( -0.000 2.081 -0.027) 2.082 8.835 ( -0.000 -0.989 0.258) 1.022 9.136 ( 0.000 -1.246 -0.427) 1.317 9.255 ( 0.000 2.407 -0.223) 2.417 9.536 ( -0.000 -0.088 2.819) 2.821 9.788 ( 0.000 -5.310 -2.711) 5.962 10.110 ( -0.000 -0.260 0.190) 0.322 10.383 ( -0.000 5.290 0.407) 5.305 12.066 ( -0.000 -0.253 0.213) 0.330 13.694 ( 0.000 -0.861 -1.305) 1.564 14.381 ( -0.000 -1.080 1.152) 1.579 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 12.258 -0.987 0.791) 12.323 2.783 ( 6.891 -5.664 -2.929) 9.388 2.828 ( 2.778 3.099 6.434) 7.662 3.088 ( -0.934 -6.852 -2.351) 7.304 3.389 ( 11.152 -4.324 0.271) 11.964 3.540 ( -1.260 1.696 -0.082) 2.114 3.690 ( 0.126 -0.862 -2.397) 2.550 3.849 ( 8.778 -2.182 -0.409) 9.054 4.628 ( -1.850 -4.146 2.975) 5.428 4.793 ( -0.465 -0.210 -3.343) 3.381 5.503 ( -2.430 -10.749 1.022) 11.067 5.797 ( -4.827 -6.282 -2.099) 8.196 7.728 ( 0.882 -7.107 -1.822) 7.389 8.345 ( -3.173 3.002 -0.417) 4.388 8.854 ( 3.769 -1.855 0.381) 4.218 9.134 ( 1.746 -2.135 -0.347) 2.780 9.335 ( 4.626 4.140 -0.788) 6.258 9.552 ( 1.333 -0.964 3.000) 3.421 9.721 ( 1.421 -7.452 -1.980) 7.840 10.061 ( -5.969 1.699 -0.452) 6.222 10.426 ( -2.477 6.393 0.572) 6.880 12.146 ( 9.369 -1.377 0.434) 9.480 13.661 ( -2.038 -0.835 -1.522) 2.677 14.315 ( -6.241 -1.886 1.115) 6.615 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 10.838 -2.739 -0.071) 11.179 2.841 ( 7.978 -8.613 -1.091) 11.791 2.952 ( 8.387 1.842 5.022) 9.948 3.080 ( 8.102 -5.988 -0.394) 10.083 3.499 ( 3.331 -1.697 0.369) 3.757 3.534 ( 1.063 -2.703 -2.326) 3.721 3.710 ( 7.314 -3.793 -2.031) 8.486 4.008 ( 12.089 -3.855 0.161) 12.690 4.542 ( -2.979 -6.400 4.063) 8.145 4.780 ( 0.892 -0.868 -4.163) 4.345 5.338 ( -2.673 -12.677 0.597) 12.969 5.610 ( -8.015 -7.809 -1.906) 11.352 7.673 ( 2.009 -7.812 -1.752) 8.254 8.311 ( -3.913 3.210 -1.565) 5.298 8.922 ( 6.396 -2.628 0.442) 6.929 9.144 ( 2.327 -3.137 -0.021) 3.906 9.436 ( 2.165 3.137 2.118) 4.361 9.525 ( -0.553 -5.805 -3.741) 6.928 9.763 ( 7.694 -1.386 3.379) 8.517 9.972 ( -6.081 4.612 -1.438) 7.766 10.415 ( -5.351 4.300 0.292) 6.871 12.311 ( 12.247 -4.888 0.381) 13.192 13.635 ( -0.307 2.127 -1.345) 2.535 14.148 ( -11.013 -2.222 0.858) 11.268 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 5.440 -9.602 -1.248) 11.106 2.896 ( 4.080 -2.790 1.794) 5.258 3.131 ( 9.539 -5.155 2.975) 11.244 3.200 ( 10.603 -3.682 1.210) 11.290 3.466 ( -0.782 -10.076 -3.028) 10.550 3.519 ( 0.319 1.865 -1.013) 2.146 3.818 ( 9.444 -8.218 -0.557) 12.531 4.137 ( 8.538 -6.947 -0.170) 11.008 4.444 ( -0.519 -6.585 3.744) 7.593 4.792 ( 3.452 -4.083 -3.319) 6.293 5.215 ( 1.352 -8.554 0.182) 8.662 5.407 ( -5.564 -5.437 -1.646) 7.951 7.644 ( 3.328 -6.593 -1.333) 7.505 8.276 ( -2.880 2.827 -3.049) 5.057 8.999 ( 5.725 -4.556 0.215) 7.320 9.151 ( 2.412 -3.544 0.630) 4.334 9.418 ( -2.022 -5.191 1.611) 5.799 9.527 ( 3.984 1.223 -1.033) 4.294 9.783 ( -5.798 2.726 -0.439) 6.422 10.060 ( 8.621 5.313 1.450) 10.230 10.324 ( -8.348 0.798 -0.392) 8.395 12.426 ( 9.247 -9.821 0.074) 13.489 13.700 ( 2.359 5.003 0.059) 5.532 13.939 ( -10.025 0.373 -0.421) 10.041 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 4.736 -10.306 -0.045) 11.342 2.913 ( 0.811 -2.992 0.591) 3.155 3.130 ( 0.197 -10.535 2.117) 10.747 3.287 ( -0.312 -20.504 1.389) 20.554 3.341 ( 3.553 2.955 -1.476) 4.851 3.559 ( 2.506 1.389 -2.162) 3.589 3.801 ( 0.880 -13.032 0.185) 13.063 4.148 ( 2.784 -9.491 -0.548) 9.906 4.459 ( 6.354 -3.696 3.416) 8.105 4.761 ( -0.391 -5.336 -2.478) 5.896 5.212 ( 6.978 -6.221 0.119) 9.349 5.404 ( 6.915 2.576 -1.387) 7.509 7.652 ( 4.206 -4.407 -1.226) 6.214 8.261 ( -0.936 2.215 -3.386) 4.153 9.001 ( 1.384 -7.085 0.102) 7.220 9.161 ( 2.195 -3.540 0.402) 4.185 9.362 ( 0.776 -4.029 2.279) 4.693 9.601 ( 1.873 1.094 -1.060) 2.414 9.731 ( -2.499 4.706 0.527) 5.354 10.149 ( -6.803 -6.508 -2.120) 9.650 10.256 ( 3.175 9.395 2.472) 10.220 12.428 ( 4.063 -12.911 -0.000) 13.535 13.652 ( -7.812 -0.094 1.452) 7.947 13.988 ( 7.082 9.665 -1.874) 12.127 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -0.000 -0.712 1.936) 2.063 2.642 ( 0.000 -7.911 -4.889) 9.300 2.856 ( -0.000 2.303 9.188) 9.473 2.990 ( 0.000 -12.178 -6.283) 13.703 3.262 ( -0.000 -1.931 3.347) 3.864 3.572 ( -0.000 1.783 0.642) 1.895 3.692 ( 0.000 -0.214 -3.347) 3.354 3.725 ( 0.000 -4.721 -1.136) 4.856 4.603 ( -0.000 -5.955 3.952) 7.147 4.781 ( 0.000 -1.677 -4.342) 4.654 5.393 ( 0.000 -15.780 0.638) 15.793 5.755 ( 0.000 -9.543 -1.722) 9.697 7.641 ( 0.000 -8.515 -0.757) 8.548 8.400 ( 0.000 3.012 -2.190) 3.724 8.799 ( -0.000 -2.866 0.534) 2.915 9.093 ( 0.000 -2.824 -0.651) 2.898 9.343 ( 0.000 6.732 -0.999) 6.806 9.539 ( -0.000 -2.250 4.859) 5.355 9.610 ( 0.000 -10.028 -2.348) 10.299 10.133 ( 0.000 3.221 -1.909) 3.744 10.533 ( -0.000 8.969 0.828) 9.007 12.055 ( -0.000 -1.079 0.740) 1.308 13.655 ( 0.000 -2.413 -1.866) 3.051 14.347 ( -0.000 -3.001 1.131) 3.207 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 10.874 -1.576 2.248) 11.215 2.607 ( 6.638 -10.469 -4.131) 13.066 2.852 ( 4.928 -12.694 -1.435) 13.693 2.936 ( 1.074 1.767 5.026) 5.435 3.325 ( 8.537 -3.438 2.128) 9.447 3.554 ( -2.579 -1.844 -2.298) 3.916 3.648 ( -0.745 -0.590 -0.990) 1.372 3.784 ( 9.115 -4.325 -0.891) 10.128 4.527 ( -2.122 -7.993 4.978) 9.653 4.737 ( -0.016 -5.503 -5.118) 7.515 5.223 ( -0.748 -15.962 0.069) 15.980 5.611 ( -3.928 -12.086 -0.957) 12.744 7.565 ( 1.151 -8.486 0.580) 8.583 8.394 ( -2.990 2.703 -4.398) 5.966 8.803 ( 3.970 -3.546 0.653) 5.363 9.076 ( 1.624 -3.667 -0.415) 4.032 9.430 ( 1.446 1.815 -3.840) 4.487 9.473 ( 0.115 -5.716 1.832) 6.004 9.614 ( 6.739 -1.103 5.398) 8.705 10.120 ( -5.261 5.280 -3.752) 8.345 10.580 ( -5.198 8.908 0.802) 10.345 12.110 ( 7.146 -2.516 0.803) 7.618 13.629 ( 0.716 -1.571 -1.975) 2.623 14.263 ( -5.913 -4.021 0.976) 7.217 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 6.275 -12.804 -2.568) 14.488 2.731 ( 12.698 -3.549 2.485) 13.417 2.877 ( 13.102 -13.954 -1.066) 19.170 3.003 ( 3.653 0.739 5.028) 6.259 3.426 ( 0.234 -3.353 -1.727) 3.778 3.476 ( 4.957 -6.868 -2.360) 8.792 3.653 ( 1.359 0.446 0.409) 1.488 3.903 ( 10.479 -6.868 -0.212) 12.531 4.406 ( -2.574 -9.531 5.296) 11.204 4.655 ( 2.787 -12.677 -5.202) 13.983 5.103 ( 1.404 -7.968 -0.239) 8.094 5.407 ( -4.767 -12.456 -0.117) 13.337 7.525 ( 2.819 -6.858 1.831) 7.638 8.346 ( -3.661 2.210 -6.788) 8.023 8.855 ( 5.915 -4.462 0.518) 7.427 9.070 ( 2.420 -4.477 0.372) 5.103 9.348 ( 0.652 -10.169 -3.368) 10.732 9.519 ( 0.888 3.289 6.329) 7.188 9.786 ( 8.479 2.522 2.248) 9.127 10.069 ( -5.097 6.622 -4.789) 9.632 10.535 ( -9.649 7.986 0.533) 12.537 12.204 ( 7.734 -5.951 0.521) 9.772 13.670 ( 4.673 1.879 -1.581) 5.278 14.088 ( -9.332 -4.299 0.480) 10.286 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 7.413 -13.262 -1.200) 15.240 2.842 ( 4.217 -4.731 1.171) 6.445 2.946 ( 11.003 -18.639 1.812) 21.720 3.061 ( 2.689 -5.925 3.941) 7.607 3.325 ( -0.868 -3.001 -5.217) 6.081 3.523 ( 4.251 -4.623 -0.393) 6.292 3.678 ( 1.128 -2.778 0.693) 3.077 3.972 ( 6.632 -9.741 -0.699) 11.805 4.329 ( 3.609 -7.303 4.836) 9.473 4.599 ( 8.148 -13.873 -4.546) 16.719 5.086 ( 0.910 -3.921 -0.169) 4.028 5.284 ( 4.703 -6.830 0.521) 8.309 7.535 ( 4.259 -4.486 1.833) 6.452 8.296 ( -2.399 1.785 -7.501) 8.075 8.890 ( 3.808 -6.387 0.183) 7.438 9.076 ( 3.200 -4.455 0.917) 5.561 9.274 ( 2.503 -8.653 -0.748) 9.039 9.587 ( 1.873 2.482 6.080) 6.829 9.848 ( -4.182 3.663 -0.936) 5.638 10.094 ( 1.617 0.897 -3.835) 4.257 10.454 ( -8.656 11.135 1.349) 14.168 12.242 ( 5.116 -8.718 0.243) 10.111 13.745 ( -2.177 -1.044 0.472) 2.460 13.960 ( 1.718 2.306 -1.643) 3.312 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.000 -10.094 -1.723) 10.240 2.463 ( -0.000 -3.330 0.211) 3.337 2.646 ( 0.000 -17.701 -4.862) 18.357 2.971 ( -0.000 2.518 7.976) 8.364 3.213 ( -0.000 -4.504 1.652) 4.798 3.570 ( 0.000 -3.130 -3.332) 4.571 3.609 ( 0.000 -6.329 -0.819) 6.381 3.679 ( -0.000 0.810 0.119) 0.818 4.470 ( -0.000 -10.089 6.082) 11.780 4.625 ( 0.000 -15.880 -5.819) 16.913 5.088 ( 0.000 -11.006 -0.060) 11.006 5.507 ( 0.000 -15.283 0.072) 15.283 7.477 ( -0.000 -8.092 3.332) 8.752 8.433 ( 0.000 2.279 -7.140) 7.495 8.732 ( -0.000 -4.255 0.883) 4.345 9.023 ( 0.000 -4.020 -0.787) 4.096 9.334 ( 0.000 -13.000 -3.866) 13.562 9.501 ( 0.000 9.846 -1.618) 9.978 9.572 ( -0.000 -0.846 10.913) 10.946 10.217 ( 0.000 7.229 -6.594) 9.784 10.730 ( -0.000 10.832 1.056) 10.884 12.033 ( -0.000 -1.577 1.141) 1.946 13.587 ( 0.000 -3.637 -2.341) 4.326 14.269 ( -0.000 -5.602 0.797) 5.659 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 7.514 -15.518 -3.662) 17.626 2.481 ( 7.118 -12.051 -0.374) 14.001 2.561 ( 9.182 -7.724 0.101) 11.999 3.004 ( -0.025 1.004 6.839) 6.912 3.239 ( 8.164 -6.857 -0.017) 10.661 3.440 ( -4.305 -6.418 -4.108) 8.752 3.658 ( 7.285 -4.323 0.051) 8.471 3.689 ( 1.025 -0.777 0.376) 1.340 4.348 ( -1.695 -15.664 7.258) 17.347 4.422 ( 1.482 -22.043 -7.167) 23.226 5.028 ( 1.157 -3.367 0.560) 3.604 5.329 ( -2.635 -15.809 0.930) 16.054 7.430 ( 1.682 -6.333 5.929) 8.837 8.407 ( -3.007 2.045 -9.851) 10.501 8.725 ( 3.946 -4.668 0.883) 6.176 8.992 ( 1.382 -4.676 -0.280) 4.883 9.211 ( 1.184 -12.092 -3.487) 12.640 9.567 ( -0.710 2.908 9.210) 9.684 9.685 ( 7.590 6.599 1.616) 10.186 10.233 ( -5.296 9.200 -8.767) 13.767 10.778 ( -7.178 10.973 1.065) 13.156 12.060 ( 4.349 -2.892 1.027) 5.323 13.582 ( 4.449 -2.404 -2.357) 5.579 14.160 ( -5.391 -7.038 0.353) 8.872 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 8.090 -16.768 -2.602) 18.798 2.522 ( 14.952 -20.415 -0.951) 25.323 2.689 ( 8.656 -3.331 3.071) 9.770 3.023 ( 0.533 -1.377 6.200) 6.374 3.243 ( 2.167 -12.776 -5.540) 14.093 3.370 ( 4.306 -3.508 -0.731) 5.602 3.690 ( -0.253 1.353 0.684) 1.537 3.747 ( 8.730 -8.642 -0.491) 12.294 4.175 ( 4.493 -22.334 4.183) 23.162 4.275 ( 4.868 -15.034 -4.770) 16.507 5.059 ( 4.690 -0.972 1.003) 4.894 5.142 ( -2.785 -12.205 1.844) 12.654 7.437 ( 3.365 -3.881 6.632) 8.389 8.346 ( -3.564 2.179 -11.143) 11.900 8.758 ( 4.782 -5.524 0.454) 7.320 8.979 ( 2.805 -5.031 1.038) 5.853 9.126 ( 2.708 -10.765 -2.165) 11.309 9.609 ( 0.479 1.985 10.391) 10.590 9.870 ( 4.812 5.027 -0.246) 6.963 10.196 ( -7.252 10.040 -9.032) 15.329 10.729 ( -10.265 11.444 1.232) 15.423 12.097 ( 4.080 -5.021 0.592) 6.497 13.682 ( 7.800 -0.217 -1.939) 8.041 13.980 ( -5.840 -6.931 -0.297) 9.068 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 0.000 -18.108 -3.925) 18.529 2.240 ( 0.000 -21.631 -5.074) 22.218 2.463 ( -0.000 -0.134 5.344) 5.345 3.028 ( -0.000 -0.600 6.972) 6.998 3.088 ( 0.000 -8.417 -2.303) 8.726 3.421 ( 0.000 -10.118 -3.897) 10.842 3.491 ( -0.000 -5.237 0.468) 5.258 3.695 ( -0.000 -2.025 0.923) 2.225 4.083 ( 0.000 -31.273 -3.184) 31.435 4.274 ( -0.000 -13.321 2.679) 13.588 4.975 ( -0.000 -8.179 2.342) 8.507 5.221 ( -0.000 -9.240 1.433) 9.351 7.377 ( -0.000 -4.833 10.041) 11.144 8.433 ( 0.000 2.402 -11.793) 12.036 8.646 ( -0.000 -4.877 1.126) 5.006 8.934 ( 0.000 -4.574 -0.819) 4.647 9.077 ( 0.000 -11.207 -3.239) 11.665 9.618 ( -0.000 -0.165 13.837) 13.838 9.702 ( 0.000 11.232 -1.858) 11.384 10.362 ( 0.000 12.282 -12.129) 17.262 10.965 ( -0.000 12.841 1.377) 12.914 12.005 ( -0.000 -1.724 1.332) 2.179 13.493 ( 0.000 -5.012 -2.533) 5.616 14.128 ( 0.000 -9.160 -0.485) 9.173 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 7.981 -20.283 -3.284) 22.043 2.086 ( 9.751 -22.673 -3.660) 24.950 2.539 ( 6.859 -0.904 6.114) 9.233 3.008 ( 0.927 -5.627 3.481) 6.681 3.044 ( 2.929 -9.944 -3.120) 10.825 3.286 ( 0.459 -9.640 -1.460) 9.761 3.526 ( 7.667 -6.623 0.155) 10.132 3.609 ( 3.360 -21.813 -0.456) 22.075 3.863 ( 1.787 -12.021 -2.514) 12.410 4.135 ( -0.717 -13.748 2.081) 13.923 4.873 ( 3.332 -17.542 2.934) 18.095 5.177 ( -2.432 2.871 2.210) 4.364 7.380 ( 1.827 -2.867 11.793) 12.273 8.406 ( -3.105 3.589 -12.529) 13.398 8.634 ( 3.598 -4.994 0.880) 6.218 8.897 ( 1.198 -4.883 0.121) 5.029 8.984 ( 1.525 -9.434 -2.656) 9.918 9.644 ( -0.068 0.357 12.674) 12.680 9.852 ( 4.480 9.402 -1.246) 10.489 10.417 ( -5.997 15.154 -12.902) 20.786 11.017 ( -8.714 12.946 1.596) 15.687 12.011 ( 2.096 -2.359 1.061) 3.329 13.510 ( 8.364 -4.062 -2.284) 9.574 13.984 ( -4.603 -11.099 -1.435) 12.101 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.000 -23.084 -3.000) 23.278 1.759 ( 0.000 -25.592 -4.891) 26.055 2.487 ( -0.000 -1.005 8.800) 8.857 2.876 ( 0.000 -10.346 -7.125) 12.562 2.975 ( 0.000 -8.201 -0.764) 8.236 3.061 ( -0.000 -34.189 2.086) 34.253 3.311 ( 0.000 -22.278 -1.452) 22.325 3.414 ( -0.000 -3.154 1.128) 3.349 3.824 ( -0.000 -0.081 1.130) 1.133 4.012 ( 0.000 -12.962 0.489) 12.971 4.662 ( -0.000 -19.804 3.028) 20.034 5.251 ( -0.000 6.235 2.804) 6.837 7.371 ( -0.000 -1.888 14.326) 14.449 8.456 ( 0.000 6.187 -11.187) 12.784 8.556 ( -0.000 -4.658 1.122) 4.792 8.843 ( 0.000 -4.301 -0.711) 4.360 8.884 ( 0.000 -7.162 -2.738) 7.668 9.668 ( -0.000 -1.195 12.218) 12.277 9.911 ( 0.000 10.723 -1.654) 10.850 10.612 ( 0.000 19.991 -14.627) 24.771 11.245 ( -0.000 15.165 2.532) 15.375 11.978 ( -0.000 -1.616 1.241) 2.037 13.363 ( 0.000 -7.586 -1.227) 7.685 13.897 ( 0.000 -13.760 -4.129) 14.366 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( -0.000 0.000 26.074) 26.074 0.343 ( -0.000 0.000 26.074) 26.074 0.819 ( -0.000 0.000 65.114) 65.114 2.148 ( 0.000 -0.000 -9.952) 9.952 2.148 ( 0.000 -0.000 -9.952) 9.952 2.717 ( -0.000 0.000 6.216) 6.216 2.717 ( -0.000 0.000 6.216) 6.216 3.335 ( 0.000 -0.000 -0.804) 0.804 3.335 ( 0.000 -0.000 -0.804) 0.804 3.876 ( 0.000 -0.000 -23.594) 23.594 4.276 ( 0.000 -0.000 -1.146) 1.146 5.499 ( 0.000 -0.000 -0.139) 0.139 8.402 ( 0.000 -0.000 -0.193) 0.193 8.402 ( 0.000 -0.000 -0.193) 0.193 8.699 ( -0.000 0.000 0.093) 0.093 8.699 ( -0.000 0.000 0.093) 0.093 9.104 ( 0.000 -0.000 -2.255) 2.255 9.420 ( -0.000 0.000 9.251) 9.251 10.278 ( -0.000 0.000 1.271) 1.271 10.278 ( -0.000 0.000 1.271) 1.271 11.919 ( 0.000 -0.000 -1.084) 1.084 11.919 ( 0.000 -0.000 -1.084) 1.084 12.658 ( 0.000 -0.000 -0.046) 0.046 15.738 ( -0.000 0.000 1.553) 1.553 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 21.450 12.384 14.012) 28.457 0.898 ( 22.187 12.810 25.001) 35.797 1.311 ( 32.858 18.971 31.002) 48.997 2.221 ( 7.442 4.297 -10.870) 13.856 2.281 ( 13.280 7.667 -9.561) 18.071 2.711 ( -1.038 -0.600 6.920) 7.023 2.893 ( 10.302 5.948 4.945) 12.883 3.345 ( 0.905 0.523 -0.713) 1.265 3.431 ( 8.228 4.750 -1.586) 9.632 3.823 ( 2.080 1.201 -20.111) 20.254 4.249 ( -1.070 -0.618 -2.755) 3.020 5.446 ( -3.828 -2.210 -0.170) 4.423 7.456 ( -22.374 -12.917 12.620) 28.753 8.427 ( 1.974 1.139 0.003) 2.279 8.663 ( 0.518 0.299 -5.009) 5.045 8.713 ( 1.401 0.809 -0.001) 1.617 9.024 ( -9.418 -5.437 8.313) 13.688 9.469 ( 5.145 2.971 -3.110) 6.706 10.229 ( -4.216 -2.434 1.262) 5.029 11.198 ( 9.575 5.528 -22.902) 25.431 11.922 ( -1.510 -0.872 -8.871) 9.041 11.929 ( 0.813 0.469 -1.065) 1.420 12.871 ( 20.939 12.089 0.228) 24.179 14.147 ( -55.527 -32.058 76.754) 100.011 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 21.416 12.364 8.276) 26.077 1.394 ( 18.917 10.922 20.963) 30.275 2.161 ( 34.127 19.704 0.592) 39.411 2.408 ( 10.478 6.049 -12.895) 17.682 2.645 ( 20.403 11.780 -1.318) 23.597 2.708 ( -0.409 -0.236 9.240) 9.252 3.158 ( 11.361 6.559 7.114) 14.923 3.375 ( 1.964 1.134 -0.476) 2.317 3.665 ( 12.718 7.342 -4.057) 15.235 3.875 ( 3.042 1.756 -7.102) 7.923 4.275 ( 7.181 4.146 -9.892) 12.908 5.337 ( -5.534 -3.195 -0.903) 6.453 7.257 ( -0.586 -0.338 -8.306) 8.333 8.488 ( 3.324 1.919 -0.022) 3.838 8.661 ( -0.653 -0.377 -5.379) 5.432 8.761 ( 2.776 1.603 0.073) 3.206 8.856 ( -6.375 -3.681 17.517) 19.001 9.554 ( 3.575 2.064 -8.390) 9.351 10.101 ( -7.232 -4.175 1.676) 8.517 11.025 ( -14.645 -8.455 1.881) 17.015 11.628 ( -19.136 -11.048 -3.812) 22.423 11.948 ( 1.076 0.621 -1.361) 1.843 13.406 ( 20.152 11.635 -1.676) 23.330 13.624 ( -8.615 -4.974 32.705) 34.185 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 17.892 10.330 5.073) 21.273 1.845 ( 17.887 10.327 10.875) 23.343 2.570 ( 4.606 2.659 -9.102) 10.542 2.666 ( 13.797 7.966 -14.945) 21.844 2.778 ( 6.230 3.597 6.248) 9.528 3.256 ( 29.997 17.319 6.823) 35.304 3.411 ( 9.682 5.590 6.848) 13.111 3.434 ( 3.278 1.892 0.036) 3.785 3.862 ( -2.140 -1.235 -0.690) 2.565 3.985 ( 16.150 9.324 -3.549) 18.983 4.569 ( 18.387 10.616 -8.223) 22.769 5.210 ( -4.911 -2.835 -0.879) 5.739 7.303 ( 5.488 3.169 -9.500) 11.420 8.571 ( 4.023 2.323 -0.242) 4.652 8.578 ( -5.735 -3.311 5.606) 8.676 8.836 ( 3.775 2.180 0.293) 4.369 8.862 ( 3.531 2.039 9.177) 10.043 9.605 ( 2.886 1.666 -8.847) 9.454 9.920 ( -8.984 -5.187 2.218) 10.609 10.677 ( -16.106 -9.299 9.154) 20.728 11.205 ( -16.133 -9.314 -5.504) 19.425 11.970 ( 1.146 0.662 -1.731) 2.179 13.508 ( -0.584 -0.337 8.136) 8.164 13.883 ( 14.869 8.585 4.165) 17.668 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 13.089 7.557 2.214) 15.275 2.238 ( 15.506 8.952 3.027) 18.158 2.606 ( 0.605 0.349 0.463) 0.839 2.852 ( 6.634 3.830 -10.617) 13.092 2.972 ( 9.275 5.355 -1.909) 10.879 3.521 ( 4.301 2.483 0.714) 5.017 3.611 ( 6.577 3.797 8.071) 11.083 3.681 ( 0.736 0.425 -1.754) 1.949 3.990 ( 18.255 10.539 -2.211) 21.194 4.373 ( 18.487 10.673 2.061) 21.446 4.914 ( 8.483 4.898 -0.371) 9.803 5.197 ( 8.137 4.698 -3.788) 10.131 7.434 ( 7.106 4.102 -5.342) 9.791 8.467 ( -5.086 -2.936 8.007) 9.929 8.662 ( 3.991 2.304 -0.480) 4.633 8.927 ( 4.155 2.399 0.518) 4.826 9.017 ( 8.461 4.885 3.952) 10.539 9.654 ( 3.152 1.820 -6.831) 7.740 9.716 ( -9.361 -5.404 2.448) 11.083 10.374 ( -12.168 -7.025 7.962) 16.150 10.887 ( -11.378 -6.569 -5.373) 14.194 11.992 ( 1.178 0.680 -1.847) 2.294 13.532 ( 1.324 0.764 3.381) 3.710 14.162 ( 9.472 5.469 2.041) 11.126 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 8.203 4.736 -0.594) 9.490 2.548 ( 11.816 6.822 -3.458) 14.076 2.622 ( 0.491 0.284 4.351) 4.388 2.955 ( 4.389 2.534 -2.857) 5.818 3.159 ( 7.655 4.420 -3.917) 9.669 3.622 ( 4.253 2.456 1.273) 5.074 3.625 ( -2.900 -1.674 -1.523) 3.678 3.719 ( 1.456 0.841 6.503) 6.717 4.332 ( 11.865 6.850 -5.464) 14.750 4.735 ( 8.464 4.887 5.395) 11.163 5.054 ( 10.949 6.321 -0.053) 12.642 5.491 ( 13.959 8.059 -2.079) 16.252 7.585 ( 6.723 3.881 -1.278) 7.867 8.388 ( -3.316 -1.915 5.446) 6.658 8.745 ( 3.352 1.935 -0.516) 3.905 9.019 ( 3.736 2.157 0.565) 4.351 9.239 ( 10.259 5.923 0.863) 11.878 9.520 ( -8.353 -4.822 2.086) 9.868 9.718 ( 3.528 2.037 -3.796) 5.568 10.166 ( -7.557 -4.363 4.752) 9.936 10.658 ( -8.394 -4.846 -3.361) 10.259 12.015 ( 1.180 0.681 -1.531) 2.050 13.574 ( 1.771 1.023 1.767) 2.703 14.330 ( 5.411 3.124 0.680) 6.285 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 4.175 2.410 -2.704) 5.528 2.646 ( 0.524 0.302 6.188) 6.217 2.744 ( 6.777 3.913 -8.144) 11.294 3.052 ( 4.103 2.369 4.285) 6.388 3.294 ( 5.051 2.916 -4.300) 7.246 3.568 ( -1.950 -1.126 -0.179) 2.259 3.709 ( 2.973 1.717 1.630) 3.801 3.714 ( -2.258 -1.304 3.445) 4.321 4.533 ( 7.344 4.240 -2.953) 8.980 4.801 ( -0.396 -0.229 3.307) 3.338 5.374 ( 13.908 8.030 -1.010) 16.091 5.740 ( 7.820 4.515 1.057) 9.091 7.718 ( 4.831 2.789 0.814) 5.637 8.340 ( -1.662 -0.960 2.373) 3.052 8.808 ( 2.278 1.315 -0.349) 2.654 9.092 ( 2.541 1.467 0.411) 2.963 9.359 ( -6.005 -3.467 1.232) 7.043 9.453 ( 8.221 4.746 -1.814) 9.665 9.785 ( 2.093 1.209 0.036) 2.418 10.061 ( -1.937 -1.119 1.764) 2.849 10.485 ( -6.599 -3.810 -1.489) 7.763 12.038 ( 1.031 0.595 -0.871) 1.475 13.614 ( 1.423 0.822 1.454) 2.194 14.418 ( 2.575 1.487 -0.484) 3.012 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 1.682 0.971 -3.518) 4.018 2.662 ( -0.624 -0.360 6.440) 6.480 2.838 ( 3.694 2.133 -7.307) 8.461 3.132 ( 0.955 0.551 6.037) 6.137 3.366 ( 2.159 1.247 -4.250) 4.927 3.537 ( -0.508 -0.293 -0.499) 0.770 3.664 ( -2.142 -1.237 2.196) 3.308 3.757 ( 0.904 0.522 1.801) 2.081 4.659 ( 4.310 2.488 -1.206) 5.121 4.776 ( -2.090 -1.207 2.305) 3.337 5.610 ( 6.690 3.862 -1.878) 7.950 5.841 ( 0.852 0.492 2.958) 3.118 7.791 ( 1.116 0.644 0.921) 1.583 8.321 ( -0.414 -0.239 0.730) 0.872 8.843 ( 0.836 0.483 -0.204) 0.987 9.131 ( 0.829 0.479 0.229) 0.984 9.264 ( -2.485 -1.435 0.296) 2.885 9.590 ( 4.618 2.666 -3.828) 6.564 9.786 ( -2.074 -1.197 2.962) 3.809 10.088 ( 2.791 1.611 0.007) 3.222 10.360 ( -3.688 -2.129 -0.117) 4.260 12.056 ( 0.638 0.369 -0.145) 0.751 13.640 ( 0.491 0.283 1.564) 1.664 14.450 ( 0.548 0.316 -1.446) 1.578 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.511 0.295 -3.745) 3.792 2.636 ( -3.102 -1.791 5.902) 6.904 2.899 ( 3.032 1.751 -4.010) 5.324 3.090 ( -5.697 -3.289 4.151) 7.779 3.374 ( -0.619 -0.358 -3.705) 3.773 3.548 ( 1.303 0.753 -0.824) 1.716 3.642 ( -0.158 -0.091 1.813) 1.822 3.755 ( -1.475 -0.852 1.684) 2.395 4.702 ( -1.624 -0.938 0.448) 1.928 4.743 ( 0.035 0.020 1.046) 1.047 5.632 ( -5.196 -3.000 -0.970) 6.078 5.819 ( -2.506 -1.447 2.317) 3.707 7.768 ( -3.059 -1.766 -0.514) 3.570 8.321 ( 0.102 0.059 1.190) 1.196 8.843 ( -0.762 -0.440 -0.183) 0.898 9.128 ( -1.096 -0.633 0.033) 1.266 9.254 ( 1.664 0.960 -0.218) 1.933 9.648 ( 0.575 0.332 -3.225) 3.292 9.723 ( -3.263 -1.884 1.300) 3.986 10.100 ( -1.915 -1.105 0.774) 2.342 10.373 ( 4.765 2.751 0.817) 5.563 12.064 ( 0.052 0.030 0.334) 0.340 13.641 ( -0.752 -0.434 1.695) 1.905 14.439 ( -1.150 -0.664 -2.127) 2.508 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 0.133 0.077 -4.162) 4.165 2.540 ( -6.534 -3.773 5.197) 9.162 2.894 ( -10.159 -5.865 3.802) 12.331 2.971 ( 1.978 1.142 -3.081) 3.835 3.325 ( -3.111 -1.796 -2.305) 4.268 3.568 ( 0.051 0.029 1.036) 1.038 3.662 ( 1.522 0.879 -0.658) 1.877 3.699 ( -3.669 -2.118 1.151) 4.390 4.629 ( -4.657 -2.689 2.493) 5.927 4.738 ( -1.422 -0.821 -0.895) 1.870 5.393 ( -14.773 -8.529 0.459) 17.064 5.727 ( -6.608 -3.815 0.573) 7.652 7.665 ( -5.260 -3.037 -2.717) 6.654 8.326 ( -0.153 -0.088 3.237) 3.242 8.809 ( -2.233 -1.289 -0.316) 2.598 9.085 ( -2.632 -1.519 0.047) 3.039 9.334 ( 5.362 3.095 -0.231) 6.195 9.534 ( -9.126 -5.269 2.683) 10.874 9.709 ( 1.188 0.686 -7.038) 7.170 10.071 ( -0.076 -0.044 3.302) 3.303 10.525 ( 7.894 4.557 1.263) 9.202 12.059 ( -0.571 -0.330 0.373) 0.758 13.614 ( -1.971 -1.138 1.641) 2.806 14.387 ( -3.039 -1.754 -2.373) 4.236 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -10.890 -6.287 3.355) 13.014 2.495 ( 0.416 0.240 -3.890) 3.919 2.603 ( -15.385 -8.883 1.793) 17.855 3.024 ( 2.119 1.223 -0.236) 2.458 3.225 ( -5.632 -3.251 0.096) 6.503 3.541 ( -2.963 -1.711 -0.037) 3.421 3.602 ( -4.851 -2.800 0.189) 5.604 3.691 ( 1.103 0.637 -0.913) 1.567 4.490 ( -9.171 -5.295 4.159) 11.377 4.606 ( -12.932 -7.466 -3.561) 15.351 5.076 ( -9.383 -5.417 1.482) 10.935 5.513 ( -12.205 -7.047 -0.652) 14.108 7.541 ( -4.620 -2.668 -5.523) 7.679 8.331 ( -0.138 -0.080 6.310) 6.312 8.742 ( -3.491 -2.016 -0.692) 4.090 9.014 ( -3.606 -2.082 0.379) 4.181 9.302 ( -11.349 -6.552 2.289) 13.303 9.488 ( 8.164 4.713 0.231) 9.429 9.714 ( 0.755 0.436 -9.229) 9.270 10.124 ( 4.024 2.323 6.074) 7.647 10.726 ( 9.687 5.593 1.436) 11.277 12.041 ( -1.074 -0.620 -0.028) 1.241 13.560 ( -3.051 -1.761 1.338) 3.769 14.288 ( -5.509 -3.181 -1.901) 6.640 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -15.610 -9.013 2.730) 18.231 2.218 ( -19.115 -11.036 1.995) 22.163 2.498 ( 0.640 0.370 -5.364) 5.414 3.048 ( -0.448 -0.259 0.623) 0.810 3.070 ( -8.407 -4.854 3.202) 10.223 3.414 ( -8.484 -4.898 -1.791) 9.958 3.495 ( -4.260 -2.459 -0.784) 4.981 3.700 ( -1.823 -1.053 -0.544) 2.174 4.060 ( -27.144 -15.672 3.645) 31.554 4.294 ( -11.874 -6.856 -3.227) 14.086 4.979 ( -6.056 -3.496 1.014) 7.066 5.234 ( -7.898 -4.560 -2.293) 9.403 7.443 ( -2.673 -1.543 -9.504) 9.993 8.360 ( 1.488 0.859 9.765) 9.915 8.653 ( -4.181 -2.414 -1.054) 4.942 8.929 ( -3.978 -2.297 0.668) 4.642 9.062 ( -9.860 -5.693 2.032) 11.565 9.692 ( 9.586 5.535 1.009) 11.115 9.702 ( 0.129 0.075 -11.142) 11.143 10.289 ( 9.472 5.469 9.634) 14.575 10.968 ( 11.572 6.681 0.567) 13.374 12.012 ( -1.368 -0.790 -0.670) 1.716 13.481 ( -4.320 -2.494 0.967) 5.082 14.127 ( -8.664 -5.002 -0.185) 10.006 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -0.000 23.890 15.540) 28.500 0.956 ( -0.000 27.801 21.821) 35.342 1.396 ( -0.000 33.839 37.033) 50.165 2.151 ( 0.000 5.713 -12.504) 13.748 2.296 ( 0.000 16.957 -10.216) 19.796 2.767 ( -0.000 1.546 7.698) 7.852 2.853 ( -0.000 8.924 5.413) 10.437 3.335 ( 0.000 0.568 -1.244) 1.367 3.428 ( 0.000 8.589 -2.084) 8.838 3.775 ( 0.000 3.408 -21.165) 21.437 4.239 ( 0.000 -1.422 -6.030) 6.195 5.448 ( -0.000 -4.717 2.179) 5.197 7.468 ( -0.000 -32.062 15.488) 35.607 8.415 ( 0.000 1.701 -0.465) 1.763 8.655 ( 0.000 0.064 -5.257) 5.257 8.720 ( -0.000 1.951 0.268) 1.969 9.032 ( -0.000 -7.957 6.298) 10.148 9.454 ( 0.000 3.162 -1.159) 3.367 10.246 ( -0.000 -4.259 1.927) 4.674 11.251 ( 0.000 26.993 -28.360) 39.152 11.804 ( -0.000 -13.862 0.731) 13.881 11.915 ( 0.000 0.460 -1.617) 1.682 12.845 ( -0.000 18.650 2.534) 18.822 14.360 ( -0.000 -60.416 65.775) 89.311 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 13.151 23.360 10.792) 28.898 1.337 ( 9.940 18.880 23.200) 31.520 1.975 ( 16.939 34.187 8.924) 39.183 2.291 ( 10.062 8.948 -11.941) 17.997 2.522 ( 8.677 17.881 -4.661) 20.414 2.781 ( -2.019 4.514 8.427) 9.771 3.056 ( 9.395 8.112 6.870) 14.187 3.362 ( 2.052 1.875 -1.062) 2.976 3.562 ( 6.662 8.850 -6.060) 12.626 3.829 ( 3.457 7.099 -10.759) 13.345 4.221 ( 1.541 2.564 -11.599) 11.979 5.373 ( -3.264 -5.365 2.524) 6.768 7.238 ( -2.113 -8.143 -0.423) 8.423 8.461 ( 2.635 2.661 -0.387) 3.765 8.640 ( 0.115 -0.853 -6.124) 6.184 8.751 ( 1.022 2.859 0.415) 3.064 8.949 ( -4.234 -4.655 14.425) 15.738 9.493 ( 2.582 1.073 -6.461) 7.040 10.171 ( -3.725 -4.644 2.145) 6.328 11.197 ( -13.283 -2.768 -6.576) 15.078 11.610 ( -3.623 -23.030 -0.882) 23.330 11.948 ( 1.294 0.376 -3.236) 3.505 13.215 ( 17.401 18.490 2.637) 25.527 13.871 ( -17.230 -15.741 37.255) 43.961 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 12.901 21.783 7.366) 26.366 1.739 ( 12.490 15.711 14.681) 24.867 2.432 ( 12.592 8.410 -12.387) 19.564 2.562 ( 8.104 14.846 -15.443) 22.903 2.812 ( 0.673 8.002 9.516) 12.451 3.023 ( 21.620 24.030 8.668) 33.466 3.297 ( 9.131 4.135 5.628) 11.495 3.441 ( 3.181 6.201 0.755) 7.010 3.804 ( 13.199 8.603 -6.507) 17.046 3.878 ( -1.129 0.216 -1.908) 2.227 4.395 ( 13.060 13.996 -12.485) 22.854 5.256 ( -4.741 -5.146 2.634) 7.476 7.224 ( 4.120 0.898 -5.441) 6.883 8.542 ( 2.947 3.444 -0.456) 4.556 8.606 ( -1.029 -2.580 -3.196) 4.235 8.811 ( 2.274 3.283 1.140) 4.153 8.904 ( -2.104 1.486 15.414) 15.627 9.529 ( 3.470 -0.672 -8.426) 9.137 10.047 ( -7.318 -2.642 2.450) 8.157 10.859 ( -16.183 -11.475 6.051) 20.741 11.260 ( -9.292 -20.282 -5.162) 22.899 11.964 ( 0.833 1.420 -2.104) 2.671 13.624 ( -1.922 9.676 3.933) 10.620 13.701 ( 10.606 1.648 13.054) 16.900 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 8.873 19.081 4.733) 21.569 2.118 ( 12.331 14.072 5.737) 19.570 2.607 ( 3.904 5.005 -5.610) 8.472 2.752 ( 6.670 6.900 -14.492) 17.381 2.954 ( 3.336 11.749 3.739) 12.773 3.454 ( 6.043 1.383 3.179) 6.967 3.587 ( 7.796 9.164 0.594) 12.046 3.618 ( 11.224 12.406 4.402) 17.299 3.854 ( 5.137 3.797 -1.549) 6.574 4.161 ( 18.028 10.313 -1.270) 20.808 4.782 ( 15.535 13.486 -5.069) 21.188 5.152 ( -1.606 -2.900 1.152) 3.510 7.337 ( 7.143 3.608 -3.965) 8.931 8.518 ( -3.322 -3.921 2.568) 5.745 8.645 ( 2.646 5.002 -0.550) 5.685 8.897 ( 3.404 3.769 0.930) 5.163 8.980 ( 3.399 5.654 9.370) 11.460 9.566 ( 4.130 -1.518 -7.034) 8.297 9.887 ( -10.437 0.058 2.285) 10.684 10.508 ( -12.678 -11.896 7.974) 19.127 10.931 ( -7.924 -14.300 -6.486) 17.588 11.997 ( 0.850 3.115 -1.822) 3.707 13.592 ( -4.481 4.870 4.377) 7.934 14.009 ( 13.533 2.846 2.771) 14.104 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 4.020 16.222 1.787) 16.808 2.442 ( 10.046 11.973 -1.270) 15.681 2.678 ( -0.878 6.836 1.137) 6.986 2.877 ( 5.705 2.930 -7.424) 9.811 3.144 ( 4.195 12.285 -1.390) 13.056 3.561 ( 4.171 0.747 4.242) 5.996 3.641 ( -1.527 -1.486 -4.610) 5.079 3.766 ( 1.563 7.748 5.801) 9.804 4.170 ( 14.121 8.681 -5.046) 17.327 4.587 ( 17.445 9.264 4.584) 20.277 4.990 ( 2.588 3.277 1.556) 4.456 5.301 ( 15.572 6.648 -3.089) 17.211 7.497 ( 7.600 3.972 -1.318) 8.676 8.430 ( -3.408 -3.373 3.986) 6.235 8.735 ( 2.074 5.292 -0.611) 5.717 8.994 ( 3.179 4.063 0.494) 5.182 9.150 ( 7.209 6.377 4.452) 10.604 9.594 ( 0.779 -1.946 -2.393) 3.181 9.734 ( -7.297 2.658 -0.293) 7.772 10.249 ( -8.219 -8.322 5.536) 12.940 10.685 ( -5.334 -11.127 -4.464) 13.122 12.043 ( -0.061 5.527 -1.533) 5.736 13.588 ( -1.534 2.876 1.992) 3.820 14.216 ( 9.450 -0.583 1.045) 9.525 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -0.613 13.641 -0.754) 13.675 2.673 ( 6.182 8.454 -6.960) 12.575 2.730 ( -2.674 8.979 4.354) 10.331 2.982 ( 5.548 1.292 0.227) 5.701 3.312 ( 2.275 11.503 -2.742) 12.042 3.567 ( -1.451 -2.382 1.062) 2.984 3.651 ( 2.766 -0.330 1.436) 3.134 3.839 ( -3.215 8.563 2.617) 9.514 4.420 ( 9.850 4.326 -3.871) 11.433 4.795 ( 2.062 -0.125 4.696) 5.130 5.201 ( 14.526 7.782 -0.626) 16.491 5.601 ( 12.865 3.405 -0.100) 13.308 7.653 ( 6.399 3.333 0.559) 7.236 8.360 ( -2.141 -2.653 2.548) 4.256 8.811 ( 1.016 4.998 -0.512) 5.126 9.079 ( 2.157 3.566 0.403) 4.187 9.321 ( 5.452 1.226 0.957) 5.670 9.523 ( -6.265 4.703 1.204) 7.925 9.742 ( 3.497 1.365 -2.105) 4.303 10.086 ( -4.383 -5.072 2.972) 7.333 10.508 ( -3.606 -8.550 -2.100) 9.514 12.092 ( -1.619 7.906 -0.996) 8.131 13.599 ( 0.517 0.251 1.499) 1.605 14.331 ( 6.477 -2.998 -0.298) 7.144 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -3.654 11.492 -1.963) 12.217 2.762 ( -3.064 7.594 3.630) 8.958 2.804 ( 1.431 7.218 -6.519) 9.830 3.084 ( 4.626 0.155 3.137) 5.591 3.426 ( -0.531 9.773 -2.248) 10.042 3.528 ( -1.406 -1.366 1.457) 2.443 3.671 ( 0.248 -1.286 1.961) 2.358 3.857 ( -4.932 9.378 0.827) 10.628 4.584 ( 6.799 2.029 -1.626) 7.280 4.793 ( -1.030 -1.738 2.857) 3.499 5.489 ( 11.291 3.935 -1.374) 12.036 5.779 ( 6.528 -1.440 2.190) 7.035 7.766 ( 3.325 1.673 1.377) 3.969 8.318 ( -0.502 -2.066 0.634) 2.218 8.861 ( -0.328 4.202 -0.336) 4.228 9.134 ( 0.722 2.566 0.253) 2.678 9.316 ( -3.345 -0.421 0.900) 3.489 9.559 ( 1.812 5.380 -2.053) 6.037 9.800 ( 1.149 0.378 0.837) 1.471 10.026 ( 1.949 -3.286 0.765) 3.896 10.384 ( -2.770 -5.044 -0.507) 5.777 12.134 ( -3.397 9.347 -0.372) 9.952 13.613 ( 1.627 -1.897 1.680) 3.012 14.382 ( 4.403 -4.655 -1.368) 6.552 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -5.101 10.082 -2.322) 11.535 2.767 ( -6.439 7.692 4.869) 11.151 2.869 ( 1.625 4.289 -5.667) 7.290 3.126 ( -0.404 -1.504 2.822) 3.223 3.463 ( -5.872 8.151 -0.972) 10.093 3.509 ( 2.001 -1.854 -0.283) 2.743 3.660 ( -1.223 0.374 1.821) 2.225 3.861 ( -5.341 8.630 0.737) 10.175 4.680 ( 3.434 0.182 -1.252) 3.660 4.753 ( -1.845 -2.148 2.826) 4.001 5.624 ( 2.922 -1.702 -1.761) 3.813 5.808 ( 0.817 -5.124 3.221) 6.108 7.791 ( -1.223 -0.859 0.888) 1.738 8.305 ( 0.903 -1.627 0.158) 1.867 8.879 ( -1.820 3.247 -0.261) 3.731 9.153 ( -1.014 1.538 0.171) 1.851 9.280 ( -1.973 2.967 0.642) 3.621 9.618 ( 1.806 1.196 -3.401) 4.032 9.783 ( -3.209 0.373 1.686) 3.644 10.050 ( 3.667 -5.482 0.003) 6.595 10.336 ( 1.011 -0.070 0.578) 1.167 12.155 ( -4.880 9.266 0.085) 10.473 13.622 ( 1.564 -2.812 1.967) 3.772 14.388 ( 2.816 -5.772 -2.128) 6.766 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -5.542 8.991 -2.511) 10.856 2.707 ( -9.863 5.898 3.923) 12.143 2.927 ( 2.250 2.670 -2.828) 4.493 3.040 ( -8.408 -2.024 2.259) 8.938 3.418 ( -6.050 5.529 -2.403) 8.541 3.535 ( 2.032 -1.795 0.802) 2.827 3.645 ( -1.039 -0.022 1.444) 1.779 3.842 ( -6.933 8.066 0.296) 10.640 4.668 ( -2.774 -2.881 0.410) 4.020 4.733 ( 0.433 -1.255 1.264) 1.833 5.518 ( -9.096 -8.026 -0.367) 12.137 5.750 ( -1.854 -6.566 1.801) 7.056 7.719 ( -4.791 -2.726 -0.833) 5.575 8.312 ( 1.296 -1.713 1.878) 2.853 8.862 ( -3.374 2.433 -0.311) 4.172 9.130 ( -2.893 0.675 0.058) 2.971 9.317 ( 1.393 4.983 0.778) 5.232 9.609 ( -2.436 -3.062 -1.213) 4.097 9.728 ( -3.969 2.882 -2.746) 5.621 10.036 ( 2.065 -5.121 1.619) 5.754 10.418 ( 7.063 0.882 1.112) 7.204 12.149 ( -5.636 7.631 0.193) 9.489 13.619 ( 0.375 -2.133 2.087) 3.008 14.357 ( 1.185 -6.614 -2.469) 7.158 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -10.704 2.206 2.911) 11.310 2.571 ( -8.150 8.405 -3.088) 12.108 2.818 ( -15.297 -1.909 2.569) 15.629 2.988 ( 2.558 1.582 -1.839) 3.525 3.354 ( -7.670 5.170 -2.056) 9.476 3.513 ( -1.299 -5.255 3.112) 6.244 3.651 ( 1.791 -0.011 -0.827) 1.973 3.781 ( -8.838 6.523 -0.306) 10.989 4.563 ( -5.308 -5.065 0.487) 7.353 4.695 ( -4.660 -3.315 0.541) 5.744 5.216 ( -13.991 -8.851 0.834) 16.577 5.602 ( -7.330 -8.859 0.192) 11.500 7.593 ( -5.775 -2.757 -3.239) 7.172 8.322 ( 1.259 -2.109 5.150) 5.706 8.811 ( -4.864 1.661 -0.526) 5.167 9.072 ( -4.216 -0.075 0.102) 4.218 9.382 ( -2.178 -1.746 2.946) 4.059 9.501 ( -3.233 3.709 -1.441) 5.127 9.707 ( -1.358 3.154 -7.576) 8.318 10.060 ( 4.753 -2.523 4.670) 7.125 10.576 ( 10.685 -0.087 1.227) 10.756 12.116 ( -5.471 4.980 -0.073) 7.398 13.601 ( -1.672 -0.056 1.955) 2.573 14.286 ( -0.965 -7.454 -2.199) 7.832 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -17.423 -0.873 2.425) 17.612 2.477 ( -17.990 -1.386 0.776) 18.060 2.570 ( -7.144 6.096 -2.366) 9.685 3.032 ( 1.427 0.444 -1.810) 2.348 3.235 ( -11.144 2.596 1.365) 11.523 3.422 ( -2.727 -6.591 1.055) 7.210 3.660 ( -8.781 4.568 -0.490) 9.910 3.693 ( -0.018 0.104 -0.653) 0.661 4.376 ( -18.323 -9.178 6.918) 21.630 4.394 ( -14.377 -10.022 -6.820) 18.806 5.027 ( -2.806 -0.401 0.976) 2.998 5.337 ( -11.931 -9.941 -1.533) 15.606 7.472 ( -4.639 -1.386 -6.756) 8.311 8.343 ( 2.098 -2.007 9.293) 9.736 8.731 ( -5.907 1.003 -0.797) 6.045 8.990 ( -4.889 -0.785 0.101) 4.953 9.194 ( -11.016 -5.013 2.195) 12.300 9.612 ( 5.349 4.524 -4.102) 8.119 9.712 ( -0.107 6.188 -6.435) 8.928 10.175 ( 9.118 -0.223 8.391) 12.394 10.779 ( 13.458 -0.583 0.549) 13.482 12.065 ( -4.504 2.279 -0.569) 5.080 13.568 ( -4.358 2.683 1.757) 5.411 14.165 ( -3.861 -8.442 -1.036) 9.341 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -0.000 24.573 10.841) 26.859 1.511 ( -0.000 21.168 21.281) 30.016 2.231 ( 0.000 7.242 -12.707) 14.625 2.255 ( -0.000 38.432 1.633) 38.467 2.647 ( -0.000 22.615 -0.581) 22.622 2.855 ( -0.000 4.259 7.469) 8.598 3.096 ( -0.000 12.521 8.271) 15.006 3.349 ( 0.000 1.629 -1.424) 2.164 3.584 ( 0.000 10.185 -10.296) 14.483 3.873 ( 0.000 9.341 -4.796) 10.501 4.219 ( 0.000 7.579 -15.443) 17.203 5.350 ( -0.000 -6.485 4.862) 8.105 7.175 ( -0.000 -5.858 0.733) 5.904 8.463 ( 0.000 3.390 -0.548) 3.434 8.615 ( 0.000 -1.668 -5.780) 6.016 8.775 ( -0.000 3.486 0.386) 3.508 8.982 ( -0.000 -1.375 14.083) 14.150 9.466 ( 0.000 0.145 -6.681) 6.683 10.133 ( -0.000 -8.142 2.386) 8.484 11.277 ( 0.000 -9.679 -3.780) 10.391 11.411 ( 0.000 -22.135 -1.892) 22.216 11.923 ( 0.000 1.146 -1.942) 2.255 13.245 ( -0.000 15.831 7.231) 17.404 13.943 ( -0.000 -10.402 23.487) 25.688 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 10.946 22.447 8.902) 26.513 1.800 ( 5.280 19.705 15.268) 25.481 2.329 ( 6.629 7.729 -11.581) 15.421 2.578 ( 4.296 17.880 -19.055) 26.481 2.914 ( 0.983 11.821 8.418) 14.545 3.038 ( 10.665 27.235 11.007) 31.251 3.256 ( 2.778 9.205 6.282) 11.486 3.421 ( 5.440 4.858 0.343) 7.302 3.716 ( 5.837 10.439 -8.656) 14.764 3.915 ( -1.788 3.051 -2.637) 4.411 4.363 ( 6.065 19.157 -14.381) 24.710 5.275 ( -2.782 -6.104 5.898) 8.932 7.168 ( 2.354 0.851 -0.231) 2.514 8.527 ( 2.953 4.100 -0.524) 5.080 8.581 ( -0.357 -2.015 -5.325) 5.705 8.823 ( 1.101 4.062 0.851) 4.294 8.996 ( -2.180 2.232 15.563) 15.872 9.460 ( 1.554 -0.729 -8.116) 8.295 10.060 ( 0.215 -7.780 2.589) 8.203 11.003 ( -12.947 -18.501 8.182) 24.018 11.172 ( -5.494 -15.461 -9.186) 18.805 11.949 ( 1.655 1.306 -2.260) 3.091 13.501 ( 12.566 7.186 7.402) 16.258 13.862 ( -8.057 3.605 9.303) 12.824 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 9.691 17.243 8.095) 21.372 2.143 ( 9.138 21.489 6.042) 24.120 2.519 ( 9.409 6.244 -8.969) 14.421 2.723 ( 3.359 9.426 -17.712) 20.344 3.063 ( 1.381 12.949 6.359) 14.492 3.373 ( 5.561 2.390 3.977) 7.243 3.539 ( 10.419 19.619 2.504) 22.354 3.609 ( 7.335 9.400 3.424) 12.405 3.840 ( 1.117 3.262 -2.564) 4.296 4.018 ( 10.099 13.875 -3.287) 17.474 4.689 ( 11.551 19.365 -8.302) 24.029 5.174 ( -4.025 -4.734 5.415) 8.242 7.263 ( 5.350 4.289 0.348) 6.866 8.525 ( -1.769 -2.731 -2.704) 4.231 8.640 ( 4.065 5.289 -1.174) 6.773 8.892 ( 2.041 4.196 1.827) 5.011 9.041 ( -0.411 6.092 12.561) 13.966 9.474 ( 3.104 -0.980 -7.374) 8.061 9.994 ( -2.099 -4.339 2.483) 5.422 10.610 ( -13.489 -16.550 7.389) 22.593 10.898 ( -7.679 -13.261 -7.679) 17.140 11.998 ( 2.253 3.251 -1.799) 4.345 13.728 ( 2.570 -0.352 6.135) 6.660 13.848 ( 2.826 8.901 1.577) 9.471 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 7.706 13.251 4.139) 15.878 2.501 ( 5.405 22.447 0.399) 23.092 2.711 ( 7.180 6.989 -3.231) 10.528 2.822 ( 3.069 6.836 -11.909) 14.070 3.231 ( 1.308 13.760 3.797) 14.334 3.494 ( 5.910 0.996 3.624) 7.004 3.654 ( -1.958 -0.829 -3.398) 4.008 3.806 ( 5.151 9.120 2.905) 10.869 4.044 ( 10.002 11.970 -4.779) 16.314 4.407 ( 16.545 14.468 4.012) 22.342 5.018 ( 3.221 10.191 0.303) 10.693 5.122 ( 7.539 0.949 -0.567) 7.619 7.416 ( 6.727 5.106 1.253) 8.538 8.452 ( -2.730 -3.518 -0.091) 4.454 8.756 ( 2.865 6.512 -0.765) 7.156 8.983 ( 3.199 4.432 0.986) 5.555 9.151 ( 2.429 7.615 7.426) 10.910 9.516 ( 4.330 -0.412 -4.425) 6.205 9.898 ( -7.149 -0.702 1.197) 7.282 10.304 ( -7.925 -10.866 5.424) 14.502 10.638 ( -5.955 -12.685 -5.410) 15.021 12.082 ( 2.429 6.418 -1.319) 6.988 13.697 ( -5.787 3.845 1.789) 7.175 14.030 ( 10.164 -1.234 1.502) 10.348 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 4.640 11.040 0.532) 11.987 2.734 ( 0.164 16.631 -4.300) 17.179 2.886 ( 0.582 14.635 1.894) 14.769 2.917 ( 4.347 4.760 -4.862) 8.075 3.376 ( 1.830 8.340 1.783) 8.723 3.597 ( 2.419 -0.828 -1.325) 2.880 3.606 ( -0.725 4.058 2.925) 5.055 3.961 ( 1.163 10.252 1.282) 10.397 4.289 ( 9.679 6.163 -4.671) 12.389 4.746 ( 7.324 4.544 5.518) 10.234 5.082 ( 6.033 6.013 0.162) 8.519 5.398 ( 14.050 3.724 -0.795) 14.556 7.582 ( 6.543 4.756 1.786) 8.284 8.372 ( -2.472 -3.784 0.730) 4.579 8.856 ( 1.141 7.124 -0.524) 7.234 9.080 ( 2.722 4.273 0.165) 5.069 9.276 ( 3.185 4.391 2.939) 6.169 9.591 ( 3.853 1.838 -0.048) 4.269 9.767 ( -6.607 0.177 -1.047) 6.692 10.137 ( -5.916 -3.485 2.947) 7.472 10.442 ( -1.687 -11.787 -2.662) 12.201 12.193 ( 1.106 10.280 -0.841) 10.374 13.638 ( -4.349 1.274 1.106) 4.665 14.155 ( 8.566 -5.693 0.147) 10.287 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 0.046 9.490 -1.436) 9.598 2.841 ( -1.907 11.362 -2.997) 11.904 2.993 ( -2.895 13.368 -1.793) 13.795 3.044 ( 1.448 8.270 1.627) 8.552 3.441 ( 1.410 -1.014 1.913) 2.584 3.624 ( 1.164 5.976 -2.587) 6.616 3.671 ( -1.911 6.368 4.913) 8.267 4.046 ( -3.616 11.566 -0.335) 12.123 4.473 ( 7.949 2.797 -2.538) 8.801 4.799 ( -0.722 -0.799 3.889) 4.035 5.321 ( 12.109 4.399 -0.884) 12.914 5.615 ( 10.419 -2.455 1.332) 10.787 7.725 ( 4.637 3.601 2.259) 6.291 8.303 ( -1.144 -3.764 -0.308) 3.946 8.927 ( -0.757 6.833 -0.436) 6.889 9.151 ( 1.137 3.521 0.054) 3.700 9.339 ( 0.736 1.070 1.206) 1.773 9.628 ( -3.184 3.311 1.733) 4.909 9.745 ( 4.644 -0.418 -1.895) 5.033 10.021 ( -5.211 -1.966 0.098) 5.570 10.346 ( 0.791 -6.116 -0.230) 6.171 12.305 ( -2.049 13.799 -0.423) 13.957 13.585 ( -1.419 -2.396 1.470) 3.150 14.215 ( 7.044 -8.481 -1.083) 11.078 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -3.272 8.658 -1.300) 9.347 2.896 ( -2.772 9.246 -0.688) 9.677 3.035 ( -7.744 13.685 -1.557) 15.801 3.124 ( 0.956 4.050 -0.130) 4.163 3.448 ( 2.044 -2.901 1.320) 3.786 3.670 ( -4.120 3.266 3.638) 6.393 3.707 ( -3.188 11.577 -0.418) 12.015 4.073 ( -6.454 12.222 -0.746) 13.842 4.600 ( 5.635 0.534 -1.356) 5.820 4.771 ( -1.897 -1.474 3.028) 3.865 5.509 ( 7.915 -1.370 -1.297) 8.137 5.702 ( 5.199 -7.372 2.526) 9.368 7.801 ( 0.462 1.226 2.500) 2.823 8.264 ( 0.895 -3.243 -1.463) 3.668 8.961 ( -2.423 5.979 -0.395) 6.464 9.187 ( -0.440 2.589 0.146) 2.630 9.348 ( -1.420 2.699 1.437) 3.371 9.612 ( -0.831 0.336 0.032) 0.897 9.817 ( 2.502 1.313 -1.115) 3.038 9.932 ( -0.131 -6.031 -0.607) 6.063 10.330 ( 0.194 0.163 0.516) 0.574 12.378 ( -6.243 15.144 -0.179) 16.382 13.556 ( 1.695 -4.472 2.066) 5.210 14.229 ( 5.955 -10.153 -1.988) 11.937 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -5.423 8.601 -0.551) 10.183 2.920 ( -4.369 6.176 1.892) 7.798 3.000 ( -8.266 10.400 -3.551) 13.751 3.148 ( -3.075 4.084 -0.490) 5.136 3.471 ( 3.170 -1.949 0.546) 3.761 3.602 ( -8.312 4.071 2.327) 9.544 3.733 ( -5.481 7.949 1.022) 9.709 4.067 ( -7.891 11.315 -0.833) 13.820 4.657 ( 1.165 -1.791 -2.269) 3.117 4.730 ( -1.328 -1.072 4.052) 4.397 5.531 ( -1.118 -6.824 -1.378) 7.051 5.675 ( 1.702 -9.661 2.828) 10.209 7.772 ( -3.970 -1.432 1.465) 4.467 8.263 ( 2.190 -2.452 -0.489) 3.324 8.961 ( -3.854 5.142 -0.392) 6.438 9.186 ( -2.180 1.687 0.059) 2.757 9.369 ( -0.641 5.003 1.694) 5.320 9.593 ( -0.534 -2.719 -0.669) 2.851 9.828 ( -3.010 3.252 -1.648) 4.728 9.915 ( 5.033 -6.324 -0.414) 8.093 10.349 ( 1.476 0.593 0.959) 1.858 12.382 ( -9.451 12.858 -0.101) 15.958 13.566 ( 3.180 -3.013 2.411) 5.000 14.213 ( 4.888 -10.931 -2.442) 12.221 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -8.107 6.160 0.529) 10.195 2.836 ( -10.545 5.471 -0.449) 11.889 2.998 ( -2.009 6.635 -2.002) 7.216 3.079 ( -11.367 5.939 -0.065) 12.825 3.493 ( -3.398 -2.149 3.523) 5.346 3.515 ( -0.998 2.009 -1.965) 2.982 3.687 ( -7.082 5.128 1.444) 8.862 4.015 ( -9.688 8.607 -0.874) 12.988 4.584 ( -3.735 -5.365 -1.912) 6.811 4.728 ( -1.284 0.354 3.233) 3.497 5.342 ( -10.365 -8.947 -0.037) 13.693 5.587 ( -1.791 -10.413 1.344) 10.651 7.665 ( -6.071 -2.178 -0.407) 6.463 8.279 ( 2.080 -2.328 2.538) 4.024 8.928 ( -5.418 4.162 -0.406) 6.844 9.146 ( -3.894 0.799 -0.227) 3.981 9.421 ( -0.707 3.640 3.421) 5.045 9.534 ( -1.301 -3.041 -3.638) 4.917 9.803 ( -3.308 4.073 -2.090) 5.648 9.955 ( 4.109 -1.271 0.536) 4.335 10.407 ( 6.718 -2.746 1.372) 7.386 12.315 ( -10.226 8.122 -0.147) 13.059 13.609 ( 2.082 1.146 2.294) 3.303 14.170 ( 3.267 -11.067 -2.283) 11.763 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -14.560 -0.557 1.466) 14.644 2.748 ( -8.864 9.034 -2.690) 12.939 2.871 ( -19.639 5.388 0.933) 20.386 3.026 ( -0.333 3.277 -2.153) 3.935 3.408 ( -2.411 -5.848 3.325) 7.146 3.469 ( -9.734 4.571 -0.083) 10.755 3.656 ( 0.477 1.290 -0.418) 1.438 3.903 ( -11.392 5.551 -0.414) 12.680 4.435 ( -6.277 -6.836 -3.242) 9.831 4.626 ( -12.967 -3.979 3.372) 13.977 5.100 ( -7.585 -2.736 0.862) 8.109 5.407 ( -7.762 -10.121 -0.278) 12.758 7.541 ( -6.020 -0.993 -2.862) 6.739 8.300 ( 2.212 -2.368 6.732) 7.471 8.858 ( -6.747 2.780 -0.434) 7.310 9.073 ( -5.106 0.155 -0.581) 5.142 9.328 ( -8.912 -3.830 2.885) 10.120 9.562 ( 3.509 2.861 -6.439) 7.871 9.801 ( -2.118 7.055 -2.266) 7.707 10.038 ( 6.428 -0.637 4.450) 7.844 10.535 ( 12.146 -4.265 0.696) 12.892 12.207 ( -8.898 3.643 -0.321) 9.620 13.658 ( -0.789 5.270 1.876) 5.649 14.094 ( 0.695 -10.598 -1.335) 10.704 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -0.000 21.431 8.517) 23.061 1.984 ( -0.000 19.685 13.510) 23.876 2.306 ( 0.000 5.326 -9.253) 10.676 2.654 ( 0.000 12.807 -23.898) 27.114 2.987 ( -0.000 6.144 3.732) 7.189 3.273 ( -0.000 27.242 13.288) 30.310 3.394 ( 0.000 3.696 -0.722) 3.766 3.401 ( -0.000 18.085 7.054) 19.412 3.759 ( 0.000 10.515 -6.028) 12.120 3.971 ( 0.000 7.419 -5.265) 9.097 4.498 ( 0.000 23.671 -11.821) 26.458 5.257 ( -0.000 -5.174 7.540) 9.144 7.172 ( -0.000 3.618 3.122) 4.779 8.539 ( 0.000 4.523 -0.444) 4.545 8.556 ( 0.000 -1.509 -6.050) 6.235 8.856 ( -0.000 4.464 0.422) 4.484 9.080 ( -0.000 4.261 15.355) 15.935 9.425 ( 0.000 -0.590 -7.724) 7.747 9.958 ( -0.000 -10.717 2.510) 11.007 10.902 ( -0.000 -23.774 9.605) 25.641 11.106 ( 0.000 -9.779 -11.443) 15.053 11.942 ( 0.000 1.698 -1.977) 2.606 13.469 ( -0.000 4.889 7.206) 8.708 13.994 ( -0.000 6.523 4.690) 8.034 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 8.792 18.314 7.110) 21.523 2.226 ( 4.408 18.204 7.710) 20.255 2.412 ( 7.768 5.837 -6.223) 11.538 2.720 ( 1.988 8.050 -21.444) 22.991 3.109 ( 6.004 7.400 1.750) 9.688 3.392 ( -1.688 6.506 5.057) 8.411 3.562 ( 7.655 7.504 4.172) 11.503 3.618 ( 1.650 12.072 0.159) 12.185 3.894 ( 1.603 16.427 -0.438) 16.511 4.083 ( 1.677 18.410 -2.850) 18.705 4.741 ( 4.425 21.258 -7.722) 23.046 5.212 ( -2.851 -2.141 6.821) 7.697 7.251 ( 2.581 6.081 4.579) 8.038 8.519 ( -1.141 -1.638 -5.860) 6.191 8.617 ( 3.679 4.986 -0.634) 6.229 8.912 ( 1.172 4.569 0.921) 4.806 9.150 ( -1.337 6.623 13.680) 15.257 9.416 ( 1.313 0.057 -6.813) 6.939 9.895 ( 3.987 -10.068 2.440) 11.100 10.635 ( -7.885 -19.253 6.367) 21.757 10.914 ( -7.739 -9.472 -8.519) 14.906 11.980 ( 2.624 2.675 -1.780) 4.149 13.590 ( 7.722 1.142 4.379) 8.950 14.025 ( -5.414 8.493 2.323) 10.336 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 6.084 14.359 4.979) 16.370 2.557 ( 13.306 15.143 0.890) 20.178 2.619 ( 7.820 9.794 -2.845) 12.851 2.799 ( 4.355 6.105 -14.612) 16.424 3.322 ( 7.521 10.080 1.379) 12.652 3.437 ( 0.064 3.094 5.165) 6.022 3.654 ( -0.098 -1.108 -3.012) 3.210 3.780 ( 7.873 7.996 3.108) 11.644 4.069 ( 1.590 14.554 -5.692) 15.708 4.387 ( 7.671 22.092 4.968) 23.908 4.997 ( 7.597 10.351 -3.093) 13.207 5.164 ( -4.932 5.584 3.373) 8.178 7.386 ( 4.385 6.908 4.617) 9.395 8.458 ( -2.268 -2.792 -3.917) 5.318 8.745 ( 5.121 5.663 -0.710) 7.668 8.985 ( 1.980 4.516 1.319) 5.104 9.233 ( -0.442 8.236 8.275) 11.683 9.445 ( 3.045 0.942 -3.598) 4.806 9.890 ( 3.900 -7.021 1.395) 8.152 10.334 ( -8.632 -13.237 3.986) 16.298 10.657 ( -9.614 -9.043 -5.847) 14.436 12.078 ( 4.585 5.432 -1.240) 7.215 13.720 ( 6.049 -1.784 1.256) 6.430 14.005 ( -5.299 6.187 1.977) 8.383 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 5.045 11.928 1.849) 13.082 2.788 ( 5.473 5.126 -4.568) 8.780 2.912 ( 6.439 12.323 -3.266) 14.283 2.959 ( 9.009 14.481 -2.929) 17.305 3.446 ( -2.341 3.913 5.885) 7.445 3.531 ( 4.965 1.478 0.134) 5.182 3.657 ( 2.104 5.564 -1.090) 6.047 3.991 ( 6.341 8.653 1.114) 10.786 4.225 ( 4.764 9.271 -4.708) 11.437 4.704 ( 6.960 11.994 4.801) 14.675 5.095 ( 0.896 2.234 0.770) 2.527 5.268 ( 5.222 9.998 -0.759) 11.305 7.544 ( 5.132 6.685 3.882) 9.279 8.375 ( -2.707 -3.992 -1.949) 5.202 8.884 ( 4.051 6.585 -0.436) 7.744 9.071 ( 2.763 4.160 0.457) 5.015 9.310 ( -0.217 5.547 2.827) 6.229 9.526 ( 4.733 2.433 0.728) 5.371 9.845 ( -3.639 -4.503 -0.900) 5.859 10.173 ( 0.224 -4.803 3.620) 6.018 10.398 ( -8.919 -9.214 -4.102) 13.464 12.232 ( 5.376 9.229 -0.657) 10.701 13.737 ( -2.823 -0.449 -0.291) 2.873 13.996 ( 1.633 -2.234 1.561) 3.177 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 2.054 9.499 -1.000) 9.770 2.901 ( 4.204 3.918 -1.186) 5.868 3.074 ( 1.471 11.601 -3.049) 12.085 3.227 ( 1.987 15.233 -1.899) 15.479 3.436 ( -2.232 0.277 5.347) 5.801 3.583 ( 4.178 0.792 -0.070) 4.253 3.810 ( 1.737 12.848 1.038) 13.006 4.153 ( 2.683 8.543 -0.169) 8.956 4.386 ( 6.195 5.847 -2.980) 9.025 4.831 ( -0.529 2.983 3.640) 4.735 5.204 ( 6.443 5.732 -0.631) 8.647 5.428 ( 7.837 -0.729 0.879) 7.919 7.698 ( 4.636 5.942 3.390) 8.263 8.286 ( -2.131 -4.789 -1.648) 5.494 8.998 ( 1.271 7.352 -0.213) 7.464 9.153 ( 2.489 3.154 -0.265) 4.027 9.349 ( -0.024 2.461 1.252) 2.761 9.634 ( 5.138 1.207 1.594) 5.513 9.721 ( -4.810 -3.261 -0.016) 5.811 10.146 ( -9.895 -1.432 -2.912) 10.413 10.238 ( 5.872 -3.673 1.373) 7.060 12.426 ( 4.077 13.480 -0.228) 14.085 13.642 ( -6.513 -1.201 0.464) 6.639 14.006 ( 5.521 -9.210 -0.143) 10.739 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -0.801 6.588 -2.077) 6.954 3.005 ( 2.307 5.025 2.337) 6.003 3.176 ( -1.580 10.575 -2.778) 11.048 3.297 ( -4.829 8.601 -3.970) 10.632 3.410 ( -1.299 -1.180 4.559) 4.885 3.706 ( 3.011 7.682 0.943) 8.305 3.931 ( -3.576 14.126 1.470) 14.645 4.249 ( -0.760 7.960 -0.391) 8.006 4.522 ( 4.852 3.875 -2.261) 6.608 4.823 ( -3.625 2.635 2.972) 5.377 5.355 ( 7.599 -0.759 -0.725) 7.671 5.516 ( 7.340 -8.189 1.594) 11.113 7.815 ( 1.763 4.279 3.743) 5.952 8.212 ( -0.139 -4.872 -2.746) 5.594 9.064 ( -1.763 7.185 -0.358) 7.407 9.210 ( 0.977 2.426 -0.043) 2.616 9.374 ( 0.589 1.672 0.860) 1.970 9.636 ( -1.945 -2.882 1.595) 3.825 9.725 ( 4.677 -0.515 1.269) 4.873 9.960 ( -6.248 -4.610 -3.732) 8.615 10.332 ( 2.380 4.518 0.733) 5.158 12.609 ( -0.919 17.135 -0.188) 17.161 13.525 ( -3.636 -4.180 1.680) 5.789 13.999 ( 6.669 -12.823 -1.549) 14.536 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( -1.957 4.749 -0.964) 5.227 3.069 ( -2.571 5.769 4.155) 7.561 3.199 ( -3.013 3.825 -4.982) 6.966 3.277 ( -6.806 10.991 -3.147) 13.306 3.406 ( 1.909 -1.830 3.032) 4.023 3.771 ( -5.198 7.006 1.392) 8.834 3.968 ( -7.796 13.046 1.184) 15.244 4.280 ( -4.493 7.562 -0.376) 8.804 4.613 ( 2.445 1.970 -2.284) 3.882 4.785 ( -4.181 2.750 3.287) 5.987 5.425 ( 4.890 -6.589 -0.924) 8.258 5.524 ( 4.542 -11.425 2.074) 12.468 7.836 ( -3.386 0.825 3.567) 4.987 8.190 ( 2.833 -3.026 -2.776) 4.988 9.082 ( -3.637 6.383 -0.490) 7.363 9.231 ( -0.957 1.773 0.169) 2.022 9.409 ( 1.063 2.595 0.061) 2.805 9.591 ( -1.565 -2.659 3.896) 4.970 9.766 ( 2.801 -6.534 -0.707) 7.144 9.874 ( 0.604 1.702 -3.364) 3.818 10.383 ( -1.788 4.179 0.395) 4.563 12.690 ( -9.443 15.920 -0.385) 18.514 13.481 ( 3.055 -3.292 2.579) 5.179 13.979 ( 7.177 -14.185 -2.294) 16.062 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -2.932 3.104 0.198) 4.274 3.014 ( -8.526 2.005 0.977) 8.813 3.186 ( -4.231 7.916 -2.144) 9.228 3.254 ( -5.694 6.497 -2.513) 8.997 3.450 ( 3.766 -0.445 1.188) 3.974 3.667 ( -12.396 2.468 1.896) 12.780 3.931 ( -10.132 9.589 1.119) 13.995 4.242 ( -7.744 6.123 -0.310) 9.877 4.588 ( -3.231 -3.850 -2.956) 5.830 4.785 ( -2.103 5.324 3.510) 6.714 5.375 ( -2.610 -7.515 -1.010) 8.019 5.473 ( 2.597 -11.389 2.372) 11.920 7.753 ( -6.049 -1.175 2.004) 6.480 8.219 ( 3.087 -1.552 -0.239) 3.463 9.064 ( -5.172 5.083 -0.387) 7.263 9.211 ( -2.814 0.760 -0.298) 2.930 9.463 ( 1.997 3.349 -1.706) 4.256 9.528 ( -3.681 -3.082 3.488) 5.934 9.746 ( 4.057 -6.792 0.459) 7.925 9.958 ( 3.793 6.516 -3.248) 8.209 10.357 ( -3.233 -0.359 0.851) 3.362 12.604 ( -13.870 8.748 -0.204) 16.400 13.567 ( 5.567 3.035 2.304) 6.747 13.957 ( 6.853 -13.557 -2.174) 15.345 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -11.018 0.226 0.944) 11.060 2.906 ( -4.443 2.045 -1.309) 5.063 3.146 ( -8.721 5.803 -1.617) 10.599 3.211 ( -8.160 7.341 -2.266) 11.208 3.443 ( -10.862 -5.440 3.879) 12.752 3.516 ( 3.265 0.505 -0.128) 3.306 3.814 ( -11.800 4.496 0.616) 12.643 4.137 ( -10.323 3.742 -0.079) 10.980 4.466 ( -5.046 -4.087 -2.918) 7.119 4.772 ( -5.705 1.516 2.750) 6.512 5.215 ( -8.399 -3.152 0.095) 8.972 5.398 ( -1.321 -7.485 1.269) 7.706 7.638 ( -6.505 -0.469 0.387) 6.533 8.255 ( 2.416 -1.251 3.340) 4.308 9.000 ( -6.785 2.565 -0.197) 7.256 9.155 ( -4.234 0.453 -0.751) 4.324 9.421 ( -5.345 -3.806 0.822) 6.613 9.533 ( 1.975 4.120 -2.547) 5.230 9.776 ( 5.433 -4.108 1.702) 7.021 10.073 ( -1.234 10.324 -2.483) 10.690 10.318 ( 5.368 -6.967 1.411) 8.908 12.427 ( -13.042 3.004 -0.064) 13.384 13.697 ( 3.109 5.663 0.940) 6.529 13.940 ( 5.168 -9.598 -0.704) 10.924 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -0.000 15.803 4.889) 16.542 2.369 ( 0.000 4.704 -2.940) 5.548 2.392 ( -0.000 17.336 5.918) 18.318 2.727 ( 0.000 6.465 -19.814) 20.842 3.102 ( 0.000 4.726 -1.066) 4.844 3.493 ( -0.000 6.298 0.675) 6.334 3.560 ( -0.000 5.134 4.981) 7.153 3.676 ( -0.000 3.714 1.462) 3.991 4.071 ( 0.000 18.771 -4.601) 19.327 4.286 ( -0.000 25.895 3.651) 26.151 4.881 ( 0.000 15.530 -4.137) 16.072 5.261 ( -0.000 5.207 4.470) 6.862 7.311 ( -0.000 7.733 6.656) 10.203 8.502 ( 0.000 -1.249 -6.999) 7.110 8.630 ( 0.000 4.885 -0.233) 4.891 8.948 ( -0.000 4.653 0.370) 4.668 9.262 ( -0.000 7.635 12.662) 14.785 9.399 ( 0.000 1.346 -5.192) 5.364 9.748 ( -0.000 -11.583 2.251) 11.800 10.535 ( -0.000 -16.698 3.743) 17.113 10.874 ( 0.000 -9.673 -7.226) 12.075 11.971 ( 0.000 2.044 -1.743) 2.686 13.556 ( -0.000 2.806 2.832) 3.986 14.154 ( -0.000 7.333 1.961) 7.591 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 10.044 10.300 0.400) 14.392 2.467 ( 4.309 8.507 1.299) 9.624 2.609 ( 6.839 12.595 -0.687) 14.348 2.771 ( 1.828 6.981 -10.648) 12.863 3.219 ( 8.713 4.378 -1.959) 9.946 3.530 ( -2.078 4.991 2.968) 6.167 3.628 ( 2.201 0.739 -2.556) 3.453 3.745 ( 4.001 4.833 6.033) 8.704 4.207 ( -1.337 14.572 -6.536) 16.026 4.563 ( 1.224 23.586 6.197) 24.417 4.999 ( 1.763 6.798 -0.817) 7.070 5.335 ( -2.989 13.673 0.582) 14.008 7.421 ( 1.860 8.377 6.489) 10.758 8.459 ( -1.743 -2.051 -5.728) 6.329 8.712 ( 3.962 4.808 -0.254) 6.235 9.004 ( 1.256 4.432 0.621) 4.648 9.345 ( -1.431 7.162 4.619) 8.642 9.426 ( 1.231 3.781 1.329) 4.193 9.703 ( 6.578 -10.047 1.724) 12.132 10.341 ( -5.893 -12.759 1.759) 14.164 10.707 ( -6.683 -8.550 -5.508) 12.170 12.033 ( 4.887 3.270 -1.362) 6.036 13.621 ( 3.747 1.102 1.024) 4.038 14.177 ( -5.319 5.995 1.867) 8.229 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 5.207 9.703 0.003) 11.011 2.689 ( 11.711 6.633 -1.022) 13.498 2.829 ( 9.674 4.314 -7.008) 12.700 2.925 ( 8.056 12.277 1.004) 14.719 3.431 ( 9.429 3.569 -0.414) 10.090 3.533 ( -1.687 1.730 1.556) 2.874 3.658 ( 1.474 3.775 1.022) 4.180 3.927 ( 9.341 5.676 2.227) 11.155 4.295 ( -1.361 11.407 -4.820) 12.458 4.769 ( 1.255 10.840 5.012) 12.008 5.091 ( 1.894 7.561 -0.861) 7.842 5.411 ( -4.582 13.771 -0.198) 14.515 7.558 ( 3.069 8.141 5.139) 10.104 8.380 ( -2.990 -3.477 -3.504) 5.771 8.845 ( 6.091 4.639 -0.254) 7.661 9.076 ( 1.935 4.211 0.654) 4.680 9.373 ( -0.963 3.287 -1.416) 3.706 9.516 ( 1.601 6.190 5.973) 8.750 9.757 ( 7.480 -5.868 -0.917) 9.551 10.133 ( -4.988 -8.983 1.876) 10.445 10.487 ( -9.012 -6.141 -3.952) 11.600 12.190 ( 8.301 6.299 -0.732) 10.446 13.679 ( 3.332 -2.273 -0.661) 4.087 14.107 ( -8.708 3.463 2.059) 9.594 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 6.148 6.439 -1.782) 9.080 2.858 ( 2.482 6.333 -0.534) 6.823 3.063 ( 10.999 6.769 -2.564) 13.167 3.201 ( 10.403 6.074 0.913) 12.081 3.510 ( -0.550 -0.472 0.603) 0.943 3.547 ( 1.067 5.534 1.832) 5.926 3.826 ( 8.738 8.651 0.119) 12.296 4.144 ( 7.671 6.538 0.374) 10.086 4.376 ( 1.304 7.819 -2.335) 8.264 4.854 ( 1.824 1.991 2.211) 3.490 5.203 ( 1.528 8.330 -0.714) 8.499 5.433 ( -4.838 6.678 0.668) 8.273 7.702 ( 3.699 7.495 3.824) 9.192 8.280 ( -3.282 -4.754 -2.276) 6.209 8.995 ( 6.018 4.629 -0.083) 7.593 9.148 ( 1.746 3.571 0.192) 3.979 9.382 ( -0.557 1.838 -0.864) 2.106 9.598 ( 1.294 2.876 3.916) 5.028 9.762 ( -2.326 -2.296 -1.969) 3.816 10.064 ( 4.591 -8.806 1.783) 10.090 10.302 ( -6.713 1.140 -2.375) 7.212 12.424 ( 9.680 10.165 -0.120) 14.037 13.677 ( 0.577 -4.740 -1.767) 5.092 13.970 ( -8.818 -1.305 2.139) 9.167 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 0.771 5.098 -0.862) 5.227 2.970 ( 4.881 5.130 -0.566) 7.104 3.258 ( 3.772 7.000 -1.630) 8.117 3.312 ( 1.589 -1.749 1.764) 2.949 3.483 ( -1.554 0.367 0.413) 1.649 3.724 ( 6.673 11.757 0.437) 13.526 4.049 ( 5.830 10.578 0.607) 12.093 4.278 ( 1.783 4.643 -0.706) 5.024 4.491 ( 4.467 5.584 -0.906) 7.208 4.913 ( 1.301 4.120 1.082) 4.454 5.279 ( 1.273 1.932 -0.353) 2.341 5.385 ( -2.339 -3.622 0.987) 4.423 7.838 ( 3.013 6.709 3.528) 8.157 8.172 ( -2.453 -5.836 -2.633) 6.856 9.127 ( 3.342 5.420 0.121) 6.369 9.201 ( 1.391 2.124 -0.279) 2.554 9.386 ( -0.387 1.022 0.077) 1.096 9.614 ( -0.727 -1.998 -1.065) 2.378 9.716 ( -0.767 1.391 3.768) 4.090 9.970 ( -3.288 -9.734 -2.403) 10.551 10.343 ( 3.365 7.283 -0.042) 8.023 12.702 ( 8.518 14.325 0.194) 16.668 13.594 ( -5.159 -3.857 -0.888) 6.502 13.816 ( -2.710 -9.518 0.760) 9.926 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( -2.098 5.258 -0.094) 5.662 3.084 ( 4.598 2.266 0.281) 5.134 3.275 ( -4.592 0.661 -2.020) 5.060 3.330 ( 2.578 -1.259 1.215) 3.116 3.488 ( -2.725 6.419 0.073) 6.974 3.895 ( 0.622 8.204 0.246) 8.231 4.198 ( -3.252 11.894 -0.323) 12.334 4.326 ( 2.364 0.635 1.188) 2.720 4.611 ( 2.849 5.840 -1.714) 6.720 4.952 ( -5.860 9.268 1.627) 11.085 5.282 ( 2.213 -6.741 0.196) 7.098 5.325 ( 4.715 -10.906 0.343) 11.886 7.918 ( -2.469 3.857 4.805) 6.638 8.100 ( 2.333 -4.465 -4.303) 6.625 9.193 ( -1.994 5.742 -0.350) 6.088 9.245 ( 1.556 1.221 0.176) 1.986 9.398 ( 1.198 0.560 -0.434) 1.392 9.574 ( 0.024 -3.393 1.384) 3.664 9.730 ( -1.951 -0.773 3.546) 4.120 9.846 ( 0.213 -3.633 -4.248) 5.593 10.451 ( 0.661 5.741 -0.015) 5.779 12.952 ( 0.245 17.560 -0.254) 17.563 13.454 ( -4.564 -3.364 1.949) 5.995 13.714 ( 4.979 -15.171 -1.719) 16.060 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( -3.295 2.800 1.207) 4.489 3.164 ( -6.305 -1.992 -3.617) 7.537 3.178 ( 3.182 2.990 1.511) 4.620 3.373 ( 3.104 -0.517 -0.309) 3.162 3.472 ( -6.577 5.606 0.791) 8.678 3.892 ( -8.018 3.532 0.381) 8.770 4.172 ( -8.409 5.946 -0.135) 10.300 4.361 ( -1.391 1.408 0.881) 2.166 4.633 ( -4.882 1.295 -2.382) 5.584 4.934 ( -6.293 8.961 1.943) 11.121 5.254 ( 5.538 -9.905 0.861) 11.381 5.329 ( 4.536 -6.688 0.188) 8.083 7.853 ( -6.057 -0.893 3.095) 6.860 8.144 ( 4.437 -0.116 -2.056) 4.892 9.189 ( -3.995 4.049 -0.330) 5.698 9.252 ( -1.486 0.233 -0.164) 1.513 9.432 ( 1.915 0.519 -2.495) 3.187 9.564 ( 1.229 -2.722 5.404) 6.174 9.654 ( -2.224 -2.995 -0.515) 3.766 9.899 ( 5.672 1.733 -2.267) 6.350 10.457 ( -4.814 2.380 -0.064) 5.371 12.938 ( -15.574 7.844 -0.142) 17.438 13.505 ( 7.310 5.964 2.275) 9.705 13.677 ( 8.659 -14.853 -2.170) 17.329 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( -3.789 0.793 2.076) 4.392 3.012 ( -8.046 -1.685 -3.009) 8.754 3.260 ( 2.339 2.213 0.982) 3.366 3.335 ( -8.181 0.216 -2.399) 8.528 3.453 ( 2.140 -0.499 1.322) 2.564 3.699 ( -15.845 -0.443 1.099) 15.889 4.035 ( -11.249 -0.553 0.167) 11.264 4.297 ( -6.142 -0.787 -0.402) 6.206 4.536 ( -5.793 1.559 -1.689) 6.233 4.873 ( -5.544 -1.813 1.179) 5.951 5.292 ( -0.566 1.148 -0.658) 1.439 5.331 ( 2.873 -1.111 2.485) 3.958 7.746 ( -6.120 -0.489 2.145) 6.503 8.208 ( 3.080 0.464 0.450) 3.147 9.124 ( -6.053 0.148 -0.010) 6.054 9.217 ( -2.673 0.326 -0.667) 2.774 9.430 ( -0.958 -2.021 -3.611) 4.248 9.574 ( -0.567 1.989 4.881) 5.302 9.650 ( 4.215 -1.537 -0.285) 4.496 10.039 ( 9.202 1.940 -1.840) 9.583 10.343 ( -8.843 -0.993 0.057) 8.899 12.694 ( -16.186 0.277 0.277) 16.191 13.641 ( 5.433 -5.358 -2.157) 7.930 13.774 ( 9.422 5.177 1.964) 10.928 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 0.000 4.022 -2.836) 4.921 2.538 ( -0.000 10.264 5.968) 11.873 2.632 ( 0.000 6.685 -12.122) 13.844 2.845 ( -0.000 11.993 2.309) 12.213 3.167 ( 0.000 3.207 -2.865) 4.300 3.578 ( 0.000 -0.933 -2.193) 2.384 3.626 ( -0.000 6.520 0.858) 6.576 3.758 ( -0.000 1.260 6.716) 6.833 4.341 ( 0.000 12.781 -5.757) 14.018 4.764 ( -0.000 13.811 6.475) 15.254 5.067 ( 0.000 11.308 -1.334) 11.386 5.509 ( -0.000 15.657 -0.569) 15.667 7.506 ( -0.000 8.897 6.261) 10.879 8.444 ( 0.000 -1.966 -5.253) 5.609 8.721 ( -0.000 4.357 -0.021) 4.357 9.035 ( -0.000 4.014 0.257) 4.023 9.409 ( 0.000 3.976 -3.984) 5.628 9.499 ( -0.000 8.836 9.784) 13.184 9.538 ( -0.000 -10.513 1.686) 10.647 10.281 ( 0.000 -10.292 -0.173) 10.293 10.670 ( 0.000 -8.735 -4.433) 9.796 12.005 ( 0.000 2.065 -1.331) 2.457 13.617 ( -0.000 2.807 0.412) 2.837 14.281 ( -0.000 4.735 1.844) 5.081 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 11.973 3.273 -1.184) 12.468 2.662 ( 2.992 6.349 -5.079) 8.663 2.721 ( 6.944 5.602 -1.555) 9.057 2.968 ( 0.326 10.389 2.973) 10.811 3.292 ( 10.288 4.648 -1.099) 11.343 3.555 ( -0.879 -0.751 -1.160) 1.638 3.691 ( -0.064 3.596 1.606) 3.939 3.826 ( 6.687 1.573 3.222) 7.588 4.428 ( -1.871 10.602 -4.060) 11.505 4.841 ( -0.533 2.197 4.064) 4.650 5.203 ( -0.608 16.182 -1.387) 16.253 5.621 ( -3.716 13.302 -0.317) 13.815 7.615 ( 1.273 8.465 4.805) 9.817 8.391 ( -2.494 -2.790 -3.446) 5.087 8.796 ( 3.978 3.694 0.011) 5.428 9.085 ( 1.468 3.500 0.310) 3.808 9.401 ( -1.211 0.031 -2.226) 2.534 9.546 ( 7.863 -5.223 1.116) 9.506 9.606 ( 0.198 9.147 6.236) 11.073 10.148 ( -4.898 -7.354 -0.654) 8.861 10.534 ( -4.930 -7.262 -3.309) 9.381 12.090 ( 7.553 2.967 -0.924) 8.168 13.645 ( 0.213 1.239 -0.486) 1.348 14.275 ( -5.764 3.279 1.927) 6.906 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 6.920 3.688 -2.144) 8.129 2.814 ( 15.191 3.533 -3.045) 15.891 2.911 ( 7.231 6.060 2.639) 9.797 3.091 ( 6.130 4.250 -0.097) 7.460 3.495 ( 2.191 1.152 -0.896) 2.632 3.565 ( 4.992 4.460 1.471) 6.854 3.740 ( 5.300 2.419 0.246) 5.831 4.018 ( 11.736 2.971 1.144) 12.160 4.472 ( -2.629 8.232 -2.377) 8.963 4.841 ( 0.055 -1.178 1.449) 1.868 5.321 ( -2.416 12.585 -0.919) 12.848 5.632 ( -7.637 8.485 0.217) 11.418 7.732 ( 2.388 7.369 3.044) 8.323 8.296 ( -4.024 -3.776 -1.816) 5.810 8.918 ( 6.442 2.747 0.059) 7.003 9.149 ( 2.146 2.952 0.282) 3.661 9.390 ( 0.332 -0.010 -1.771) 1.802 9.627 ( 3.246 -0.399 3.981) 5.152 9.714 ( 3.413 4.112 -0.985) 5.434 9.994 ( -4.848 -5.940 1.107) 7.747 10.385 ( -4.774 -2.990 -2.379) 6.115 12.303 ( 12.738 5.175 -0.334) 13.753 13.632 ( -1.169 -1.902 -1.428) 2.651 14.162 ( -10.644 1.415 2.057) 10.933 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 6.224 1.900 -1.761) 6.742 3.012 ( 2.069 6.827 0.528) 7.153 3.156 ( 13.462 3.347 -0.867) 13.899 3.230 ( 7.100 -1.875 2.993) 7.930 3.476 ( -0.615 -1.614 -1.569) 2.333 3.710 ( 5.785 7.569 0.371) 9.534 3.950 ( 12.774 3.875 -0.261) 13.352 4.243 ( 9.283 3.439 0.128) 9.900 4.505 ( -0.441 5.957 -0.650) 6.009 4.853 ( 3.733 -1.593 0.035) 4.059 5.353 ( -4.560 6.137 -0.425) 7.657 5.529 ( -11.096 2.829 0.307) 11.455 7.851 ( 3.527 5.845 1.291) 6.948 8.179 ( -4.714 -4.359 -0.702) 6.459 9.058 ( 7.208 1.848 0.187) 7.444 9.209 ( 1.574 2.387 0.124) 2.862 9.395 ( 0.156 0.458 -1.030) 1.138 9.651 ( -2.323 1.683 0.232) 2.878 9.754 ( -0.779 1.573 -0.349) 1.789 9.890 ( -0.405 -8.781 1.769) 8.967 10.352 ( 1.681 3.258 -1.021) 3.806 12.605 ( 15.176 7.564 0.217) 16.958 13.567 ( -1.900 -4.669 -2.204) 5.501 13.958 ( -14.092 -0.985 2.152) 14.289 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 5.883 1.232 -1.008) 6.095 3.078 ( -1.304 4.796 0.537) 4.999 3.256 ( 3.427 -3.688 1.274) 5.193 3.337 ( -0.348 1.490 -0.113) 1.534 3.495 ( 5.373 0.888 -0.721) 5.493 3.897 ( 6.532 4.785 -0.149) 8.099 4.188 ( 10.818 2.525 1.009) 11.154 4.346 ( -0.322 3.107 -1.679) 3.546 4.594 ( 4.567 4.559 0.758) 6.498 4.965 ( 10.286 0.205 -0.363) 10.294 5.283 ( -6.679 -0.791 0.090) 6.726 5.328 ( -12.547 -1.665 -0.142) 12.658 7.968 ( 4.769 3.324 -1.067) 5.910 8.054 ( -5.404 -3.417 1.052) 6.479 9.188 ( 6.078 0.952 0.324) 6.161 9.246 ( 0.394 2.054 -0.060) 2.092 9.396 ( -0.367 0.473 -0.082) 0.604 9.591 ( -4.399 0.076 -1.297) 4.587 9.777 ( 0.976 2.681 0.805) 2.965 9.788 ( -2.301 -7.214 0.457) 7.586 10.452 ( 4.407 3.310 -0.137) 5.513 12.947 ( 15.258 8.653 0.515) 17.548 13.485 ( -1.256 -4.657 -2.647) 5.502 13.687 ( -15.110 -3.924 2.195) 15.765 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( -4.103 1.312 2.381) 4.922 3.078 ( 4.781 -0.974 -2.401) 5.438 3.274 ( -1.192 -1.235 -0.433) 1.770 3.308 ( 0.738 1.131 0.537) 1.454 3.566 ( -0.019 0.110 -0.057) 0.125 3.976 ( -0.079 -0.065 -0.007) 0.102 4.313 ( 0.034 -0.235 -0.022) 0.239 4.334 ( -0.340 -0.165 -0.002) 0.378 4.710 ( 1.833 1.982 0.076) 2.700 5.118 ( -6.520 -9.022 -0.276) 11.134 5.148 ( -3.330 0.728 0.361) 3.428 5.162 ( 7.535 5.749 -0.146) 9.479 7.929 ( -4.032 -4.578 -0.014) 6.101 8.079 ( 3.519 4.082 0.021) 5.389 9.249 ( 0.301 0.423 -0.071) 0.524 9.265 ( -0.241 -0.521 0.065) 0.578 9.412 ( 1.739 1.959 0.010) 2.619 9.522 ( -2.033 -2.192 -0.010) 2.989 9.696 ( -2.296 -2.522 0.005) 3.411 9.835 ( 2.519 2.766 -0.001) 3.741 10.514 ( 0.143 0.165 0.000) 0.219 13.202 ( 0.014 0.007 -0.000) 0.016 13.411 ( -1.955 -2.243 0.002) 2.975 13.497 ( 1.946 2.232 -0.002) 2.961 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -3.581 -0.870 2.798) 4.627 3.067 ( -2.536 -4.312 -4.112) 6.475 3.272 ( -0.091 4.337 2.332) 4.925 3.348 ( 2.280 -1.532 -1.762) 3.263 3.483 ( -5.616 -5.103 0.738) 7.624 3.888 ( -8.044 -4.091 0.147) 9.026 4.183 ( -10.159 -6.948 0.821) 12.336 4.328 ( -0.165 -1.618 -1.155) 1.995 4.661 ( -5.603 1.548 -1.072) 5.911 4.903 ( -5.655 -11.861 0.781) 13.164 5.262 ( 6.562 9.599 1.175) 11.687 5.322 ( 3.787 5.729 -0.226) 6.871 7.828 ( -4.107 -2.225 1.414) 4.880 8.168 ( 3.099 2.718 -0.487) 4.150 9.196 ( -4.280 -3.744 0.128) 5.688 9.246 ( -0.927 -0.283 -0.419) 1.056 9.441 ( -2.356 1.081 -3.251) 4.158 9.514 ( 4.599 -2.093 3.237) 6.001 9.675 ( -0.973 3.652 0.990) 3.907 9.916 ( 5.181 0.693 -1.021) 5.325 10.455 ( -5.262 -2.524 -0.186) 5.839 12.948 ( -15.850 -7.409 0.491) 17.503 13.445 ( 6.988 -5.644 -1.379) 9.088 13.727 ( 9.316 14.166 0.911) 16.979 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 0.000 1.943 -0.993) 2.182 2.663 ( 0.000 2.932 -7.552) 8.101 2.720 ( -0.000 5.933 2.584) 6.472 3.100 ( -0.000 10.643 3.570) 11.226 3.213 ( 0.000 2.576 -1.173) 2.831 3.553 ( 0.000 -0.736 -0.998) 1.240 3.738 ( -0.000 4.439 0.170) 4.443 3.760 ( -0.000 -2.754 2.661) 3.830 4.531 ( 0.000 8.560 -2.683) 8.970 4.854 ( -0.000 -1.243 2.065) 2.410 5.370 ( 0.000 15.646 -1.271) 15.697 5.772 ( -0.000 10.520 -0.217) 10.522 7.692 ( -0.000 7.530 3.487) 8.298 8.383 ( 0.000 -2.491 -2.540) 3.558 8.794 ( -0.000 2.988 0.131) 2.991 9.102 ( -0.000 2.729 0.093) 2.730 9.365 ( -0.000 -7.564 0.986) 7.628 9.468 ( 0.000 3.412 -1.759) 3.839 9.710 ( -0.000 8.276 5.631) 10.011 10.131 ( 0.000 -4.496 -1.790) 4.840 10.496 ( 0.000 -7.544 -2.345) 7.900 12.037 ( 0.000 1.663 -0.847) 1.866 13.666 ( 0.000 2.185 -0.756) 2.313 14.357 ( -0.000 2.316 1.931) 3.016 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 13.547 1.603 0.044) 13.641 2.703 ( 2.779 2.769 -3.183) 5.052 2.834 ( 7.166 3.496 0.808) 8.014 3.116 ( -3.029 4.196 0.374) 5.188 3.399 ( 12.099 5.453 0.686) 13.289 3.538 ( -0.348 -0.704 -0.193) 0.809 3.716 ( -0.597 -1.213 -0.173) 1.364 3.859 ( 8.539 1.293 0.538) 8.653 4.582 ( -1.954 6.353 -1.400) 6.793 4.835 ( -0.578 -1.890 0.491) 2.037 5.482 ( -2.264 11.090 -0.892) 11.354 5.815 ( -4.718 6.344 -0.242) 7.910 7.772 ( 1.087 5.476 1.721) 5.842 8.327 ( -3.164 -2.393 -1.205) 4.146 8.852 ( 3.766 1.960 0.185) 4.250 9.139 ( 1.612 1.925 0.029) 2.511 9.340 ( 3.423 -3.904 -0.314) 5.202 9.526 ( 3.930 1.333 0.233) 4.157 9.779 ( -1.058 5.332 2.851) 6.138 10.052 ( -5.240 -1.928 -1.044) 5.681 10.400 ( -2.382 -5.109 -1.613) 5.864 12.135 ( 9.592 1.886 -0.483) 9.787 13.662 ( -2.302 0.846 -1.280) 2.767 14.326 ( -6.158 1.189 1.983) 6.578 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 5.598 1.431 -1.778) 6.046 2.856 ( 18.370 2.166 1.614) 18.568 3.011 ( 9.398 1.793 1.488) 9.682 3.125 ( 1.521 0.732 -0.307) 1.716 3.485 ( -1.794 -0.402 -1.559) 2.410 3.685 ( 6.692 5.110 1.119) 8.494 3.735 ( 10.484 -2.361 -1.960) 10.924 4.058 ( 13.115 0.795 0.648) 13.155 4.589 ( -2.739 4.233 -0.257) 5.048 4.809 ( -0.064 -1.798 -0.593) 1.894 5.500 ( -5.055 5.476 -0.282) 7.458 5.734 ( -9.396 1.986 -0.612) 9.623 7.840 ( 2.356 2.239 -0.646) 3.314 8.236 ( -4.928 -1.431 0.592) 5.166 8.953 ( 6.326 0.875 0.281) 6.393 9.189 ( 2.399 1.020 -0.029) 2.607 9.376 ( 2.691 -0.326 -0.997) 2.888 9.616 ( 5.496 -0.523 -0.174) 5.524 9.793 ( -1.441 2.150 1.191) 2.849 9.916 ( -8.029 -2.296 0.680) 8.378 10.347 ( 0.154 -0.306 -0.975) 1.033 12.376 ( 15.948 2.120 -0.027) 16.088 13.600 ( -4.519 -0.587 -1.807) 4.902 14.184 ( -11.660 0.026 2.003) 11.831 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 5.599 0.776 -0.496) 5.674 3.114 ( 5.256 3.475 -1.851) 6.567 3.143 ( 5.043 -4.065 2.017) 6.785 3.232 ( 12.644 0.512 3.659) 13.172 3.447 ( -1.322 -0.137 -2.746) 3.051 3.786 ( 7.676 -0.526 -0.834) 7.739 3.981 ( 14.477 -0.204 -0.609) 14.492 4.277 ( 10.235 -0.077 0.070) 10.235 4.589 ( -0.350 1.805 1.422) 2.324 4.817 ( 4.267 -1.189 -1.587) 4.705 5.419 ( -7.740 0.500 0.120) 7.757 5.545 ( -12.815 -0.987 -1.113) 12.902 7.885 ( 3.320 -2.622 -3.544) 5.519 8.151 ( -5.033 1.669 2.782) 5.988 9.076 ( 7.320 0.027 0.410) 7.331 9.233 ( 2.008 -0.038 -0.040) 2.009 9.407 ( 0.510 1.120 0.304) 1.268 9.654 ( 0.236 -1.403 -5.529) 5.709 9.756 ( -6.987 -2.740 0.885) 7.557 9.821 ( 0.975 2.898 4.427) 5.380 10.388 ( 4.113 0.386 -0.320) 4.144 12.685 ( 18.347 -0.164 0.279) 18.350 13.513 ( -4.244 0.844 -2.090) 4.806 13.950 ( -15.804 -0.750 1.917) 15.937 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 4.640 -1.230 -1.541) 5.042 3.133 ( -1.381 -3.917 4.785) 6.336 3.196 ( 3.542 1.757 -2.802) 4.846 3.367 ( -0.768 1.394 1.276) 2.040 3.480 ( 6.912 -2.196 -1.468) 7.400 3.894 ( 6.838 -5.109 -0.358) 8.544 4.171 ( 9.331 -3.879 -0.082) 10.105 4.365 ( 1.479 -1.142 -0.455) 1.923 4.617 ( 4.135 -3.559 2.316) 5.927 4.946 ( 10.421 -1.082 -1.639) 10.605 5.261 ( -10.614 0.015 -1.264) 10.689 5.330 ( -8.926 0.783 -0.062) 8.961 7.876 ( 1.795 -6.194 -3.906) 7.540 8.128 ( -2.066 4.689 2.702) 5.793 9.187 ( 5.658 -1.290 0.266) 5.809 9.251 ( 0.856 -1.443 0.264) 1.698 9.418 ( -0.498 1.120 1.899) 2.260 9.595 ( -5.423 1.108 -3.896) 6.769 9.654 ( 0.477 -4.391 -1.104) 4.553 9.882 ( -0.775 6.016 2.944) 6.743 10.456 ( 4.377 -2.992 0.115) 5.303 12.937 ( 14.765 -9.288 -0.066) 17.443 13.517 ( 1.281 8.453 -1.350) 8.655 13.665 ( -17.128 0.673 1.443) 17.202 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -0.000 0.853 0.375) 0.931 2.707 ( -0.000 3.334 0.557) 3.380 2.787 ( 0.000 0.860 -1.840) 2.032 3.248 ( 0.000 3.067 -1.237) 3.307 3.258 ( -0.000 1.703 2.056) 2.670 3.537 ( 0.000 -0.780 -0.087) 0.785 3.706 ( 0.000 -2.215 -0.627) 2.302 3.795 ( 0.000 1.414 -0.613) 1.541 4.648 ( 0.000 4.000 -0.304) 4.012 4.822 ( 0.000 -1.817 -0.478) 1.879 5.589 ( 0.000 6.625 -0.362) 6.635 5.900 ( 0.000 2.732 -0.923) 2.883 7.804 ( -0.000 2.291 0.372) 2.321 8.337 ( 0.000 -0.933 -0.770) 1.209 8.835 ( -0.000 1.067 0.234) 1.092 9.139 ( 0.000 0.947 -0.188) 0.965 9.262 ( -0.000 -3.112 0.394) 3.137 9.521 ( -0.000 2.111 1.058) 2.361 9.825 ( -0.000 1.220 0.574) 1.348 10.099 ( 0.000 1.364 -0.758) 1.560 10.368 ( 0.000 -3.910 -0.786) 3.988 12.060 ( 0.000 0.884 -0.367) 0.957 13.692 ( 0.000 0.822 -1.498) 1.709 14.391 ( -0.000 0.413 2.002) 2.044 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 13.137 0.061 0.367) 13.143 2.768 ( 2.625 3.737 3.527) 5.770 2.848 ( 7.803 -1.468 -2.566) 8.344 3.154 ( -3.581 -0.438 -0.176) 3.612 3.458 ( 13.644 -0.793 -0.552) 13.678 3.517 ( -1.474 -0.426 -0.567) 1.636 3.690 ( 0.210 -0.242 -1.133) 1.177 3.872 ( 8.352 -0.223 -0.279) 8.359 4.659 ( -1.813 1.573 0.833) 2.541 4.799 ( -0.553 -1.327 -1.560) 2.121 5.602 ( -2.869 1.002 0.421) 3.068 5.862 ( -5.093 -0.891 -1.763) 5.463 7.814 ( 0.892 -1.556 -1.169) 2.141 8.305 ( -3.269 0.680 0.150) 3.342 8.873 ( 3.646 0.048 0.304) 3.659 9.157 ( 1.695 -0.135 -0.218) 1.715 9.293 ( 5.024 -0.253 -0.553) 5.060 9.557 ( 1.925 0.944 2.246) 3.106 9.811 ( -0.525 -2.084 -0.993) 2.368 10.049 ( -6.834 0.464 0.051) 6.850 10.347 ( -0.382 0.919 -0.379) 1.065 12.156 ( 10.278 0.348 -0.075) 10.285 13.665 ( -3.126 0.056 -1.824) 3.620 14.341 ( -6.345 -0.449 2.013) 6.672 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 9.844 -0.557 -0.605) 9.879 2.916 ( 12.082 2.533 3.219) 12.757 2.975 ( 9.622 -4.924 -0.469) 10.819 3.138 ( 2.915 -0.463 0.894) 3.083 3.483 ( -2.379 0.965 -1.199) 2.833 3.636 ( 8.450 -5.766 -2.592) 10.553 3.746 ( 9.394 0.232 -0.777) 9.429 4.057 ( 13.235 -1.184 0.582) 13.300 4.627 ( -2.518 -1.128 2.279) 3.578 4.776 ( 0.016 -0.574 -2.927) 2.983 5.516 ( -5.301 -4.322 0.880) 6.896 5.711 ( -9.444 -3.319 -2.355) 10.284 7.799 ( 1.671 -4.974 -2.546) 5.832 8.254 ( -4.284 2.249 0.896) 4.920 8.956 ( 6.331 -0.774 0.413) 6.391 9.187 ( 2.457 -1.172 -0.084) 2.724 9.385 ( 3.990 1.783 -0.517) 4.401 9.594 ( 1.483 -2.017 -0.974) 2.686 9.803 ( 2.801 -1.318 1.933) 3.649 9.912 ( -9.078 1.424 0.138) 9.190 10.358 ( -0.195 1.687 -0.351) 1.734 12.380 ( 15.719 -1.798 0.180) 15.822 13.597 ( -4.143 1.166 -2.010) 4.750 14.182 ( -11.822 -1.086 1.925) 12.027 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 4.517 -0.740 -0.333) 4.589 3.017 ( 5.149 -7.427 -0.144) 9.039 3.175 ( 9.710 1.171 1.392) 9.878 3.236 ( 8.471 -1.557 2.704) 9.028 3.459 ( -1.897 2.405 -1.539) 3.428 3.680 ( 7.691 -9.161 -1.921) 12.115 3.938 ( 13.034 -4.017 -0.977) 13.674 4.241 ( 9.676 -3.622 0.097) 10.332 4.567 ( -1.622 -4.714 3.307) 5.982 4.807 ( 5.062 0.679 -3.189) 6.022 5.369 ( -5.195 -5.859 0.795) 7.871 5.489 ( -11.204 -3.546 -2.455) 12.005 7.769 ( 2.286 -6.427 -2.882) 7.405 8.217 ( -3.263 3.028 0.517) 4.481 9.061 ( 7.040 -1.870 0.393) 7.294 9.209 ( 1.962 -2.232 0.272) 2.984 9.446 ( 0.246 2.067 2.976) 3.632 9.558 ( 1.019 -4.614 -5.306) 7.105 9.748 ( -8.012 0.801 -0.198) 8.054 9.936 ( 3.932 6.585 3.398) 8.389 10.361 ( 1.096 -2.723 -0.478) 2.974 12.603 ( 14.575 -7.564 0.115) 16.422 13.580 ( -0.357 6.034 -1.632) 6.261 13.945 ( -15.011 -0.572 1.542) 15.101 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -0.000 0.036 1.395) 1.396 2.745 ( 0.000 -3.668 -4.522) 5.823 2.798 ( -0.000 4.328 5.650) 7.117 3.185 ( 0.000 -7.648 -4.847) 9.055 3.290 ( -0.000 -0.019 3.872) 3.872 3.538 ( -0.000 1.338 0.035) 1.339 3.685 ( 0.000 0.047 -1.959) 1.960 3.787 ( 0.000 -1.816 -1.210) 2.182 4.680 ( -0.000 -1.131 1.816) 2.139 4.790 ( 0.000 -0.768 -2.571) 2.683 5.609 ( -0.000 -5.148 1.031) 5.250 5.877 ( 0.000 -3.776 -2.616) 4.593 7.774 ( 0.000 -4.770 -1.132) 4.902 8.347 ( 0.000 1.885 -0.792) 2.045 8.837 ( -0.000 -0.946 0.341) 1.006 9.133 ( 0.000 -1.317 -0.439) 1.388 9.254 ( 0.000 2.160 -0.126) 2.164 9.559 ( -0.000 0.678 4.051) 4.108 9.770 ( 0.000 -5.936 -2.723) 6.531 10.111 ( 0.000 -0.443 -0.163) 0.472 10.384 ( -0.000 5.556 -0.051) 5.556 12.067 ( -0.000 -0.057 0.067) 0.087 13.683 ( 0.000 -0.873 -2.025) 2.205 14.391 ( -0.000 -1.271 2.047) 2.410 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 11.796 -0.718 1.347) 11.895 2.760 ( 7.894 -6.024 -3.877) 10.660 2.869 ( 1.986 4.128 5.884) 7.457 3.072 ( 0.326 -7.890 -2.571) 8.305 3.394 ( 10.023 -3.576 1.164) 10.705 3.540 ( -1.640 1.849 -0.151) 2.476 3.674 ( 0.280 -1.353 -2.583) 2.929 3.847 ( 9.225 -2.223 -0.403) 9.498 4.647 ( -1.734 -3.523 2.760) 4.800 4.770 ( -0.554 -0.750 -3.560) 3.680 5.509 ( -2.451 -10.928 0.884) 11.235 5.781 ( -4.817 -6.040 -2.569) 8.142 7.719 ( 0.636 -6.836 -0.947) 6.930 8.338 ( -2.920 2.255 -1.615) 4.027 8.857 ( 3.771 -1.797 0.444) 4.201 9.132 ( 1.869 -2.174 -0.289) 2.882 9.329 ( 4.534 4.038 -0.965) 6.148 9.573 ( -0.069 -1.185 3.577) 3.769 9.712 ( 2.846 -6.661 -0.495) 7.260 10.056 ( -5.919 1.037 -1.089) 6.107 10.427 ( -2.567 6.587 -0.136) 7.070 12.148 ( 9.349 -1.217 0.253) 9.431 13.648 ( -1.997 -0.810 -2.172) 3.060 14.325 ( -6.274 -2.101 2.000) 6.913 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 10.149 -3.195 -0.429) 10.649 2.836 ( 9.119 -7.794 -0.375) 12.002 2.980 ( 7.280 2.063 3.492) 8.334 3.079 ( 9.446 -6.543 0.081) 11.491 3.503 ( 4.178 -2.486 0.963) 4.956 3.517 ( -1.008 -1.573 -2.896) 3.447 3.698 ( 7.821 -3.788 -1.794) 8.873 4.011 ( 12.179 -4.015 0.556) 12.835 4.566 ( -2.975 -5.984 3.454) 7.523 4.752 ( 1.043 -1.111 -4.087) 4.362 5.341 ( -2.650 -13.006 0.290) 13.277 5.597 ( -8.085 -7.341 -1.881) 11.082 7.666 ( 1.619 -7.142 -0.584) 7.347 8.296 ( -3.561 1.935 -2.689) 4.864 8.925 ( 6.354 -2.612 0.466) 6.886 9.145 ( 2.482 -3.074 0.152) 3.954 9.439 ( 3.833 3.179 -1.539) 5.212 9.516 ( -2.318 -5.328 1.186) 5.930 9.785 ( 7.110 -1.082 3.240) 7.888 9.962 ( -5.181 3.773 -1.413) 6.563 10.413 ( -5.550 4.449 -0.626) 7.140 12.314 ( 12.160 -4.828 0.279) 13.086 13.623 ( -0.116 2.258 -2.049) 3.051 14.156 ( -11.137 -2.507 1.769) 11.552 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -0.000 -0.421 2.541) 2.575 2.609 ( 0.000 -7.942 -5.198) 9.492 2.908 ( -0.000 2.081 6.828) 7.138 2.952 ( 0.000 -11.479 -5.296) 12.642 3.285 ( -0.000 -2.294 3.492) 4.178 3.575 ( -0.000 1.531 0.151) 1.538 3.673 ( 0.000 -0.143 -2.368) 2.373 3.717 ( 0.000 -4.661 -1.363) 4.856 4.626 ( -0.000 -5.259 2.850) 5.981 4.755 ( 0.000 -2.157 -3.472) 4.087 5.395 ( 0.000 -16.167 0.145) 16.168 5.744 ( 0.000 -8.951 -1.770) 9.125 7.641 ( -0.000 -7.871 0.745) 7.906 8.380 ( 0.000 1.996 -4.012) 4.481 8.803 ( -0.000 -2.766 0.567) 2.824 9.089 ( 0.000 -2.896 -0.539) 2.945 9.337 ( 0.000 6.455 -0.683) 6.491 9.557 ( 0.000 -7.490 0.131) 7.491 9.616 ( -0.000 -3.858 4.853) 6.200 10.116 ( 0.000 2.160 -3.048) 3.736 10.535 ( -0.000 9.176 -0.071) 9.176 12.059 ( -0.000 -0.876 0.416) 0.970 13.641 ( 0.000 -2.425 -2.287) 3.333 14.357 ( -0.000 -3.242 1.976) 3.796 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 10.399 -1.074 2.767) 10.814 2.582 ( 7.580 -10.556 -3.722) 13.518 2.836 ( 5.637 -14.255 -2.920) 15.604 2.968 ( 0.528 3.369 4.257) 5.454 3.339 ( 8.254 -3.574 2.289) 9.281 3.535 ( -3.209 -3.349 -3.421) 5.763 3.647 ( -0.792 0.890 0.366) 1.246 3.781 ( 9.628 -4.492 -0.282) 10.628 4.554 ( -2.073 -7.283 3.082) 8.176 4.708 ( -0.113 -5.914 -3.439) 6.842 5.221 ( -0.722 -16.192 -0.571) 16.218 5.605 ( -3.975 -11.426 -0.663) 12.116 7.575 ( 0.875 -7.460 2.259) 7.843 8.359 ( -2.825 1.340 -5.939) 6.712 8.808 ( 3.921 -3.463 0.649) 5.272 9.073 ( 1.843 -3.681 -0.258) 4.125 9.404 ( 0.327 -1.773 -3.709) 4.124 9.488 ( 2.805 -2.035 2.296) 4.157 9.657 ( 5.061 -0.406 7.427) 8.996 10.092 ( -4.989 4.043 -4.794) 8.013 10.581 ( -5.311 9.151 -0.334) 10.586 12.114 ( 7.063 -2.364 0.471) 7.463 13.615 ( 0.795 -1.565 -2.226) 2.835 14.273 ( -5.953 -4.321 1.782) 7.569 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 0.000 -12.368 -3.217) 12.779 2.473 ( -0.000 -0.434 2.646) 2.681 2.619 ( 0.000 -17.968 -3.212) 18.253 3.010 ( -0.000 2.963 3.972) 4.955 3.222 ( -0.000 -5.443 0.934) 5.523 3.550 ( 0.000 -3.924 -2.459) 4.631 3.604 ( 0.000 -6.007 -0.596) 6.036 3.684 ( -0.000 1.368 1.073) 1.738 4.499 ( -0.000 -9.044 1.912) 9.244 4.598 ( 0.000 -16.768 -1.805) 16.865 5.084 ( 0.000 -10.706 -0.981) 10.751 5.509 ( 0.000 -14.678 0.545) 14.688 7.505 ( -0.000 -6.637 5.116) 8.380 8.381 ( 0.000 0.948 -8.434) 8.487 8.737 ( -0.000 -4.150 0.872) 4.241 9.018 ( 0.000 -4.080 -0.645) 4.131 9.315 ( 0.000 -13.174 -2.200) 13.357 9.492 ( 0.000 9.605 -1.010) 9.658 9.645 ( -0.000 0.214 11.299) 11.301 10.170 ( 0.000 5.751 -7.456) 9.416 10.732 ( -0.000 11.122 -0.352) 11.128 12.039 ( -0.000 -1.389 0.636) 1.527 13.572 ( 0.000 -3.672 -2.100) 4.230 14.276 ( -0.000 -6.010 1.510) 6.197 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -0.000 0.000 25.301) 25.301 0.511 ( -0.000 0.000 25.301) 25.301 1.239 ( -0.000 0.000 62.644) 62.644 2.073 ( 0.000 -0.000 -12.704) 12.704 2.073 ( 0.000 -0.000 -12.704) 12.704 2.761 ( -0.000 0.000 7.149) 7.149 2.761 ( -0.000 0.000 7.149) 7.149 3.329 ( 0.000 -0.000 -1.214) 1.214 3.329 ( 0.000 -0.000 -1.214) 1.214 3.704 ( 0.000 -0.000 -30.014) 30.014 4.243 ( 0.000 -0.000 -8.245) 8.245 5.514 ( -0.000 0.000 5.222) 5.222 8.400 ( 0.000 -0.000 -0.235) 0.235 8.400 ( 0.000 -0.000 -0.235) 0.235 8.699 ( -0.000 0.000 0.111) 0.111 8.699 ( -0.000 0.000 0.111) 0.111 9.092 ( 0.000 -0.000 -0.921) 0.921 9.477 ( -0.000 0.000 7.585) 7.585 10.288 ( -0.000 0.000 1.628) 1.628 10.288 ( -0.000 0.000 1.628) 1.628 11.911 ( 0.000 -0.000 -1.394) 1.394 11.911 ( 0.000 -0.000 -1.394) 1.394 12.659 ( -0.000 0.000 0.250) 0.250 15.750 ( -0.000 0.000 2.088) 2.088 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 18.582 10.729 16.676) 27.175 1.036 ( 25.983 15.001 17.947) 34.961 1.546 ( 18.326 10.580 37.984) 43.481 2.141 ( 7.337 4.236 -13.425) 15.875 2.222 ( 14.958 8.636 -7.551) 18.850 2.760 ( -0.726 -0.419 7.790) 7.835 2.928 ( 10.713 6.185 5.765) 13.647 3.339 ( 0.980 0.566 -1.187) 1.640 3.415 ( 7.499 4.330 -3.693) 9.413 3.680 ( 5.276 3.046 -23.995) 24.756 4.200 ( -1.606 -0.927 -11.364) 11.515 5.468 ( -4.628 -2.672 7.233) 8.993 7.564 ( -31.370 -18.111 20.265) 41.506 8.426 ( 1.995 1.152 -0.200) 2.313 8.628 ( -0.068 -0.039 -5.762) 5.762 8.713 ( 1.401 0.809 0.112) 1.622 9.069 ( -5.161 -2.979 5.144) 7.872 9.461 ( 1.947 1.124 0.671) 2.346 10.239 ( -4.180 -2.413 1.754) 5.135 11.060 ( 17.175 9.916 -19.879) 28.080 11.873 ( -3.517 -2.031 -6.208) 7.418 11.921 ( 0.794 0.458 -1.477) 1.738 12.880 ( 20.246 11.689 1.942) 23.459 14.570 ( -59.046 -34.090 53.288) 86.534 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 19.994 11.544 10.381) 25.314 1.531 ( 16.394 9.465 19.774) 27.375 2.150 ( 26.085 15.060 -4.408) 30.442 2.318 ( 10.268 5.928 -14.325) 18.596 2.659 ( 24.177 13.958 6.096) 28.575 2.768 ( 0.135 0.078 9.250) 9.251 3.202 ( 11.537 6.661 6.318) 14.744 3.371 ( 2.114 1.221 -1.023) 2.647 3.624 ( 12.674 7.317 -9.277) 17.327 3.832 ( 7.096 4.097 -5.510) 9.874 4.186 ( 6.738 3.890 -17.415) 19.074 5.356 ( -6.410 -3.701 7.031) 10.209 7.242 ( -4.258 -2.459 4.746) 6.834 8.486 ( 3.300 1.905 -0.378) 3.829 8.617 ( -0.066 -0.038 -8.190) 8.190 8.762 ( 2.814 1.625 0.284) 3.262 8.966 ( -4.875 -2.815 15.304) 16.307 9.509 ( 2.522 1.456 -4.963) 5.755 10.114 ( -7.128 -4.115 2.225) 8.526 11.022 ( -10.376 -5.990 -2.769) 12.297 11.594 ( -18.471 -10.664 -6.315) 22.244 11.938 ( 1.011 0.584 -1.803) 2.147 13.399 ( 20.138 11.627 -0.439) 23.258 13.834 ( -16.996 -9.813 30.842) 36.557 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 16.838 9.721 6.637) 20.544 1.918 ( 15.216 8.785 10.699) 20.571 2.500 ( 7.545 4.356 -11.995) 14.825 2.564 ( 14.011 8.089 -16.441) 23.066 2.825 ( 3.751 2.166 7.985) 9.084 3.299 ( 27.900 16.108 6.477) 32.861 3.432 ( 3.522 2.034 -0.539) 4.103 3.457 ( 9.831 5.676 7.261) 13.476 3.848 ( -1.847 -1.067 -3.369) 3.988 3.953 ( 17.686 10.211 -6.422) 21.408 4.509 ( 20.880 12.055 -10.083) 26.133 5.225 ( -5.948 -3.434 5.685) 8.916 7.270 ( 4.785 2.763 0.221) 5.530 8.568 ( 3.986 2.301 -0.657) 4.649 8.573 ( -2.479 -1.431 -6.329) 6.947 8.838 ( 3.824 2.208 0.538) 4.448 8.950 ( 0.758 0.437 16.091) 16.115 9.556 ( 2.835 1.637 -5.781) 6.644 9.936 ( -8.924 -5.153 2.634) 10.636 10.726 ( -14.963 -8.639 6.017) 18.295 11.163 ( -16.318 -9.421 -7.435) 20.256 11.958 ( 1.121 0.647 -2.045) 2.420 13.554 ( -1.601 -0.924 5.736) 6.027 13.918 ( 12.696 7.330 6.211) 15.921 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 12.096 6.984 3.433) 14.383 2.257 ( 13.434 7.756 2.496) 15.712 2.596 ( 3.017 1.742 -3.467) 4.915 2.780 ( 8.830 5.098 -11.249) 15.182 2.969 ( 7.470 4.313 1.034) 8.688 3.524 ( 4.563 2.634 0.226) 5.273 3.629 ( 3.301 1.906 -2.924) 4.804 3.697 ( 3.657 2.111 7.087) 8.249 3.975 ( 16.492 9.522 -2.233) 19.174 4.381 ( 20.573 11.878 0.366) 23.759 4.912 ( 11.133 6.428 -0.458) 12.863 5.183 ( 5.852 3.378 0.088) 6.758 7.414 ( 7.358 4.248 -0.215) 8.499 8.491 ( -3.735 -2.156 -1.073) 4.444 8.658 ( 3.995 2.306 -0.816) 4.685 8.931 ( 4.169 2.407 0.696) 4.865 9.063 ( 6.353 3.668 9.837) 12.271 9.616 ( 3.564 2.058 -4.773) 6.303 9.733 ( -9.434 -5.447 2.569) 11.193 10.420 ( -12.741 -7.356 6.267) 15.991 10.849 ( -10.662 -6.156 -6.103) 13.742 11.980 ( 1.251 0.722 -1.912) 2.396 13.553 ( 0.665 0.384 2.885) 2.985 14.174 ( 8.925 5.153 1.757) 10.454 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 7.331 4.232 0.435) 8.476 2.522 ( 10.113 5.839 -4.259) 12.429 2.645 ( 1.658 0.957 2.457) 3.114 2.938 ( 6.849 3.954 -2.381) 8.259 3.136 ( 7.109 4.105 -3.010) 8.743 3.604 ( -1.829 -1.056 -3.999) 4.522 3.630 ( 4.448 2.568 0.992) 5.231 3.767 ( 0.175 0.101 7.487) 7.490 4.300 ( 12.127 7.001 -4.047) 14.576 4.769 ( 8.581 4.954 5.050) 11.122 5.054 ( 10.213 5.897 0.016) 11.793 5.480 ( 14.797 8.543 -1.345) 17.139 7.581 ( 7.140 4.122 0.094) 8.245 8.411 ( -3.294 -1.902 1.448) 4.070 8.740 ( 3.417 1.973 -0.714) 4.010 9.023 ( 3.695 2.133 0.641) 4.314 9.255 ( 8.803 5.082 4.037) 10.937 9.533 ( -8.563 -4.944 1.911) 10.071 9.696 ( 4.246 2.451 -3.060) 5.779 10.194 ( -8.233 -4.753 3.908) 10.278 10.636 ( -7.722 -4.459 -3.095) 9.439 12.006 ( 1.344 0.776 -1.359) 2.062 13.586 ( 1.603 0.926 1.798) 2.581 14.331 ( 5.085 2.936 -0.092) 5.873 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 3.657 2.111 -1.692) 4.549 2.684 ( 0.986 0.569 5.277) 5.398 2.692 ( 6.310 3.643 -7.786) 10.663 3.080 ( 5.337 3.081 4.137) 7.422 3.265 ( 4.933 2.848 -4.494) 7.255 3.563 ( -1.354 -0.782 -1.100) 1.912 3.719 ( 3.087 1.782 1.567) 3.894 3.738 ( -3.148 -1.818 3.725) 5.205 4.517 ( 7.923 4.575 -1.818) 9.328 4.823 ( -0.962 -0.555 3.296) 3.478 5.368 ( 13.679 7.898 -0.985) 15.826 5.748 ( 8.517 4.917 1.136) 9.900 7.723 ( 5.090 2.939 0.568) 5.905 8.353 ( -2.067 -1.194 1.350) 2.743 8.805 ( 2.354 1.359 -0.457) 2.756 9.095 ( 2.479 1.431 0.443) 2.896 9.366 ( -6.263 -3.616 0.937) 7.292 9.445 ( 7.168 4.139 -0.407) 8.287 9.783 ( 3.211 1.854 -0.405) 3.730 10.073 ( -2.662 -1.537 1.968) 3.650 10.477 ( -6.196 -3.577 -1.082) 7.236 12.033 ( 1.224 0.707 -0.606) 1.538 13.625 ( 1.421 0.820 1.775) 2.417 14.412 ( 2.350 1.357 -1.324) 3.019 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 1.462 0.844 -2.626) 3.122 2.703 ( -0.601 -0.347 6.130) 6.169 2.791 ( 4.340 2.506 -7.038) 8.640 3.171 ( 0.933 0.539 5.870) 5.968 3.336 ( 2.256 1.303 -4.911) 5.559 3.536 ( -0.812 -0.469 -0.087) 0.942 3.678 ( -2.157 -1.245 1.990) 3.188 3.769 ( 0.926 0.535 1.870) 2.154 4.653 ( 4.375 2.526 -0.776) 5.112 4.791 ( -2.109 -1.218 2.266) 3.327 5.599 ( 6.521 3.765 -1.470) 7.671 5.860 ( 1.207 0.697 2.863) 3.184 7.796 ( 0.987 0.570 0.839) 1.415 8.326 ( -0.519 -0.300 0.644) 0.880 8.841 ( 0.868 0.501 -0.287) 1.042 9.133 ( 0.784 0.453 0.295) 0.952 9.265 ( -2.672 -1.543 0.118) 3.088 9.566 ( 4.040 2.333 -3.367) 5.754 9.804 ( -1.620 -0.935 2.434) 3.070 10.089 ( 2.579 1.489 0.237) 2.987 10.360 ( -3.361 -1.941 0.068) 3.882 12.055 ( 0.785 0.453 0.011) 0.906 13.652 ( 0.508 0.293 2.033) 2.116 14.438 ( 0.401 0.231 -2.145) 2.194 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 0.367 0.212 -2.978) 3.008 2.675 ( -3.280 -1.894 5.966) 7.067 2.869 ( 3.946 2.278 -5.086) 6.828 3.120 ( -6.472 -3.737 4.932) 8.954 3.347 ( -0.285 -0.164 -4.515) 4.527 3.543 ( 1.475 0.851 -0.751) 1.861 3.656 ( -0.429 -0.247 2.342) 2.393 3.766 ( -1.567 -0.905 1.833) 2.575 4.700 ( -0.585 -0.338 -0.986) 1.196 4.755 ( -0.979 -0.565 2.459) 2.707 5.625 ( -4.659 -2.690 -1.301) 5.535 5.837 ( -3.090 -1.784 3.128) 4.745 7.766 ( -3.612 -2.085 -0.001) 4.171 8.330 ( 0.571 0.330 1.523) 1.660 8.842 ( -0.768 -0.443 -0.277) 0.929 9.129 ( -1.148 -0.663 0.168) 1.336 9.253 ( 1.638 0.946 -0.082) 1.894 9.620 ( 1.524 0.880 -4.847) 5.157 9.736 ( -4.811 -2.778 2.421) 6.060 10.104 ( -1.323 -0.764 0.704) 1.682 10.378 ( 4.874 2.814 0.752) 5.678 12.066 ( 0.099 0.057 0.232) 0.259 13.654 ( -0.780 -0.450 2.213) 2.389 14.423 ( -1.207 -0.697 -2.542) 2.898 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -0.139 -0.081 -3.344) 3.348 2.575 ( -6.730 -3.886 5.358) 9.439 2.920 ( -11.413 -6.589 4.113) 13.806 2.947 ( 3.387 1.956 -4.474) 5.943 3.307 ( -2.482 -1.433 -3.208) 4.302 3.574 ( 0.624 0.360 0.626) 0.954 3.662 ( 0.651 0.376 0.819) 1.112 3.707 ( -3.897 -2.250 1.419) 4.718 4.637 ( -4.372 -2.524 -0.319) 5.058 4.739 ( -1.821 -1.051 1.396) 2.524 5.395 ( -14.430 -8.331 0.239) 16.664 5.733 ( -7.143 -4.124 1.324) 8.354 7.650 ( -6.054 -3.495 -1.973) 7.263 8.351 ( 0.669 0.386 4.395) 4.462 8.806 ( -2.306 -1.332 -0.479) 2.706 9.086 ( -2.577 -1.488 0.305) 2.991 9.334 ( 5.426 3.133 0.259) 6.271 9.549 ( -8.793 -5.077 1.912) 10.332 9.660 ( 0.018 0.010 -7.611) 7.611 10.094 ( 0.829 0.478 3.624) 3.748 10.532 ( 7.984 4.610 0.798) 9.254 12.060 ( -0.631 -0.364 -0.023) 0.729 13.626 ( -2.065 -1.192 2.194) 3.240 14.372 ( -2.960 -1.709 -2.399) 4.176 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -0.000 20.828 17.723) 27.348 1.076 ( -0.000 30.938 15.761) 34.721 1.651 ( -0.000 19.560 37.693) 42.466 2.066 ( 0.000 5.670 -13.717) 14.842 2.233 ( 0.000 18.358 -7.684) 19.901 2.816 ( -0.000 1.757 7.284) 7.492 2.894 ( -0.000 9.406 6.992) 11.720 3.326 ( 0.000 0.536 -1.516) 1.607 3.403 ( 0.000 6.514 -6.720) 9.359 3.627 ( 0.000 8.516 -24.051) 25.515 4.174 ( 0.000 -2.258 -12.364) 12.568 5.487 ( -0.000 -5.365 9.679) 11.067 7.595 ( -0.000 -40.101 23.487) 46.473 8.412 ( 0.000 1.638 -0.307) 1.666 8.618 ( 0.000 -0.603 -6.249) 6.278 8.722 ( -0.000 2.003 0.179) 2.011 9.063 ( -0.000 -3.800 3.169) 4.948 9.459 ( -0.000 -0.190 2.130) 2.138 10.259 ( -0.000 -4.119 1.916) 4.543 11.083 ( 0.000 29.841 -23.786) 38.161 11.806 ( 0.000 -12.328 -0.005) 12.328 11.904 ( 0.000 0.359 -1.620) 1.659 12.865 ( -0.000 19.790 3.198) 20.047 14.715 ( -0.000 -62.421 43.916) 76.322 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 11.964 21.904 12.596) 27.957 1.473 ( 9.894 18.457 17.612) 27.363 2.012 ( 10.031 23.205 0.994) 25.299 2.211 ( 9.523 10.351 -12.777) 19.002 2.521 ( 12.149 21.085 5.885) 25.036 2.835 ( -1.630 4.508 8.004) 9.330 3.101 ( 9.043 8.478 6.654) 14.069 3.355 ( 2.286 2.006 -1.216) 3.276 3.501 ( 6.980 7.839 -13.669) 17.234 3.766 ( 6.157 12.611 -8.344) 16.327 4.122 ( 0.603 1.031 -17.462) 17.502 5.417 ( -3.835 -6.147 10.505) 12.761 7.284 ( -5.253 -13.056 14.712) 20.359 8.458 ( 2.645 2.586 -0.389) 3.719 8.593 ( -0.118 -0.813 -8.496) 8.536 8.754 ( 1.071 2.990 0.332) 3.193 9.030 ( -2.155 -2.279 10.119) 10.594 9.465 ( 1.449 -0.701 -2.181) 2.711 10.185 ( -3.688 -4.471 2.206) 6.201 11.133 ( -8.225 1.403 -12.398) 14.944 11.603 ( -5.703 -21.588 -1.315) 22.367 11.928 ( 1.341 0.586 -2.838) 3.193 13.234 ( 15.986 19.603 3.110) 25.485 14.097 ( -20.375 -25.315 31.266) 45.094 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 11.911 21.118 8.492) 25.690 1.829 ( 10.643 13.498 12.409) 21.200 2.347 ( 12.599 9.023 -13.731) 20.705 2.454 ( 7.787 13.319 -17.345) 23.214 2.873 ( 0.134 7.398 8.984) 11.639 3.085 ( 20.692 23.663 10.515) 33.146 3.328 ( 8.358 3.315 3.611) 9.689 3.449 ( 4.238 7.410 1.765) 8.717 3.751 ( 14.754 10.074 -10.013) 20.480 3.859 ( -1.517 -0.340 -4.102) 4.387 4.305 ( 15.449 16.282 -14.234) 26.578 5.297 ( -5.613 -5.824 9.441) 12.432 7.230 ( 2.328 -0.615 7.863) 8.223 8.536 ( 2.339 2.602 -1.912) 3.987 8.562 ( 0.573 -0.259 -9.011) 9.033 8.817 ( 2.351 3.663 0.701) 4.409 9.009 ( -2.128 0.784 15.401) 15.567 9.487 ( 3.255 -1.403 -4.386) 5.639 10.063 ( -7.310 -2.566 2.566) 8.161 10.882 ( -13.648 -9.013 1.103) 16.393 11.223 ( -10.516 -20.993 -6.009) 24.236 11.949 ( 1.031 1.468 -2.321) 2.933 13.635 ( 4.526 11.810 0.730) 12.668 13.797 ( 0.933 -4.364 14.735) 15.396 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 7.795 18.919 5.361) 21.152 2.154 ( 10.642 12.026 4.743) 16.745 2.562 ( 6.312 6.857 -8.070) 12.329 2.653 ( 8.480 7.725 -15.568) 19.338 2.985 ( 1.266 10.788 5.506) 12.178 3.467 ( 5.720 2.249 0.947) 6.219 3.584 ( 7.697 8.532 -0.999) 11.534 3.654 ( 8.624 9.565 5.894) 14.164 3.840 ( 6.334 4.429 -2.570) 8.145 4.146 ( 20.030 12.450 -3.234) 23.805 4.747 ( 17.946 14.989 -5.654) 24.056 5.178 ( -3.496 -3.990 6.442) 8.345 7.338 ( 6.244 3.333 4.413) 8.341 8.502 ( -1.417 -2.243 -7.161) 7.637 8.639 ( 2.841 5.053 -1.189) 5.918 8.903 ( 3.138 3.923 0.956) 5.114 9.058 ( 1.713 3.875 13.422) 14.075 9.529 ( 4.502 -1.542 -4.167) 6.325 9.902 ( -10.588 -0.180 2.271) 10.831 10.553 ( -12.658 -11.968 5.987) 18.420 10.885 ( -7.416 -13.871 -7.474) 17.415 11.984 ( 0.900 3.258 -1.925) 3.890 13.617 ( -5.213 4.214 3.345) 7.492 14.027 ( 12.870 2.102 2.673) 13.311 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 2.896 16.097 2.480) 16.542 2.431 ( 8.579 10.353 -1.928) 13.583 2.677 ( 0.897 7.838 -1.677) 8.065 2.829 ( 8.392 4.085 -6.892) 11.602 3.141 ( 2.616 12.240 0.462) 12.525 3.581 ( 4.655 2.394 1.842) 5.549 3.610 ( -1.801 -1.047 -4.193) 4.682 3.803 ( 1.793 5.729 5.362) 8.049 4.141 ( 13.816 8.172 -3.749) 16.484 4.612 ( 18.509 10.380 2.877) 21.415 5.002 ( 2.001 2.971 2.049) 4.126 5.286 ( 15.560 6.644 -1.092) 16.954 7.500 ( 7.195 4.146 2.121) 8.570 8.435 ( -2.259 -2.678 -2.387) 4.239 8.730 ( 2.120 5.357 -0.871) 5.827 8.998 ( 3.126 3.959 0.657) 5.087 9.191 ( 5.522 5.029 7.615) 10.666 9.581 ( 2.925 -1.436 -1.693) 3.672 9.734 ( -9.086 2.163 0.136) 9.341 10.280 ( -8.734 -8.810 4.275) 13.121 10.657 ( -4.546 -10.546 -4.067) 12.183 12.033 ( 0.016 5.719 -1.399) 5.888 13.600 ( -1.702 2.596 1.821) 3.599 14.220 ( 9.048 -0.820 0.310) 9.091 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -1.483 13.702 0.086) 13.783 2.628 ( 5.404 7.713 -6.343) 11.355 2.752 ( -1.637 8.922 2.438) 9.392 2.984 ( 7.279 1.790 0.409) 7.507 3.297 ( 1.648 12.120 -1.840) 12.369 3.564 ( -1.162 -1.352 -1.575) 2.379 3.667 ( 2.891 0.130 2.960) 4.140 3.854 ( -3.480 7.029 1.932) 8.078 4.399 ( 10.467 4.536 -2.305) 11.638 4.825 ( 1.348 -0.411 4.383) 4.604 5.197 ( 14.358 7.722 -0.745) 16.320 5.602 ( 13.483 3.858 0.288) 14.027 7.658 ( 6.310 3.699 1.018) 7.385 8.369 ( -1.925 -2.826 0.079) 3.421 8.807 ( 1.081 5.054 -0.619) 5.205 9.081 ( 2.156 3.451 0.408) 4.089 9.333 ( 4.495 0.709 2.571) 5.227 9.531 ( -6.807 4.493 1.306) 8.260 9.728 ( 4.213 1.560 -2.243) 5.022 10.104 ( -4.758 -5.547 2.412) 7.696 10.497 ( -3.161 -8.147 -1.301) 8.835 12.087 ( -1.493 8.065 -0.729) 8.234 13.610 ( 0.568 0.186 1.684) 1.787 14.327 ( 6.189 -3.119 -1.119) 7.020 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -4.239 11.867 -1.128) 12.652 2.746 ( 3.013 5.376 -6.222) 8.757 2.802 ( -3.787 9.026 3.548) 10.412 3.102 ( 5.184 -0.545 2.152) 5.640 3.414 ( -0.853 10.764 -1.507) 10.902 3.535 ( -1.354 -0.682 0.649) 1.649 3.685 ( -0.109 -1.581 2.289) 2.784 3.861 ( -4.640 8.810 0.478) 9.969 4.576 ( 7.089 2.047 -0.807) 7.423 4.811 ( -1.367 -1.741 2.552) 3.378 5.481 ( 11.095 3.853 -0.928) 11.782 5.792 ( 7.019 -1.178 1.912) 7.370 7.774 ( 3.261 2.051 1.124) 4.013 8.321 ( -0.521 -2.567 0.046) 2.620 8.859 ( -0.270 4.216 -0.408) 4.244 9.136 ( 0.724 2.496 0.267) 2.613 9.323 ( -3.612 -0.248 1.138) 3.795 9.547 ( 0.820 5.241 -1.683) 5.565 9.804 ( 2.224 0.352 0.244) 2.265 10.032 ( 1.486 -3.702 0.899) 4.089 10.382 ( -2.582 -4.769 -0.011) 5.423 12.132 ( -3.264 9.416 -0.158) 9.967 13.625 ( 1.701 -1.874 2.016) 3.235 14.371 ( 4.212 -4.725 -2.050) 6.653 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -5.592 10.578 -1.615) 12.073 2.798 ( -5.406 6.587 4.173) 9.488 2.833 ( 1.513 5.036 -5.214) 7.405 3.142 ( 0.259 -2.485 1.894) 3.135 3.458 ( -6.623 9.547 -0.591) 11.635 3.509 ( 1.223 -1.834 0.358) 2.234 3.672 ( -0.871 0.203 1.712) 1.931 3.866 ( -5.022 8.030 0.671) 9.495 4.672 ( 3.218 -0.087 -1.122) 3.410 4.771 ( -1.650 -1.807 2.647) 3.605 5.614 ( 2.862 -1.716 -1.366) 3.606 5.829 ( 0.987 -5.119 3.086) 6.058 7.798 ( -1.680 -0.736 1.194) 2.188 8.306 ( 1.400 -1.886 0.061) 2.349 8.877 ( -1.796 3.228 -0.335) 3.710 9.154 ( -1.032 1.497 0.225) 1.832 9.284 ( -2.273 3.364 0.744) 4.127 9.596 ( 1.230 1.750 -3.476) 4.082 9.794 ( -2.874 -0.584 1.603) 3.342 10.050 ( 3.796 -5.494 -0.022) 6.678 10.340 ( 1.171 0.079 0.612) 1.324 12.155 ( -4.796 9.241 0.099) 10.412 13.636 ( 1.580 -2.770 2.312) 3.939 14.373 ( 2.724 -5.798 -2.519) 6.884 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -6.042 9.516 -1.986) 11.445 2.734 ( -9.572 4.700 4.129) 11.435 2.903 ( 2.836 3.355 -4.464) 6.263 3.055 ( -8.088 -2.853 2.534) 8.943 3.404 ( -6.947 6.153 -1.950) 9.483 3.538 ( 2.475 -0.990 0.271) 2.679 3.657 ( -1.453 -0.346 2.338) 2.774 3.844 ( -6.768 7.418 0.398) 10.050 4.662 ( -2.110 -2.956 -1.803) 4.055 4.748 ( -0.330 -1.135 3.087) 3.306 5.514 ( -8.593 -7.780 -0.705) 11.613 5.764 ( -2.429 -6.936 2.513) 7.767 7.716 ( -5.590 -2.829 -0.003) 6.265 8.325 ( 2.335 -1.606 2.184) 3.577 8.860 ( -3.401 2.401 -0.412) 4.183 9.131 ( -2.878 0.617 0.179) 2.949 9.322 ( 1.266 5.543 0.952) 5.765 9.595 ( -1.169 -2.120 -2.966) 3.829 9.715 ( -6.139 1.230 -1.224) 6.379 10.047 ( 3.007 -4.900 1.535) 5.951 10.424 ( 7.078 1.011 0.735) 7.187 12.149 ( -5.644 7.560 -0.033) 9.434 13.633 ( 0.318 -2.121 2.366) 3.193 14.340 ( 1.214 -6.576 -2.467) 7.127 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.000 23.110 12.281) 26.170 1.633 ( -0.000 20.462 15.513) 25.677 2.148 ( 0.000 7.943 -12.450) 14.768 2.222 ( 0.000 26.058 -11.857) 28.629 2.687 ( -0.000 28.645 12.698) 31.333 2.899 ( -0.000 3.815 5.899) 7.025 3.152 ( -0.000 12.785 8.708) 15.469 3.340 ( 0.000 1.732 -1.361) 2.203 3.498 ( 0.000 11.138 -16.381) 19.809 3.847 ( 0.000 13.299 -3.112) 13.658 4.101 ( 0.000 6.534 -19.431) 20.501 5.407 ( -0.000 -7.325 11.898) 13.973 7.232 ( -0.000 -10.267 16.721) 19.621 8.460 ( 0.000 3.346 -0.204) 3.352 8.566 ( 0.000 -1.318 -9.596) 9.686 8.777 ( -0.000 3.540 0.190) 3.545 9.059 ( -0.000 0.966 9.326) 9.376 9.440 ( 0.000 -1.756 -1.367) 2.225 10.148 ( -0.000 -8.011 2.040) 8.266 11.198 ( 0.000 -1.500 -16.804) 16.871 11.430 ( -0.000 -25.421 4.504) 25.817 11.911 ( 0.000 1.063 -1.675) 1.984 13.290 ( -0.000 17.187 6.591) 18.408 14.085 ( -0.000 -19.438 19.444) 27.494 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 10.423 21.599 9.594) 25.831 1.888 ( 4.105 17.974 11.463) 21.710 2.253 ( 6.275 9.046 -11.839) 16.167 2.443 ( 4.979 15.301 -22.094) 27.333 2.963 ( 1.355 8.678 6.437) 10.889 3.117 ( 9.879 28.353 12.969) 32.706 3.294 ( 1.447 8.200 5.099) 9.764 3.428 ( 6.255 6.245 1.872) 9.035 3.651 ( 7.063 13.248 -11.466) 18.891 3.889 ( -2.251 1.478 -5.420) 6.052 4.269 ( 7.152 22.319 -13.653) 27.123 5.333 ( -3.238 -6.965 11.113) 13.509 7.213 ( 1.163 -1.438 13.913) 14.036 8.523 ( 1.613 2.437 -3.072) 4.240 8.528 ( 0.998 0.536 -8.570) 8.644 8.827 ( 1.331 4.211 0.424) 4.436 9.089 ( -1.544 2.917 12.162) 12.602 9.425 ( 1.101 -1.860 -2.497) 3.303 10.076 ( 0.320 -7.713 2.302) 8.056 11.020 ( -11.976 -9.064 -4.199) 15.595 11.127 ( -5.541 -22.933 -2.938) 23.776 11.935 ( 1.552 1.492 -2.065) 2.983 13.546 ( 11.800 8.006 6.306) 15.592 13.919 ( -8.834 -1.595 7.943) 11.986 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 9.173 16.748 7.075) 20.364 2.181 ( 7.463 19.986 5.340) 21.992 2.456 ( 9.990 7.913 -10.173) 16.307 2.605 ( 5.214 10.127 -17.800) 21.133 3.102 ( 1.650 11.775 5.384) 13.053 3.394 ( 4.895 2.714 2.271) 6.040 3.555 ( 8.041 15.867 2.436) 17.955 3.634 ( 7.324 8.565 3.926) 11.933 3.818 ( 1.191 4.576 -3.923) 6.144 3.992 ( 12.251 17.309 -4.605) 21.700 4.638 ( 12.704 20.793 -6.939) 25.336 5.221 ( -4.829 -5.677 8.511) 11.313 7.297 ( 4.101 3.291 9.978) 11.278 8.481 ( -0.697 -1.256 -10.427) 10.525 8.633 ( 3.988 5.468 -0.999) 6.841 8.902 ( 2.219 4.415 1.025) 5.046 9.127 ( -1.110 4.758 12.704) 13.611 9.439 ( 3.188 -1.216 -3.228) 4.697 10.010 ( -2.228 -4.485 2.297) 5.510 10.649 ( -13.588 -16.473 4.824) 21.892 10.843 ( -6.866 -12.827 -8.745) 16.974 11.986 ( 2.318 3.464 -1.783) 4.534 13.764 ( 1.257 -2.360 4.909) 5.590 13.858 ( 3.047 9.094 1.416) 9.695 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 6.809 12.391 3.218) 14.500 2.504 ( 3.760 21.430 0.360) 21.760 2.686 ( 9.936 7.907 -4.183) 13.369 2.745 ( 4.254 8.646 -11.116) 14.711 3.257 ( 0.358 13.749 4.109) 14.354 3.512 ( 6.024 1.313 1.786) 6.419 3.632 ( -1.900 -0.472 -3.012) 3.593 3.825 ( 5.127 8.257 2.800) 10.115 4.015 ( 9.788 11.016 -4.019) 15.275 4.427 ( 17.040 15.989 2.180) 23.469 5.013 ( 7.901 13.063 -1.670) 15.358 5.133 ( 2.756 -2.219 3.707) 5.125 7.440 ( 5.711 4.807 5.855) 9.487 8.429 ( -1.315 -2.260 -6.300) 6.821 8.750 ( 2.946 6.663 -0.920) 7.343 8.990 ( 2.876 4.301 0.948) 5.260 9.205 ( 1.309 5.799 8.663) 10.506 9.496 ( 4.801 0.206 -2.100) 5.244 9.905 ( -7.546 -1.233 0.867) 7.695 10.334 ( -8.104 -11.311 3.975) 14.471 10.603 ( -5.139 -12.033 -5.211) 14.084 12.074 ( 2.495 6.645 -1.244) 7.206 13.708 ( -5.955 3.254 1.598) 6.971 14.037 ( 9.767 -1.339 0.812) 9.892 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 4.137 10.185 0.369) 10.999 2.710 ( -0.613 17.038 -3.131) 17.334 2.869 ( 2.181 9.636 -5.817) 11.465 2.912 ( 5.432 10.337 2.046) 11.855 3.389 ( 0.627 9.782 2.291) 10.067 3.576 ( -0.421 0.133 -3.247) 3.277 3.635 ( 2.787 2.974 4.026) 5.729 3.967 ( 0.879 9.510 0.400) 9.559 4.263 ( 10.174 6.228 -2.973) 12.294 4.779 ( 7.600 4.702 4.252) 9.897 5.083 ( 5.118 5.447 0.180) 7.476 5.395 ( 14.526 4.142 -0.123) 15.105 7.598 ( 5.967 4.952 2.892) 8.276 8.365 ( -1.724 -3.551 -2.432) 4.636 8.852 ( 1.155 7.246 -0.596) 7.362 9.081 ( 2.650 4.087 0.194) 4.875 9.300 ( 2.319 3.225 4.156) 5.749 9.593 ( 4.934 2.566 0.465) 5.581 9.760 ( -7.547 0.021 -1.079) 7.624 10.151 ( -6.448 -4.338 1.433) 7.903 10.428 ( -0.898 -11.238 -1.322) 11.351 12.188 ( 1.170 10.472 -0.674) 10.558 13.646 ( -4.195 1.057 1.366) 4.537 14.153 ( 8.169 -5.728 -0.681) 10.000 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 0.487 8.313 -0.752) 8.361 2.821 ( -3.186 14.555 -2.706) 15.143 2.977 ( -0.442 10.735 -3.015) 11.159 3.058 ( 0.547 8.271 2.616) 8.692 3.456 ( 0.699 0.096 2.472) 2.571 3.607 ( 1.244 7.013 -2.706) 7.619 3.701 ( -1.544 5.426 4.131) 6.992 4.042 ( -3.664 11.290 -0.901) 11.904 4.460 ( 8.442 2.731 -1.266) 8.963 4.822 ( -1.150 -0.961 3.151) 3.489 5.316 ( 12.027 4.375 -0.582) 12.812 5.622 ( 10.799 -2.202 1.070) 11.073 7.740 ( 4.470 4.112 1.974) 6.386 8.297 ( -1.014 -4.249 -1.329) 4.566 8.924 ( -0.757 6.879 -0.462) 6.936 9.151 ( 1.215 3.431 0.022) 3.640 9.351 ( 0.538 0.838 2.104) 2.328 9.638 ( -4.582 3.699 1.425) 6.058 9.733 ( 5.493 -0.018 -1.737) 5.762 10.018 ( -4.887 -3.353 -0.836) 5.985 10.348 ( 0.816 -5.621 0.769) 5.732 12.302 ( -1.994 13.879 -0.269) 14.024 13.596 ( -1.231 -2.415 1.858) 3.286 14.205 ( 6.769 -8.509 -1.791) 11.020 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -2.649 7.849 -0.201) 8.287 2.886 ( -3.885 12.500 -2.135) 13.262 3.027 ( -6.663 11.672 -1.020) 13.479 3.123 ( 0.961 2.938 -0.041) 3.092 3.459 ( 1.388 -2.513 2.025) 3.513 3.689 ( -0.832 1.525 1.846) 2.535 3.707 ( -6.305 13.745 0.836) 15.145 4.068 ( -6.263 11.971 -0.864) 13.538 4.593 ( 5.660 0.324 -0.795) 5.724 4.789 ( -1.904 -1.299 2.399) 3.327 5.502 ( 7.700 -1.423 -0.713) 7.863 5.717 ( 5.604 -7.302 1.989) 9.417 7.818 ( 0.210 1.711 2.467) 3.009 8.253 ( 1.176 -3.787 -1.760) 4.338 8.958 ( -2.403 5.962 -0.436) 6.443 9.188 ( -0.411 2.588 0.146) 2.624 9.358 ( -1.401 2.583 1.598) 3.345 9.613 ( -1.802 1.649 0.169) 2.448 9.810 ( 2.507 0.723 -1.197) 2.870 9.927 ( 0.566 -6.738 -0.883) 6.820 10.335 ( 0.146 0.225 0.805) 0.848 12.377 ( -6.184 15.094 -0.125) 16.313 13.571 ( 1.785 -4.394 2.355) 5.295 14.215 ( 5.813 -10.166 -2.393) 11.953 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -5.366 8.561 0.106) 10.104 2.927 ( -3.504 8.171 -0.049) 8.891 2.980 ( -9.199 8.839 -2.244) 12.953 3.144 ( -2.415 3.103 -0.895) 4.033 3.475 ( 2.648 -1.737 0.961) 3.309 3.619 ( -8.922 4.286 2.676) 10.253 3.740 ( -5.031 8.073 0.993) 9.564 4.061 ( -7.766 11.047 -0.763) 13.525 4.642 ( 0.824 -2.243 -2.326) 3.334 4.755 ( -1.004 -0.655 3.599) 3.793 5.522 ( -0.994 -6.751 -1.156) 6.921 5.694 ( 1.649 -9.826 2.810) 10.352 7.784 ( -4.666 -1.309 2.136) 5.296 8.259 ( 3.164 -2.512 -0.608) 4.086 8.959 ( -3.839 5.119 -0.444) 6.414 9.187 ( -2.226 1.613 0.066) 2.749 9.379 ( -0.523 4.895 1.199) 5.067 9.591 ( -1.530 -1.585 0.088) 2.205 9.816 ( -2.842 2.879 -2.044) 4.533 9.913 ( 5.404 -6.950 -0.222) 8.807 10.355 ( 1.596 0.658 0.722) 1.872 12.381 ( -9.410 12.777 -0.154) 15.869 13.582 ( 3.145 -2.975 2.441) 4.970 14.197 ( 4.881 -10.888 -2.410) 12.173 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -0.000 20.394 8.606) 22.135 2.059 ( -0.000 18.227 9.238) 20.434 2.249 ( 0.000 6.832 -7.883) 10.431 2.490 ( 0.000 13.083 -25.915) 29.031 3.005 ( -0.000 4.897 1.734) 5.195 3.354 ( -0.000 24.550 11.557) 27.134 3.391 ( -0.000 4.075 -0.166) 4.078 3.450 ( -0.000 15.887 7.604) 17.613 3.717 ( 0.000 15.588 -6.713) 16.972 3.928 ( 0.000 6.724 -7.747) 10.257 4.428 ( 0.000 26.044 -8.983) 27.550 5.318 ( -0.000 -6.335 10.227) 12.030 7.233 ( -0.000 1.481 15.378) 15.449 8.496 ( 0.000 -0.637 -12.248) 12.265 8.537 ( -0.000 4.492 0.014) 4.492 8.857 ( -0.000 4.512 0.134) 4.514 9.166 ( -0.000 5.085 9.878) 11.110 9.398 ( 0.000 -1.695 0.022) 1.695 9.972 ( -0.000 -10.640 1.920) 10.812 10.946 ( -0.000 -24.136 3.159) 24.342 11.030 ( 0.000 -7.993 -10.598) 13.275 11.930 ( 0.000 1.657 -1.534) 2.258 13.513 ( -0.000 3.643 6.321) 7.296 14.021 ( -0.000 4.670 3.407) 5.780 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 8.825 17.359 6.204) 20.438 2.262 ( 3.543 15.387 2.824) 16.040 2.379 ( 7.247 9.090 -3.359) 12.101 2.579 ( 3.433 9.768 -20.724) 23.167 3.115 ( 6.580 5.995 -0.042) 8.902 3.418 ( -1.091 6.313 3.251) 7.184 3.583 ( 5.767 5.833 1.167) 8.285 3.627 ( 1.873 10.395 3.554) 11.144 3.885 ( 0.773 15.261 -2.209) 15.439 4.067 ( 3.034 23.760 -1.934) 24.031 4.699 ( 4.656 22.957 -4.880) 23.928 5.259 ( -3.109 -3.821 7.096) 8.638 7.310 ( 1.855 4.484 12.907) 13.789 8.460 ( -0.614 -0.273 -11.544) 11.563 8.614 ( 3.493 5.005 -0.120) 6.105 8.916 ( 1.456 4.648 0.395) 4.887 9.228 ( -1.384 5.957 8.764) 10.687 9.394 ( 0.894 -0.213 0.494) 1.044 9.910 ( 4.026 -10.119 2.033) 11.079 10.665 ( -7.770 -20.106 2.746) 21.729 10.856 ( -7.392 -8.018 -8.817) 14.024 11.970 ( 2.659 2.759 -1.435) 4.092 13.616 ( 7.357 -0.172 3.385) 8.100 14.039 ( -5.538 8.234 1.956) 10.114 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 5.409 13.550 3.328) 14.965 2.547 ( 13.721 9.626 -3.797) 17.185 2.614 ( 6.264 16.038 1.174) 17.258 2.711 ( 6.518 7.760 -11.908) 15.637 3.325 ( 8.997 8.404 -0.178) 12.313 3.468 ( -0.424 4.065 4.339) 5.960 3.634 ( 0.089 -0.617 -2.785) 2.854 3.803 ( 6.885 7.684 3.686) 10.956 4.034 ( 1.723 13.938 -5.019) 14.914 4.414 ( 7.632 23.268 3.210) 24.697 4.983 ( 7.958 12.777 -1.148) 15.097 5.184 ( -5.291 2.571 2.643) 6.449 7.431 ( 3.459 5.938 8.560) 10.977 8.417 ( -1.277 -1.308 -7.957) 8.164 8.741 ( 5.005 5.779 -0.414) 7.656 8.992 ( 2.061 4.422 0.834) 4.949 9.280 ( -0.928 5.825 5.527) 8.084 9.436 ( 2.917 2.314 0.967) 3.847 9.899 ( 3.418 -7.533 1.216) 8.360 10.355 ( -8.224 -13.695 2.351) 16.146 10.618 ( -9.138 -8.209 -5.994) 13.668 12.070 ( 4.680 5.594 -1.035) 7.367 13.725 ( 5.630 -2.574 0.532) 6.213 14.018 ( -5.322 6.295 1.926) 8.465 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 4.569 11.517 1.417) 12.471 2.756 ( 5.787 5.750 -4.943) 9.539 2.889 ( 5.962 10.710 -3.314) 12.697 2.951 ( 10.059 16.913 -0.299) 19.681 3.480 ( -2.243 4.370 4.461) 6.636 3.530 ( 4.690 0.331 -0.479) 4.726 3.651 ( 2.889 6.441 -0.653) 7.089 3.998 ( 5.776 8.328 0.891) 10.174 4.199 ( 5.168 9.673 -3.213) 11.428 4.730 ( 6.971 12.080 3.046) 14.276 5.101 ( 0.601 0.990 0.912) 1.474 5.264 ( 5.449 10.665 -0.574) 11.990 7.573 ( 4.431 6.367 4.661) 9.050 8.354 ( -1.969 -3.275 -3.963) 5.506 8.881 ( 4.069 6.727 -0.354) 7.870 9.074 ( 2.501 4.000 0.396) 4.735 9.328 ( -0.112 3.738 2.424) 4.456 9.535 ( 4.335 3.774 1.677) 5.987 9.839 ( -3.612 -5.094 -0.837) 6.301 10.195 ( -0.109 -4.760 2.969) 5.611 10.372 ( -8.335 -9.135 -3.783) 12.932 12.229 ( 5.456 9.408 -0.517) 10.888 13.735 ( -2.307 -1.133 -0.160) 2.575 14.005 ( 0.846 -1.835 1.001) 2.255 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 1.224 9.311 0.180) 9.393 2.890 ( 5.591 4.442 -2.115) 7.447 3.057 ( 1.330 12.274 -2.005) 12.507 3.218 ( 1.517 14.300 -1.024) 14.416 3.469 ( -2.312 0.293 4.414) 4.992 3.580 ( 4.323 1.514 -0.913) 4.671 3.816 ( 2.290 12.472 1.042) 12.723 4.151 ( 2.496 8.561 -0.350) 8.924 4.371 ( 6.229 6.115 -1.807) 8.914 4.852 ( -0.415 2.343 2.548) 3.486 5.200 ( 6.379 5.682 -0.438) 8.554 5.433 ( 8.064 -0.456 0.565) 8.097 7.719 ( 4.404 6.143 2.678) 8.019 8.273 ( -1.979 -4.878 -2.129) 5.678 8.997 ( 1.209 7.466 -0.208) 7.566 9.152 ( 2.430 3.075 -0.206) 3.925 9.359 ( 0.141 1.815 1.755) 2.529 9.640 ( 4.476 0.651 -0.022) 4.523 9.725 ( -3.986 -2.103 1.221) 4.669 10.124 ( -9.836 -2.668 -3.721) 10.850 10.251 ( 5.491 -2.920 2.324) 6.639 12.424 ( 4.078 13.614 -0.182) 14.212 13.647 ( -5.905 -1.553 1.014) 6.190 14.003 ( 4.830 -8.967 -0.876) 10.223 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -0.935 6.726 -0.369) 6.800 3.015 ( 3.461 5.035 0.744) 6.155 3.161 ( -2.306 11.105 -1.831) 11.488 3.272 ( -5.150 7.990 -3.538) 10.143 3.438 ( -1.426 -1.278 4.063) 4.492 3.711 ( 3.252 7.911 0.379) 8.562 3.940 ( -3.411 13.752 1.240) 14.223 4.246 ( -1.036 8.480 -0.350) 8.550 4.510 ( 5.099 3.578 -1.341) 6.372 4.840 ( -3.503 2.440 2.069) 4.744 5.351 ( 7.561 -0.740 -0.298) 7.603 5.525 ( 7.564 -8.179 0.963) 11.182 7.838 ( 1.889 4.841 2.976) 5.989 8.194 ( -0.294 -5.426 -2.596) 6.022 9.062 ( -1.858 7.202 -0.369) 7.447 9.210 ( 1.125 2.461 -0.044) 2.706 9.381 ( 0.507 1.182 1.184) 1.748 9.644 ( -0.252 -2.874 0.972) 3.045 9.736 ( 3.087 0.479 1.856) 3.634 9.934 ( -6.274 -4.950 -4.117) 8.989 10.338 ( 2.248 4.102 1.008) 4.784 12.608 ( -0.988 17.131 -0.236) 17.161 13.537 ( -3.277 -4.189 2.181) 5.748 13.987 ( 6.351 -12.777 -2.069) 14.417 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( -1.928 5.064 0.026) 5.419 3.094 ( -2.055 5.964 3.684) 7.305 3.167 ( -3.619 3.176 -4.640) 6.687 3.255 ( -6.190 11.035 -3.554) 13.142 3.427 ( 1.013 -1.484 3.273) 3.734 3.779 ( -4.730 6.610 1.165) 8.211 3.975 ( -7.634 12.735 0.946) 14.878 4.278 ( -4.866 8.224 -0.228) 9.559 4.600 ( 2.193 1.294 -1.882) 3.166 4.804 ( -3.693 2.910 2.449) 5.301 5.420 ( 4.582 -6.496 -0.441) 7.962 5.536 ( 5.032 -11.571 1.628) 12.723 7.860 ( -3.845 1.023 3.902) 5.573 8.170 ( 3.510 -3.151 -3.025) 5.603 9.079 ( -3.634 6.370 -0.498) 7.350 9.232 ( -1.014 1.751 0.099) 2.026 9.409 ( 1.022 1.716 -0.218) 2.009 9.620 ( -1.679 -1.591 4.957) 5.470 9.761 ( 2.144 -6.890 -0.760) 7.256 9.849 ( 1.199 2.001 -4.088) 4.707 10.386 ( -1.710 3.972 0.395) 4.342 12.687 ( -9.391 15.849 -0.362) 18.426 13.498 ( 3.039 -3.231 2.566) 5.124 13.964 ( 7.136 -14.154 -2.321) 16.020 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -0.000 13.109 0.819) 13.135 2.365 ( -0.000 7.838 2.049) 8.101 2.406 ( 0.000 14.074 -2.630) 14.318 2.616 ( 0.000 11.191 -12.372) 16.682 3.091 ( 0.000 3.973 -2.450) 4.667 3.498 ( -0.000 6.453 1.025) 6.534 3.572 ( 0.000 2.025 -0.675) 2.135 3.703 ( -0.000 6.304 6.086) 8.762 4.038 ( 0.000 16.430 -5.319) 17.269 4.309 ( -0.000 28.947 3.373) 29.143 4.862 ( 0.000 17.559 -1.366) 17.612 5.287 ( -0.000 2.505 2.973) 3.888 7.374 ( -0.000 5.994 11.957) 13.375 8.443 ( 0.000 0.290 -10.393) 10.397 8.630 ( -0.000 4.851 0.232) 4.856 8.949 ( -0.000 4.695 0.032) 4.695 9.309 ( -0.000 5.698 0.222) 5.702 9.408 ( -0.000 2.351 8.632) 8.946 9.760 ( -0.000 -11.579 1.564) 11.684 10.548 ( 0.000 -17.285 0.316) 17.288 10.827 ( 0.000 -8.567 -7.022) 11.077 11.961 ( 0.000 2.048 -1.244) 2.396 13.571 ( -0.000 1.867 1.877) 2.647 14.167 ( -0.000 7.273 1.926) 7.524 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 11.044 7.730 -2.653) 13.739 2.478 ( 2.348 10.821 0.053) 11.073 2.585 ( 8.219 8.414 -4.530) 12.605 2.735 ( 1.440 13.235 -0.945) 13.347 3.204 ( 9.089 4.288 -2.590) 10.378 3.543 ( -1.276 3.529 1.203) 3.941 3.614 ( 2.379 2.270 -1.613) 3.663 3.786 ( 2.993 4.367 6.085) 8.065 4.168 ( -1.147 14.731 -5.360) 15.718 4.596 ( 1.033 24.227 4.110) 24.595 4.999 ( 1.831 6.819 0.733) 7.098 5.335 ( -3.028 12.485 -0.837) 12.874 7.473 ( 1.434 6.987 8.538) 11.125 8.414 ( -1.274 -0.508 -7.135) 7.265 8.712 ( 3.862 4.805 0.157) 6.167 9.007 ( 1.441 4.426 0.241) 4.661 9.345 ( -0.572 3.923 -2.585) 4.733 9.466 ( -0.169 6.071 8.673) 10.588 9.714 ( 6.384 -10.245 1.585) 12.175 10.346 ( -5.525 -13.219 -0.279) 14.330 10.671 ( -6.543 -7.681 -5.293) 11.394 12.025 ( 4.990 3.325 -0.970) 6.074 13.625 ( 3.493 0.577 0.220) 3.548 14.190 ( -5.293 5.997 2.073) 8.263 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 6.161 7.718 -3.590) 10.508 2.688 ( 11.343 8.125 0.217) 13.954 2.798 ( 9.562 5.928 -1.972) 11.422 2.931 ( 7.704 12.443 0.609) 14.647 3.427 ( 10.120 4.092 -1.038) 10.965 3.541 ( -0.971 0.485 0.843) 1.375 3.664 ( 1.055 4.601 0.673) 4.768 3.943 ( 8.571 5.200 2.375) 10.303 4.268 ( -0.942 11.892 -3.316) 12.382 4.795 ( 0.811 10.563 2.894) 10.982 5.087 ( 2.020 6.797 -0.425) 7.104 5.408 ( -4.380 14.094 -0.742) 14.778 7.592 ( 2.610 7.334 4.901) 9.199 8.355 ( -2.542 -2.516 -3.612) 5.083 8.845 ( 6.026 4.697 0.015) 7.641 9.079 ( 1.954 4.124 0.442) 4.585 9.363 ( -0.261 2.338 -1.783) 2.952 9.555 ( 0.605 7.015 5.384) 8.864 9.752 ( 6.507 -6.795 -0.547) 9.424 10.144 ( -3.927 -9.135 1.433) 10.046 10.461 ( -8.889 -5.563 -3.933) 11.200 12.186 ( 8.445 6.395 -0.495) 10.604 13.673 ( 3.041 -2.529 -1.158) 4.121 14.121 ( -8.676 3.467 2.224) 9.605 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 7.229 5.111 -2.865) 9.305 2.862 ( 1.375 7.990 1.476) 8.241 3.051 ( 10.970 7.154 -1.023) 13.136 3.207 ( 10.633 6.882 0.899) 12.697 3.507 ( 0.601 -1.586 -1.333) 2.157 3.560 ( 0.197 5.641 1.980) 5.982 3.826 ( 8.813 8.604 -0.264) 12.319 4.146 ( 7.065 6.424 0.366) 9.556 4.365 ( 1.810 8.202 -0.984) 8.456 4.864 ( 1.673 1.291 0.734) 2.238 5.200 ( 1.639 8.337 -0.403) 8.506 5.436 ( -4.623 6.858 0.171) 8.273 7.723 ( 3.520 7.146 2.365) 8.309 8.266 ( -3.214 -4.406 -1.555) 5.671 8.995 ( 6.022 4.701 0.024) 7.640 9.149 ( 1.573 3.555 0.219) 3.893 9.377 ( 0.139 1.345 -0.832) 1.588 9.620 ( -0.123 2.838 2.793) 3.984 9.748 ( -0.998 -2.362 -2.011) 3.258 10.079 ( 3.465 -9.465 2.794) 10.459 10.285 ( -6.015 1.971 -2.742) 6.898 12.423 ( 9.771 10.284 -0.044) 14.185 13.665 ( 0.713 -5.079 -1.703) 5.405 13.984 ( -9.126 -1.103 1.946) 9.396 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 1.531 4.547 -0.119) 4.799 2.966 ( 4.380 5.786 -0.453) 7.271 3.251 ( 3.930 7.012 -0.565) 8.058 3.321 ( 0.521 -0.749 0.716) 1.160 3.485 ( -0.942 -0.428 0.102) 1.039 3.726 ( 6.658 11.588 0.141) 13.365 4.051 ( 6.035 10.602 0.240) 12.201 4.275 ( 2.144 4.274 -0.278) 4.790 4.487 ( 3.939 6.071 -0.296) 7.243 4.918 ( 1.746 3.656 0.383) 4.069 5.277 ( 1.247 2.081 -0.133) 2.429 5.389 ( -2.235 -3.732 0.325) 4.363 7.855 ( 3.493 6.650 1.440) 7.648 8.159 ( -3.005 -5.844 -1.165) 6.674 9.128 ( 3.272 5.530 0.045) 6.425 9.200 ( 1.291 2.145 -0.090) 2.505 9.387 ( 0.024 0.625 0.115) 0.636 9.609 ( -1.051 -2.011 -0.431) 2.309 9.734 ( 0.309 1.571 1.468) 2.172 9.959 ( -4.601 -9.521 -0.974) 10.619 10.343 ( 3.750 7.007 -0.018) 7.948 12.703 ( 8.433 14.455 0.067) 16.735 13.590 ( -3.731 -4.724 -0.297) 6.027 13.819 ( -4.105 -8.760 0.253) 9.678 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -2.009 5.593 0.836) 6.001 3.083 ( 5.017 1.701 -0.670) 5.339 3.264 ( -5.114 1.029 -1.390) 5.398 3.335 ( 2.144 -0.547 0.455) 2.259 3.490 ( -2.386 5.786 0.558) 6.284 3.896 ( 0.757 8.094 0.211) 8.132 4.194 ( -3.405 11.201 -0.802) 11.734 4.335 ( 2.830 0.998 1.610) 3.405 4.601 ( 2.234 6.101 -1.303) 6.627 4.960 ( -5.382 9.086 1.005) 10.608 5.283 ( 2.296 -6.221 0.090) 6.632 5.327 ( 4.852 -11.587 0.244) 12.565 7.948 ( -2.043 4.410 4.234) 6.446 8.072 ( 2.048 -5.055 -3.947) 6.733 9.190 ( -2.144 5.736 -0.375) 6.135 9.246 ( 1.622 1.316 0.113) 2.092 9.396 ( 0.853 0.181 -0.139) 0.883 9.582 ( 1.397 -3.491 1.275) 3.971 9.755 ( -3.139 -0.791 3.951) 5.108 9.816 ( 0.398 -3.181 -4.868) 5.828 10.451 ( 0.675 5.609 0.072) 5.650 12.950 ( -0.014 17.557 -0.424) 17.563 13.468 ( -3.782 -3.425 2.455) 5.663 13.702 ( 4.430 -15.085 -2.081) 15.859 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 0.000 4.618 -2.929) 5.468 2.553 ( 0.000 6.572 -11.046) 12.854 2.578 ( -0.000 9.436 5.970) 11.166 2.866 ( -0.000 13.908 3.552) 14.355 3.149 ( 0.000 3.496 -2.855) 4.514 3.564 ( 0.000 -0.706 -1.838) 1.969 3.632 ( -0.000 6.344 0.694) 6.382 3.799 ( -0.000 0.392 5.440) 5.454 4.308 ( 0.000 13.458 -4.371) 14.150 4.799 ( -0.000 13.693 4.092) 14.292 5.060 ( 0.000 10.303 -0.680) 10.325 5.502 ( 0.000 15.853 -1.487) 15.922 7.549 ( -0.000 7.583 6.481) 9.975 8.409 ( 0.000 -0.659 -4.888) 4.932 8.722 ( -0.000 4.315 0.346) 4.329 9.035 ( -0.000 4.048 -0.071) 4.049 9.384 ( 0.000 4.330 -3.762) 5.736 9.547 ( -0.000 -10.576 1.076) 10.630 9.563 ( -0.000 7.617 9.235) 11.971 10.274 ( 0.000 -10.595 -1.853) 10.755 10.642 ( 0.000 -7.983 -3.963) 8.912 11.997 ( 0.000 2.106 -0.896) 2.289 13.617 ( 0.000 2.466 -0.322) 2.487 14.294 ( -0.000 4.715 2.176) 5.193 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 12.621 3.895 -0.819) 13.234 2.616 ( 3.247 5.451 -6.649) 9.190 2.733 ( 6.843 7.011 3.106) 10.278 2.983 ( -0.588 9.899 1.443) 10.020 3.287 ( 10.704 5.516 -0.568) 12.055 3.549 ( -0.569 -0.620 -0.747) 1.126 3.697 ( 0.223 3.608 0.341) 3.631 3.846 ( 6.051 0.438 2.740) 6.657 4.405 ( -1.755 11.250 -2.756) 11.715 4.860 ( -0.730 1.117 1.756) 2.205 5.196 ( -0.532 16.243 -0.941) 16.279 5.617 ( -3.598 13.649 -0.828) 14.140 7.644 ( 1.078 7.503 3.884) 8.517 8.370 ( -2.255 -1.964 -2.512) 3.905 8.797 ( 3.936 3.680 0.296) 5.397 9.086 ( 1.566 3.479 0.054) 3.815 9.387 ( -1.378 0.900 -2.187) 2.737 9.548 ( 8.335 -5.227 -0.166) 9.840 9.649 ( -0.845 7.606 6.337) 9.936 10.141 ( -4.305 -7.481 -1.436) 8.750 10.513 ( -4.962 -6.688 -2.883) 8.813 12.085 ( 7.659 3.027 -0.606) 8.258 13.640 ( 0.054 1.054 -1.113) 1.534 14.289 ( -5.743 3.237 2.300) 6.982 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 5.654 4.160 -2.365) 7.408 2.803 ( 17.120 3.888 -0.365) 17.560 2.931 ( 6.980 6.246 3.487) 9.995 3.087 ( 6.306 4.042 -1.273) 7.598 3.486 ( 1.566 0.864 -1.788) 2.529 3.576 ( 5.640 4.870 1.938) 7.700 3.737 ( 5.024 1.871 -1.221) 5.499 4.026 ( 11.580 2.667 1.339) 11.959 4.460 ( -2.417 8.640 -1.231) 9.056 4.845 ( -0.121 -1.638 -0.211) 1.656 5.316 ( -2.308 12.618 -0.512) 12.837 5.632 ( -7.486 8.556 -0.325) 11.373 7.747 ( 2.193 6.622 1.390) 7.113 8.288 ( -3.863 -3.257 -0.576) 5.086 8.919 ( 6.416 2.780 0.256) 6.997 9.151 ( 2.188 2.868 0.171) 3.612 9.378 ( 0.339 0.260 -1.900) 1.948 9.644 ( 5.318 -2.773 1.230) 6.122 9.714 ( -0.056 5.801 0.782) 5.854 10.002 ( -3.542 -6.071 1.326) 7.152 10.369 ( -4.751 -2.482 -2.292) 5.830 12.302 ( 12.886 5.242 -0.163) 13.913 13.621 ( -1.372 -1.974 -1.879) 3.051 14.177 ( -10.624 1.355 2.366) 10.968 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 6.369 2.326 -1.066) 6.864 3.015 ( 2.148 6.349 0.447) 6.718 3.154 ( 12.032 3.317 0.307) 12.485 3.250 ( 8.565 -1.180 3.306) 9.256 3.461 ( -0.503 -1.806 -3.000) 3.537 3.712 ( 5.465 7.167 0.031) 9.013 3.947 ( 13.160 3.881 -0.771) 13.742 4.244 ( 8.577 3.388 0.224) 9.225 4.504 ( 0.068 6.151 0.380) 6.163 4.850 ( 3.735 -1.753 -1.019) 4.250 5.351 ( -4.457 6.172 -0.118) 7.614 5.529 ( -10.982 2.649 -0.330) 11.301 7.852 ( 3.532 4.844 -1.089) 6.093 8.181 ( -4.778 -3.604 1.203) 6.105 9.059 ( 7.202 1.916 0.311) 7.459 9.209 ( 1.555 2.314 0.087) 2.789 9.389 ( 0.432 0.710 -1.111) 1.388 9.649 ( -2.784 0.040 -0.579) 2.844 9.747 ( -0.160 2.194 -1.506) 2.666 9.908 ( -1.134 -8.357 3.583) 9.163 10.345 ( 2.060 3.627 -1.107) 4.316 12.606 ( 15.286 7.636 0.244) 17.089 13.552 ( -2.031 -4.722 -2.378) 5.663 13.973 ( -14.109 -1.021 2.298) 14.331 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 0.000 2.468 -0.610) 2.543 2.628 ( 0.000 4.795 -3.216) 5.774 2.732 ( -0.000 4.633 0.807) 4.703 3.116 ( -0.000 9.759 1.319) 9.848 3.210 ( -0.000 3.419 0.350) 3.437 3.548 ( 0.000 -0.403 -0.342) 0.529 3.738 ( 0.000 4.236 -0.250) 4.243 3.773 ( -0.000 -3.822 1.008) 3.952 4.517 ( 0.000 9.173 -1.690) 9.328 4.862 ( -0.000 -1.889 0.219) 1.902 5.363 ( 0.000 15.699 -0.787) 15.718 5.768 ( 0.000 10.683 -0.744) 10.709 7.712 ( -0.000 6.656 2.448) 7.092 8.368 ( 0.000 -1.964 -1.688) 2.590 8.796 ( -0.000 2.956 0.350) 2.977 9.102 ( 0.000 2.732 -0.167) 2.737 9.370 ( -0.000 -7.666 0.602) 7.689 9.459 ( 0.000 4.245 -1.181) 4.406 9.743 ( -0.000 6.984 4.335) 8.220 10.117 ( 0.000 -4.361 -2.333) 4.946 10.482 ( 0.000 -7.060 -1.780) 7.281 12.032 ( 0.000 1.736 -0.566) 1.825 13.659 ( 0.000 2.040 -1.375) 2.460 14.371 ( -0.000 2.256 2.370) 3.272 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 13.505 1.711 0.069) 13.614 2.695 ( 2.886 4.447 0.579) 5.333 2.834 ( 7.808 2.501 -0.794) 8.237 3.116 ( -3.374 4.129 -0.273) 5.339 3.403 ( 11.619 5.195 0.541) 12.739 3.537 ( -0.059 -0.606 -0.021) 0.609 3.711 ( -0.902 -1.508 -1.326) 2.201 3.862 ( 8.850 0.866 0.339) 8.899 4.575 ( -1.927 6.863 -0.670) 7.160 4.834 ( -0.635 -2.213 -0.767) 2.427 5.477 ( -2.218 11.261 -0.385) 11.483 5.811 ( -4.648 6.202 -0.903) 7.803 7.779 ( 0.879 4.657 0.587) 4.776 8.321 ( -2.870 -1.972 -0.469) 3.514 8.854 ( 3.766 1.953 0.340) 4.256 9.139 ( 1.662 1.880 -0.128) 2.513 9.337 ( 2.782 -3.730 -0.761) 4.715 9.530 ( 4.182 1.780 0.876) 4.629 9.794 ( -1.242 4.147 1.830) 4.700 10.045 ( -4.756 -1.565 -1.125) 5.132 10.390 ( -2.486 -4.714 -1.233) 5.470 12.133 ( 9.677 1.966 -0.314) 9.879 13.652 ( -2.388 0.766 -1.836) 3.108 14.340 ( -6.156 1.112 2.427) 6.710 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 7.020 1.617 -1.034) 7.278 2.870 ( 15.836 2.852 2.445) 16.276 3.020 ( 11.071 0.759 1.192) 11.160 3.124 ( 1.639 1.462 -0.194) 2.205 3.473 ( -2.239 -0.297 -2.085) 3.074 3.691 ( 4.607 4.062 0.585) 6.170 3.720 ( 12.393 -2.035 -2.465) 12.798 4.063 ( 13.258 0.664 0.828) 13.300 4.590 ( -2.673 4.751 0.291) 5.459 4.802 ( -0.097 -2.114 -1.546) 2.621 5.499 ( -5.050 5.736 0.147) 7.644 5.728 ( -9.272 1.604 -1.327) 9.503 7.832 ( 1.930 1.428 -1.844) 3.027 8.242 ( -4.469 -1.010 1.451) 4.806 8.956 ( 6.343 0.895 0.399) 6.418 9.189 ( 2.425 0.971 -0.102) 2.614 9.368 ( 2.804 -0.093 -1.385) 3.129 9.615 ( 4.036 -0.738 -0.303) 4.114 9.802 ( -1.108 2.276 1.294) 2.843 9.921 ( -7.141 -2.571 0.892) 7.642 10.340 ( 0.166 0.043 -0.969) 0.984 12.376 ( 16.062 2.175 0.052) 16.209 13.586 ( -4.627 -0.579 -2.278) 5.190 14.199 ( -11.671 -0.074 2.415) 11.918 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -0.000 1.120 0.962) 1.477 2.720 ( -0.000 4.683 3.257) 5.704 2.769 ( 0.000 0.100 -3.671) 3.673 3.233 ( 0.000 2.033 -3.246) 3.830 3.277 ( -0.000 2.207 3.607) 4.229 3.536 ( 0.000 -0.862 -0.089) 0.867 3.700 ( 0.000 -2.485 -1.266) 2.789 3.789 ( 0.000 1.282 -1.111) 1.696 4.647 ( -0.000 4.540 0.098) 4.541 4.816 ( 0.000 -2.176 -1.305) 2.538 5.588 ( -0.000 6.994 0.168) 6.996 5.891 ( 0.000 2.339 -1.719) 2.902 7.804 ( 0.000 1.609 -0.222) 1.624 8.333 ( 0.000 -0.670 -0.598) 0.898 8.837 ( -0.000 1.059 0.323) 1.107 9.137 ( 0.000 0.890 -0.313) 0.943 9.264 ( -0.000 -3.211 0.280) 3.223 9.531 ( -0.000 2.905 1.979) 3.515 9.825 ( 0.000 -0.119 -0.622) 0.633 10.095 ( 0.000 2.005 -0.661) 2.111 10.364 ( 0.000 -3.645 -0.552) 3.687 12.058 ( 0.000 0.986 -0.292) 1.028 13.680 ( 0.000 0.748 -2.023) 2.157 14.406 ( -0.000 0.330 2.485) 2.507 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 12.574 0.237 0.899) 12.608 2.795 ( 2.613 4.462 4.471) 6.836 2.828 ( 8.595 -1.823 -3.367) 9.409 3.151 ( -3.157 -0.752 -0.857) 3.356 3.456 ( 12.817 -0.913 -0.094) 12.850 3.513 ( -1.766 -0.331 -0.660) 1.914 3.682 ( 0.374 -0.412 -1.469) 1.571 3.870 ( 8.842 -0.301 -0.484) 8.860 4.665 ( -1.764 2.233 1.024) 3.024 4.787 ( -0.616 -1.881 -2.200) 2.960 5.606 ( -2.891 1.376 0.850) 3.313 5.848 ( -5.016 -1.337 -2.536) 5.777 7.806 ( 0.564 -1.868 -1.326) 2.359 8.306 ( -2.830 0.577 0.071) 2.889 8.875 ( 3.667 0.059 0.357) 3.685 9.155 ( 1.761 -0.157 -0.248) 1.786 9.289 ( 4.570 -0.301 -0.712) 4.635 9.574 ( 1.493 1.473 3.049) 3.701 9.804 ( 0.104 -2.625 -1.357) 2.957 10.050 ( -6.747 0.559 0.045) 6.770 10.344 ( -0.451 1.097 -0.532) 1.300 12.156 ( 10.335 0.446 -0.095) 10.345 13.651 ( -3.156 0.029 -2.272) 3.889 14.356 ( -6.362 -0.546 2.494) 6.855 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -0.000 0.231 2.123) 2.136 2.712 ( 0.000 -3.828 -5.444) 6.655 2.834 ( -0.000 4.866 5.576) 7.401 3.153 ( 0.000 -7.844 -5.106) 9.359 3.317 ( -0.000 -0.085 4.509) 4.510 3.539 ( -0.000 1.555 0.332) 1.590 3.671 ( 0.000 -0.331 -2.270) 2.295 3.778 ( 0.000 -1.841 -1.610) 2.445 4.691 ( -0.000 -0.643 1.610) 1.733 4.772 ( 0.000 -1.200 -2.780) 3.028 5.616 ( -0.000 -5.119 1.219) 5.262 5.858 ( 0.000 -3.820 -3.145) 4.948 7.768 ( 0.000 -4.617 -0.603) 4.656 8.340 ( 0.000 1.337 -1.375) 1.918 8.840 ( -0.000 -0.909 0.341) 0.971 9.130 ( 0.000 -1.345 -0.327) 1.384 9.253 ( -0.000 1.978 -0.032) 1.978 9.588 ( -0.000 1.406 4.839) 5.039 9.753 ( 0.000 -6.034 -2.624) 6.580 10.108 ( 0.000 -0.894 -0.484) 1.017 10.383 ( 0.000 5.658 -0.479) 5.679 12.067 ( 0.000 0.073 -0.091) 0.117 13.669 ( 0.000 -0.894 -2.342) 2.507 14.407 ( -0.000 -1.378 2.529) 2.880 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -0.000 0.000 23.791) 23.791 0.671 ( -0.000 0.000 23.791) 23.791 1.619 ( -0.000 0.000 53.245) 53.245 1.985 ( 0.000 -0.000 -14.157) 14.157 1.985 ( 0.000 -0.000 -14.157) 14.157 2.808 ( -0.000 0.000 6.996) 6.996 2.808 ( -0.000 0.000 6.996) 6.996 3.320 ( 0.000 -0.000 -1.541) 1.541 3.320 ( 0.000 -0.000 -1.541) 1.541 3.477 ( 0.000 -0.000 -40.184) 40.184 4.183 ( 0.000 -0.000 -9.137) 9.137 5.568 ( -0.000 0.000 11.227) 11.227 8.399 ( 0.000 -0.000 -0.230) 0.230 8.399 ( 0.000 -0.000 -0.230) 0.230 8.700 ( -0.000 0.000 0.105) 0.105 8.700 ( -0.000 0.000 0.105) 0.105 9.096 ( -0.000 0.000 2.241) 2.241 9.513 ( -0.000 0.000 3.408) 3.408 10.299 ( -0.000 0.000 1.706) 1.706 10.299 ( -0.000 0.000 1.706) 1.706 11.901 ( 0.000 -0.000 -1.465) 1.465 11.901 ( 0.000 -0.000 -1.465) 1.465 12.661 ( -0.000 0.000 0.443) 0.443 15.764 ( -0.000 0.000 2.113) 2.113 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 16.137 9.317 17.400) 25.494 1.139 ( 26.341 15.208 14.019) 33.491 1.754 ( 7.178 4.144 21.866) 23.384 2.050 ( 7.255 4.188 -14.582) 16.817 2.204 ( 18.332 10.584 4.393) 21.619 2.810 ( -0.395 -0.228 7.517) 7.531 2.966 ( 10.605 6.123 5.651) 13.487 3.330 ( 1.024 0.591 -1.580) 1.973 3.361 ( 5.215 3.011 -17.174) 18.199 3.523 ( 11.317 6.534 -20.412) 24.237 4.120 ( -3.111 -1.796 -11.546) 12.092 5.536 ( -4.851 -2.801 13.101) 14.249 7.718 ( -34.211 -19.751 26.818) 47.746 8.424 ( 1.965 1.135 -0.370) 2.299 8.586 ( -1.061 -0.613 -7.155) 7.259 8.715 ( 1.433 0.827 0.208) 1.667 9.092 ( -1.999 -1.154 2.135) 3.144 9.472 ( -0.225 -0.130 2.272) 2.286 10.251 ( -4.086 -2.359 1.949) 5.105 10.937 ( 19.515 11.267 -17.675) 28.639 11.839 ( -5.525 -3.190 -4.323) 7.707 11.910 ( 0.730 0.421 -1.642) 1.846 12.894 ( 20.133 11.624 2.203) 23.352 14.850 ( -55.327 -31.943 33.861) 72.305 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 18.572 10.723 11.484) 24.327 1.640 ( 15.529 8.966 13.545) 22.472 2.099 ( 19.485 11.250 -11.275) 25.167 2.223 ( 10.307 5.951 -14.768) 18.967 2.723 ( 25.477 14.709 13.075) 32.193 2.827 ( 0.483 0.279 8.496) 8.515 3.238 ( 11.651 6.727 4.281) 14.118 3.362 ( 2.235 1.291 -1.511) 2.991 3.538 ( 14.253 8.229 -17.131) 23.756 3.807 ( 10.288 5.940 -2.160) 12.075 4.063 ( 6.136 3.542 -18.825) 20.114 5.424 ( -7.306 -4.218 12.885) 15.401 7.323 ( -8.346 -4.819 19.564) 21.809 8.483 ( 3.241 1.871 -0.671) 3.802 8.552 ( -0.584 -0.337 -12.057) 12.075 8.764 ( 2.873 1.658 0.449) 3.347 9.049 ( -2.281 -1.317 10.124) 10.461 9.490 ( 1.437 0.830 -1.031) 1.954 10.129 ( -7.010 -4.047 2.399) 8.442 10.991 ( -6.329 -3.654 -6.486) 9.771 11.551 ( -18.369 -10.606 -6.446) 22.169 11.925 ( 0.938 0.542 -1.944) 2.226 13.398 ( 19.517 11.268 -0.088) 22.536 14.016 ( -22.532 -13.009 24.602) 35.808 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 15.764 9.101 7.719) 19.771 1.978 ( 13.196 7.619 7.420) 16.948 2.418 ( 9.098 5.253 -12.994) 16.710 2.454 ( 14.596 8.427 -17.291) 24.146 2.878 ( 2.698 1.557 7.945) 8.534 3.341 ( 24.304 14.032 6.612) 28.832 3.427 ( 3.763 2.173 -1.106) 4.484 3.501 ( 10.857 6.268 5.663) 13.757 3.820 ( -1.237 -0.714 -4.993) 5.194 3.901 ( 19.611 11.322 -9.349) 24.498 4.445 ( 23.381 13.499 -8.883) 28.422 5.280 ( -7.239 -4.179 10.427) 13.364 7.310 ( 2.466 1.424 11.568) 11.913 8.506 ( -0.863 -0.498 -13.441) 13.478 8.563 ( 3.947 2.279 -0.957) 4.658 8.842 ( 3.871 2.235 0.690) 4.522 9.053 ( 0.431 0.249 14.429) 14.437 9.530 ( 2.441 1.409 -2.598) 3.833 9.954 ( -8.896 -5.136 2.598) 10.596 10.757 ( -13.195 -7.618 3.786) 15.699 11.112 ( -16.531 -9.544 -8.039) 20.712 11.944 ( 1.125 0.650 -2.012) 2.395 13.582 ( -1.303 -0.753 2.943) 3.305 13.960 ( 9.523 5.498 6.574) 12.812 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 11.067 6.390 4.478) 13.542 2.268 ( 11.608 6.702 1.154) 13.454 2.562 ( 5.629 3.250 -6.917) 9.492 2.708 ( 11.227 6.482 -10.790) 16.867 2.985 ( 5.489 3.169 3.527) 7.253 3.524 ( 4.863 2.808 -0.332) 5.625 3.600 ( 1.390 0.802 -4.813) 5.073 3.745 ( 5.296 3.058 6.576) 8.980 3.963 ( 15.338 8.855 -1.399) 17.766 4.377 ( 22.711 13.112 -1.532) 26.269 4.905 ( 14.405 8.317 -1.868) 16.738 5.200 ( 2.336 1.349 5.015) 5.694 7.432 ( 6.070 3.504 5.311) 8.794 8.458 ( -1.368 -0.790 -8.226) 8.376 8.652 ( 4.022 2.322 -1.021) 4.756 8.936 ( 4.166 2.405 0.769) 4.871 9.135 ( 4.386 2.532 11.673) 12.725 9.590 ( 3.586 2.071 -3.439) 5.383 9.749 ( -9.553 -5.515 2.236) 11.255 10.457 ( -13.189 -7.615 5.233) 16.103 10.810 ( -9.641 -5.567 -5.654) 12.486 11.968 ( 1.362 0.786 -1.643) 2.275 13.569 ( 0.300 0.173 2.040) 2.069 14.184 ( 8.232 4.753 1.073) 9.566 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 6.446 3.721 1.400) 7.573 2.495 ( 8.693 5.019 -3.639) 10.677 2.652 ( 3.314 1.913 -0.270) 3.836 2.923 ( 9.208 5.316 -2.325) 10.884 3.122 ( 6.055 3.496 -1.182) 7.091 3.579 ( -1.027 -0.593 -3.588) 3.779 3.635 ( 4.711 2.720 0.532) 5.465 3.810 ( -0.581 -0.335 5.109) 5.153 4.280 ( 12.371 7.143 -2.020) 14.427 4.798 ( 9.455 5.459 3.676) 11.520 5.055 ( 9.014 5.204 0.166) 10.410 5.475 ( 15.141 8.742 0.015) 17.484 7.586 ( 6.689 3.862 1.329) 7.837 8.407 ( -2.111 -1.219 -2.067) 3.196 8.735 ( 3.503 2.022 -0.814) 4.126 9.027 ( 3.643 2.103 0.641) 4.255 9.288 ( 7.002 4.043 5.761) 9.928 9.544 ( -8.785 -5.072 1.388) 10.239 9.677 ( 4.695 2.710 -3.140) 6.265 10.217 ( -8.693 -5.019 3.399) 10.598 10.619 ( -7.049 -4.070 -1.972) 8.374 11.998 ( 1.520 0.877 -0.943) 1.992 13.597 ( 1.574 0.909 1.609) 2.428 14.328 ( 4.738 2.735 -0.898) 5.544 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 3.136 1.811 -0.748) 3.698 2.647 ( 5.890 3.401 -5.589) 8.803 2.713 ( 1.748 1.009 3.619) 4.144 3.104 ( 6.466 3.733 2.965) 8.033 3.238 ( 4.501 2.599 -3.694) 6.377 3.555 ( -0.674 -0.389 -1.237) 1.462 3.728 ( 3.265 1.885 1.210) 3.960 3.760 ( -3.797 -2.192 2.809) 5.207 4.509 ( 8.242 4.758 -0.579) 9.534 4.843 ( -1.476 -0.852 2.743) 3.229 5.362 ( 13.602 7.853 -0.612) 15.718 5.755 ( 9.012 5.203 1.152) 10.469 7.725 ( 5.185 2.993 0.148) 5.988 8.358 ( -1.956 -1.129 0.458) 2.304 8.802 ( 2.434 1.405 -0.510) 2.856 9.097 ( 2.425 1.400 0.432) 2.833 9.371 ( -6.478 -3.740 0.465) 7.494 9.446 ( 5.882 3.396 0.572) 6.816 9.778 ( 4.145 2.393 -1.255) 4.948 10.087 ( -3.165 -1.828 2.202) 4.267 10.472 ( -5.924 -3.420 -0.298) 6.847 12.030 ( 1.385 0.799 -0.233) 1.616 13.637 ( 1.496 0.864 1.865) 2.542 14.401 ( 2.148 1.240 -1.989) 3.179 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 1.215 0.701 -1.728) 2.226 2.740 ( -0.368 -0.213 5.167) 5.184 2.749 ( 4.518 2.609 -5.580) 7.639 3.206 ( 1.189 0.686 4.870) 5.060 3.304 ( 2.178 1.257 -4.643) 5.280 3.536 ( -0.857 -0.495 0.079) 0.993 3.690 ( -2.192 -1.266 1.698) 3.048 3.780 ( 1.004 0.580 1.574) 1.955 4.649 ( 4.247 2.452 -0.428) 4.922 4.805 ( -2.051 -1.184 1.927) 3.053 5.591 ( 6.312 3.644 -0.832) 7.336 5.877 ( 1.626 0.939 2.397) 3.045 7.801 ( 1.063 0.614 0.634) 1.382 8.329 ( -0.529 -0.305 0.547) 0.820 8.839 ( 0.897 0.518 -0.336) 1.089 9.135 ( 0.760 0.439 0.338) 0.941 9.265 ( -2.774 -1.602 -0.091) 3.205 9.546 ( 3.288 1.898 -2.735) 4.679 9.818 ( -0.989 -0.571 1.669) 2.022 10.091 ( 2.224 1.284 0.465) 2.610 10.361 ( -3.156 -1.822 0.291) 3.656 12.056 ( 0.861 0.497 0.166) 1.008 13.666 ( 0.570 0.329 2.198) 2.295 14.422 ( 0.305 0.176 -2.521) 2.545 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.000 18.377 17.701) 25.515 1.167 ( -0.000 30.064 12.611) 32.602 1.831 ( -0.000 8.949 13.664) 16.333 1.976 ( 0.000 5.883 -13.684) 14.895 2.227 ( -0.000 21.529 8.589) 23.179 2.860 ( -0.000 1.744 6.075) 6.321 2.940 ( -0.000 9.883 7.046) 12.137 3.300 ( 0.000 4.202 -28.351) 28.661 3.315 ( 0.000 0.551 -1.568) 1.662 3.497 ( 0.000 15.245 -12.359) 19.626 4.098 ( 0.000 -4.197 -10.074) 10.914 5.567 ( -0.000 -5.394 14.098) 15.095 7.768 ( -0.000 -40.967 29.284) 50.358 8.411 ( 0.000 1.630 -0.091) 1.632 8.572 ( 0.000 -1.901 -8.069) 8.290 8.722 ( -0.000 2.026 0.055) 2.027 9.077 ( -0.000 -1.492 1.461) 2.088 9.475 ( -0.000 -1.622 2.498) 2.979 10.270 ( -0.000 -4.035 1.568) 4.329 10.940 ( 0.000 28.186 -19.855) 34.477 11.804 ( 0.000 -11.132 -0.587) 11.147 11.894 ( 0.000 0.301 -1.336) 1.369 12.885 ( -0.000 20.943 2.886) 21.141 14.943 ( -0.000 -58.803 26.949) 64.685 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 10.854 20.514 12.899) 26.553 1.564 ( 10.431 18.969 10.715) 24.155 1.981 ( 6.066 14.751 -9.837) 18.739 2.122 ( 8.381 10.479 -14.267) 19.586 2.599 ( 13.356 23.068 16.518) 31.358 2.883 ( -0.995 4.282 6.684) 8.000 3.140 ( 8.055 8.807 4.746) 12.844 3.347 ( 2.521 2.358 -1.456) 3.746 3.379 ( 8.745 9.965 -23.038) 26.580 3.723 ( 8.513 16.798 -4.807) 19.436 4.014 ( -1.125 -1.839 -14.406) 14.567 5.500 ( -4.215 -6.683 14.050) 16.119 7.425 ( -7.905 -16.727 27.669) 33.284 8.456 ( 2.507 2.592 -0.342) 3.622 8.526 ( -0.669 -1.450 -12.345) 12.448 8.756 ( 1.173 3.024 0.249) 3.253 9.080 ( -0.217 -0.013 5.312) 5.316 9.463 ( 0.514 -1.715 1.258) 2.189 10.199 ( -3.505 -4.389 1.928) 5.939 11.044 ( -3.982 3.396 -14.414) 15.335 11.594 ( -7.735 -19.902 -1.392) 21.398 11.912 ( 1.171 0.570 -2.205) 2.561 13.253 ( 14.776 20.327 2.641) 25.269 14.272 ( -21.700 -31.031 22.306) 43.948 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 11.004 20.248 8.905) 24.706 1.895 ( 9.541 12.219 7.780) 17.345 2.253 ( 12.952 10.194 -15.466) 22.603 2.342 ( 7.880 11.978 -16.457) 21.827 2.928 ( -0.101 6.849 7.658) 10.274 3.158 ( 18.720 22.179 11.830) 31.342 3.341 ( 7.343 2.868 0.663) 7.911 3.463 ( 5.528 8.925 2.042) 10.695 3.673 ( 16.725 12.652 -13.680) 25.039 3.828 ( -2.351 -2.047 -4.881) 5.791 4.222 ( 17.815 18.717 -10.381) 27.847 5.370 ( -6.399 -6.689 11.920) 15.092 7.322 ( -0.402 -2.964 19.431) 19.660 8.473 ( -0.299 -1.083 -15.075) 15.116 8.536 ( 3.182 3.980 -1.047) 5.202 8.821 ( 2.449 3.761 0.565) 4.523 9.094 ( -0.750 1.593 10.590) 10.735 9.472 ( 2.623 -2.059 -0.571) 3.384 10.079 ( -7.246 -2.557 2.278) 8.015 10.878 ( -9.989 -6.771 -2.140) 12.256 11.186 ( -12.419 -21.541 -5.114) 25.385 11.935 ( 1.143 1.496 -2.096) 2.817 13.637 ( 5.389 12.411 -0.036) 13.531 13.884 ( -2.496 -8.031 11.565) 14.299 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 6.948 18.325 5.756) 20.425 2.178 ( 9.319 10.691 2.923) 14.481 2.505 ( 7.655 8.791 -8.990) 14.721 2.554 ( 10.563 8.552 -14.499) 19.873 3.023 ( 0.158 9.938 5.885) 11.551 3.468 ( 5.619 2.904 -0.606) 6.353 3.577 ( 4.776 6.696 -1.060) 8.292 3.688 ( 8.452 8.435 3.997) 12.592 3.826 ( 7.919 5.039 -1.418) 9.493 4.120 ( 22.148 14.925 -4.644) 27.108 4.713 ( 19.407 16.021 -4.604) 25.584 5.229 ( -4.837 -5.143 8.542) 11.082 7.390 ( 4.040 2.014 10.564) 11.488 8.435 ( 0.209 -0.603 -12.207) 12.224 8.631 ( 2.933 5.068 -1.180) 5.973 8.909 ( 3.111 4.018 0.764) 5.139 9.142 ( 1.172 2.946 11.748) 12.169 9.509 ( 4.307 -1.645 -2.343) 5.171 9.916 ( -10.720 -0.467 1.772) 10.875 10.588 ( -12.439 -12.038 5.160) 18.063 10.837 ( -6.621 -13.334 -6.976) 16.441 11.973 ( 0.986 3.381 -1.638) 3.884 13.635 ( -5.554 4.016 2.017) 7.144 14.043 ( 12.021 1.220 1.967) 12.241 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 1.938 15.832 2.970) 16.224 2.420 ( 7.426 8.998 -1.169) 11.725 2.656 ( 2.680 8.937 -4.690) 10.443 2.790 ( 10.776 5.578 -5.246) 13.220 3.149 ( 1.061 11.815 2.053) 12.039 3.574 ( 1.625 0.578 -3.218) 3.651 3.601 ( 1.590 2.495 0.658) 3.031 3.831 ( 1.902 4.258 2.877) 5.479 4.123 ( 13.787 7.776 -1.579) 15.907 4.624 ( 19.657 11.570 0.952) 22.829 5.013 ( 2.260 3.172 1.068) 4.039 5.288 ( 14.420 5.719 1.602) 15.596 7.520 ( 5.856 3.693 3.675) 7.838 8.406 ( -0.457 -1.462 -5.499) 5.709 8.724 ( 2.200 5.437 -0.939) 5.940 9.002 ( 3.065 3.866 0.600) 4.970 9.243 ( 4.094 3.651 7.951) 9.660 9.570 ( 4.148 -0.703 -1.881) 4.609 9.734 ( -10.330 1.499 -0.210) 10.440 10.305 ( -9.086 -9.391 3.413) 13.505 10.635 ( -3.688 -9.909 -2.365) 10.834 12.025 ( 0.136 5.873 -0.977) 5.956 13.611 ( -1.755 2.522 1.461) 3.402 14.219 ( 8.632 -1.075 -0.527) 8.715 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -2.288 13.780 0.726) 13.987 2.595 ( 4.818 6.940 -3.483) 9.139 2.760 ( -0.072 8.967 -0.103) 8.968 2.987 ( 8.286 2.461 0.345) 8.650 3.288 ( 0.902 12.539 -0.887) 12.602 3.553 ( -0.586 -0.789 -1.485) 1.781 3.684 ( 2.773 0.978 2.278) 3.719 3.863 ( -3.506 5.712 0.487) 6.720 4.390 ( 10.845 4.581 -0.520) 11.784 4.850 ( 0.896 -0.578 3.103) 3.281 5.193 ( 14.284 7.705 -0.444) 16.236 5.605 ( 13.799 4.038 0.724) 14.396 7.664 ( 5.870 3.891 0.542) 7.064 8.365 ( -1.134 -2.691 -0.999) 3.086 8.803 ( 1.149 5.119 -0.625) 5.283 9.084 ( 2.160 3.327 0.336) 3.981 9.352 ( 3.319 0.096 3.121) 4.557 9.539 ( -7.435 4.440 1.084) 8.727 9.711 ( 4.952 1.787 -3.135) 6.128 10.118 ( -4.823 -6.131 2.060) 8.068 10.492 ( -2.909 -7.785 0.067) 8.311 12.083 ( -1.363 8.166 -0.315) 8.285 13.621 ( 0.662 0.234 1.678) 1.819 14.317 ( 5.933 -3.230 -1.805) 6.992 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -4.826 12.242 -0.401) 13.165 2.711 ( 3.067 5.368 -4.193) 7.470 2.823 ( -2.952 8.344 2.551) 9.211 3.112 ( 5.384 -0.894 1.076) 5.563 3.407 ( -1.181 11.802 -0.776) 11.887 3.537 ( -0.860 -0.323 0.078) 0.922 3.700 ( -0.604 -1.702 2.117) 2.783 3.863 ( -4.201 8.358 0.037) 9.355 4.573 ( 7.124 1.957 -0.050) 7.388 4.825 ( -1.587 -1.736 1.837) 2.984 5.477 ( 10.970 3.793 -0.285) 11.610 5.803 ( 7.419 -1.005 1.464) 7.629 7.779 ( 3.297 2.527 0.482) 4.183 8.320 ( -0.345 -3.020 -0.065) 3.040 8.856 ( -0.222 4.228 -0.415) 4.254 9.138 ( 0.749 2.431 0.231) 2.554 9.330 ( -4.092 0.098 1.086) 4.235 9.537 ( 0.006 4.910 -1.316) 5.084 9.802 ( 3.230 0.537 -0.680) 3.344 10.038 ( 1.191 -4.262 1.041) 4.546 10.384 ( -2.601 -4.566 0.618) 5.291 12.132 ( -3.171 9.422 0.086) 9.942 13.639 ( 1.788 -1.795 2.076) 3.275 14.356 ( 4.081 -4.769 -2.433) 6.732 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -0.000 21.727 11.706) 24.680 1.712 ( -0.000 20.677 9.301) 22.672 2.072 ( 0.000 8.782 -10.687) 13.833 2.112 ( 0.000 18.563 -20.616) 27.742 2.795 ( -0.000 29.796 18.838) 35.252 2.931 ( -0.000 3.241 3.690) 4.911 3.204 ( -0.000 13.098 6.669) 14.698 3.332 ( 0.000 1.932 -0.921) 2.140 3.373 ( 0.000 15.015 -21.080) 25.881 3.832 ( 0.000 16.414 -1.699) 16.502 3.984 ( 0.000 3.969 -15.344) 15.849 5.493 ( -0.000 -8.082 13.341) 15.598 7.384 ( -0.000 -14.167 28.795) 32.091 8.460 ( -0.000 3.343 0.175) 3.347 8.488 ( 0.000 -1.744 -14.236) 14.343 8.778 ( -0.000 3.567 -0.041) 3.567 9.103 ( -0.000 2.837 4.335) 5.181 9.447 ( -0.000 -2.402 2.991) 3.836 10.159 ( -0.000 -7.901 1.329) 8.012 11.083 ( 0.000 0.480 -17.359) 17.366 11.454 ( -0.000 -24.025 2.751) 24.182 11.902 ( 0.000 0.990 -1.104) 1.482 13.329 ( -0.000 18.347 5.231) 19.078 14.191 ( -0.000 -25.572 13.069) 28.718 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 9.968 20.616 8.672) 24.487 1.947 ( 3.475 17.023 6.876) 18.685 2.175 ( 5.102 11.183 -12.355) 17.428 2.301 ( 6.830 13.418 -19.883) 24.940 2.996 ( 2.312 6.342 3.539) 7.622 3.203 ( 8.180 26.341 13.175) 30.567 3.321 ( 0.416 7.901 3.141) 8.513 3.444 ( 6.788 8.412 2.514) 11.098 3.570 ( 8.290 17.110 -12.635) 22.828 3.848 ( -2.668 -0.593 -6.602) 7.146 4.197 ( 7.877 25.102 -8.094) 27.526 5.408 ( -3.565 -8.088 10.880) 14.017 7.339 ( -0.424 -4.554 23.342) 23.786 8.437 ( -0.423 -0.779 -15.692) 15.717 8.523 ( 2.798 4.230 -0.032) 5.072 8.828 ( 1.488 4.255 0.110) 4.509 9.148 ( -0.204 3.919 5.936) 7.116 9.428 ( 0.066 -2.362 2.918) 3.755 10.089 ( 0.542 -7.642 1.668) 7.841 10.964 ( -7.252 -4.723 -10.736) 13.790 11.127 ( -9.060 -25.617 1.298) 27.203 11.923 ( 1.342 1.622 -1.459) 2.562 13.582 ( 10.894 8.942 4.756) 14.874 13.962 ( -9.028 -5.684 5.094) 11.822 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 8.419 15.642 5.420) 18.572 2.211 ( 6.800 19.515 3.992) 21.048 2.387 ( 10.216 9.727 -10.884) 17.817 2.502 ( 6.964 10.846 -13.002) 18.309 3.132 ( 2.584 10.501 3.665) 11.419 3.403 ( 4.194 3.480 0.860) 5.517 3.569 ( 5.827 11.938 1.865) 13.414 3.658 ( 6.997 7.885 3.531) 11.117 3.792 ( 1.317 5.473 -3.735) 6.756 3.961 ( 14.302 21.602 -4.376) 26.275 4.602 ( 13.235 21.886 -4.020) 25.890 5.275 ( -5.253 -7.000 7.470) 11.507 7.382 ( 2.090 1.212 14.476) 14.677 8.400 ( 0.182 0.237 -13.036) 13.040 8.627 ( 3.730 5.561 -0.575) 6.721 8.906 ( 2.393 4.533 0.474) 5.147 9.196 ( -0.439 4.237 8.022) 9.083 9.430 ( 2.331 -1.374 0.190) 2.712 10.023 ( -2.367 -4.579 1.699) 5.427 10.676 ( -13.182 -16.274 3.695) 21.267 10.787 ( -5.991 -12.586 -8.217) 16.180 11.976 ( 2.319 3.650 -1.327) 4.523 13.791 ( -0.213 -3.698 3.099) 4.829 13.866 ( 3.658 9.157 0.967) 9.908 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 6.272 11.758 2.521) 13.562 2.506 ( 2.633 19.822 0.290) 19.998 2.656 ( 12.080 8.784 -5.107) 15.785 2.686 ( 4.925 11.186 -6.662) 13.920 3.283 ( 0.068 13.410 3.770) 13.930 3.516 ( 5.488 1.767 -0.348) 5.776 3.617 ( -1.242 -0.097 -1.441) 1.905 3.839 ( 4.644 7.644 1.480) 9.065 3.994 ( 10.099 10.333 -2.135) 14.606 4.436 ( 17.365 17.283 0.541) 24.506 5.001 ( 9.872 14.257 -2.030) 17.460 5.162 ( 0.667 -4.074 4.579) 6.165 7.483 ( 4.087 3.856 6.285) 8.431 8.382 ( 0.075 -0.761 -7.109) 7.150 8.745 ( 2.919 6.820 -0.727) 7.454 8.994 ( 2.766 4.256 0.529) 5.103 9.257 ( 0.941 4.174 6.789) 8.025 9.485 ( 4.656 0.891 -1.385) 4.939 9.909 ( -7.927 -1.615 0.353) 8.098 10.356 ( -8.318 -11.844 2.587) 14.703 10.574 ( -3.976 -11.468 -3.172) 12.545 12.067 ( 2.562 6.826 -0.832) 7.338 13.717 ( -5.956 2.924 1.232) 6.748 14.040 ( 9.299 -1.418 -0.027) 9.407 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 3.722 9.650 1.293) 10.423 2.695 ( -0.740 16.745 -1.430) 16.822 2.831 ( 3.395 9.397 -5.420) 11.367 2.925 ( 5.895 11.734 1.563) 13.225 3.405 ( -0.329 10.708 2.253) 10.948 3.558 ( -0.382 0.207 -2.265) 2.306 3.656 ( 3.398 2.874 2.320) 5.019 3.966 ( 0.547 9.120 -0.786) 9.170 4.251 ( 10.608 6.075 -0.822) 12.252 4.800 ( 8.168 5.115 2.155) 9.876 5.084 ( 4.383 4.966 0.166) 6.626 5.397 ( 14.694 4.101 0.585) 15.267 7.615 ( 5.158 4.935 1.688) 7.336 8.347 ( -0.837 -3.059 -2.413) 3.985 8.848 ( 1.156 7.376 -0.509) 7.484 9.082 ( 2.585 3.927 0.059) 4.701 9.327 ( 1.793 2.174 3.861) 4.779 9.594 ( 5.707 3.102 -0.592) 6.522 9.753 ( -8.454 0.249 -0.768) 8.492 10.156 ( -6.694 -5.464 -0.035) 8.641 10.426 ( -0.287 -10.693 0.808) 10.728 12.185 ( 1.244 10.585 -0.326) 10.663 13.655 ( -4.023 1.007 1.469) 4.400 14.146 ( 7.798 -5.752 -1.432) 9.795 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 0.838 7.441 0.835) 7.535 2.807 ( -4.430 16.402 -1.482) 17.054 2.955 ( 1.195 9.510 -3.632) 10.250 3.075 ( 0.243 7.849 2.324) 8.189 3.472 ( 0.213 1.034 2.407) 2.628 3.590 ( 1.365 7.437 -2.428) 7.941 3.724 ( -1.239 5.142 2.788) 5.979 4.035 ( -3.612 11.217 -1.262) 11.852 4.456 ( 8.700 2.536 0.007) 9.062 4.838 ( -1.392 -1.044 1.854) 2.543 5.314 ( 12.040 4.364 -0.059) 12.807 5.628 ( 11.042 -2.129 0.743) 11.270 7.749 ( 4.386 4.636 0.659) 6.416 8.289 ( -0.810 -4.603 -0.934) 4.766 8.921 ( -0.770 6.920 -0.400) 6.974 9.151 ( 1.299 3.364 -0.055) 3.607 9.365 ( 0.273 0.606 2.217) 2.315 9.645 ( -5.661 3.747 0.641) 6.819 9.722 ( 6.040 0.968 -1.619) 6.328 10.011 ( -4.262 -4.779 -1.327) 6.540 10.356 ( 0.603 -5.337 1.703) 5.635 12.301 ( -1.940 13.873 -0.056) 14.008 13.609 ( -1.088 -2.335 2.007) 3.265 14.192 ( 6.569 -8.524 -2.252) 10.994 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -0.000 19.065 5.692) 19.896 2.103 ( -0.000 16.741 3.952) 17.201 2.209 ( 0.000 8.554 -3.689) 9.315 2.330 ( 0.000 14.647 -21.883) 26.333 3.009 ( 0.000 3.826 -0.696) 3.888 3.392 ( -0.000 4.438 0.582) 4.476 3.419 ( -0.000 19.429 7.881) 20.966 3.494 ( -0.000 14.553 5.675) 15.620 3.679 ( 0.000 22.444 -3.962) 22.791 3.876 ( 0.000 6.556 -7.535) 9.988 4.385 ( 0.000 27.651 -4.405) 28.000 5.379 ( -0.000 -7.848 7.866) 11.111 7.358 ( -0.000 -1.720 21.100) 21.170 8.404 ( 0.000 0.289 -14.836) 14.839 8.539 ( -0.000 4.475 0.465) 4.499 8.857 ( -0.000 4.542 -0.173) 4.545 9.203 ( -0.000 5.208 1.876) 5.536 9.424 ( -0.000 -1.544 7.066) 7.232 9.982 ( -0.000 -10.539 0.983) 10.585 10.920 ( 0.000 -13.564 -10.013) 16.860 11.000 ( 0.000 -17.325 0.698) 17.339 11.923 ( 0.000 1.586 -0.807) 1.780 13.550 ( -0.000 2.546 4.816) 5.448 14.037 ( -0.000 3.690 1.530) 3.994 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 9.559 15.849 2.309) 18.652 2.259 ( 3.128 12.361 -3.359) 13.186 2.374 ( 6.426 12.565 1.886) 14.238 2.467 ( 4.186 12.484 -12.286) 18.009 3.108 ( 7.148 4.979 -2.010) 8.940 3.436 ( -0.463 6.369 2.310) 6.790 3.580 ( 3.807 3.709 -1.186) 5.445 3.659 ( 2.705 10.631 5.340) 12.200 3.866 ( -0.005 13.138 -3.490) 13.593 4.060 ( 3.859 28.530 -0.012) 28.790 4.678 ( 4.673 24.283 -1.637) 24.782 5.296 ( -3.169 -5.737 3.900) 7.627 7.404 ( 0.847 1.935 14.242) 14.398 8.382 ( -0.208 1.326 -11.240) 11.320 8.615 ( 3.304 5.012 0.323) 6.011 8.917 ( 1.636 4.709 -0.025) 4.985 9.255 ( 0.095 4.786 0.299) 4.797 9.422 ( -0.973 0.479 6.947) 7.032 9.921 ( 4.200 -10.093 1.311) 11.010 10.671 ( -6.865 -20.257 -0.858) 21.406 10.806 ( -7.537 -7.308 -6.034) 12.109 11.962 ( 2.619 2.792 -0.763) 3.903 13.633 ( 7.003 -1.312 2.098) 7.427 14.049 ( -5.555 8.399 1.234) 10.145 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 5.395 12.405 0.156) 13.528 2.520 ( 13.145 9.461 -3.535) 16.577 2.627 ( 5.412 17.829 2.250) 18.768 2.653 ( 8.267 8.751 -5.188) 13.108 3.319 ( 10.119 7.321 -1.606) 12.592 3.492 ( -0.481 4.651 3.067) 5.591 3.620 ( 0.249 -0.243 -1.679) 1.715 3.826 ( 5.782 7.370 3.178) 9.892 4.005 ( 2.170 13.861 -3.552) 14.472 4.429 ( 7.411 24.001 1.613) 25.171 4.981 ( 7.955 14.599 0.567) 16.635 5.194 ( -5.212 -0.047 0.315) 5.222 7.485 ( 2.290 4.518 6.899) 8.559 8.368 ( -0.524 0.243 -5.942) 5.970 8.740 ( 4.822 5.862 -0.018) 7.591 8.996 ( 2.171 4.443 0.301) 4.954 9.300 ( 0.274 3.703 0.580) 3.759 9.453 ( 1.299 3.641 3.470) 5.195 9.906 ( 2.965 -7.879 0.827) 8.459 10.366 ( -7.471 -13.878 1.011) 15.794 10.583 ( -8.671 -7.731 -4.330) 12.398 12.065 ( 4.719 5.699 -0.524) 7.418 13.727 ( 5.413 -3.196 -0.151) 6.288 14.029 ( -5.465 6.551 1.519) 8.666 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 5.169 10.882 0.721) 12.069 2.731 ( 5.188 6.814 -2.405) 8.896 2.874 ( 6.182 10.783 -1.150) 12.483 2.951 ( 10.029 17.244 0.057) 19.949 3.503 ( -0.695 4.768 2.234) 5.311 3.526 ( 3.103 -0.438 -0.856) 3.248 3.649 ( 3.616 6.780 -0.201) 7.686 4.002 ( 5.110 8.234 0.351) 9.697 4.184 ( 5.546 9.875 -1.151) 11.384 4.743 ( 7.062 12.246 1.010) 14.172 5.106 ( 0.170 0.155 0.448) 0.503 5.261 ( 5.950 10.871 -0.236) 12.395 7.597 ( 3.688 5.965 2.178) 7.344 8.332 ( -1.452 -2.533 -2.021) 3.551 8.879 ( 4.017 6.841 -0.134) 7.935 9.076 ( 2.339 3.949 0.141) 4.591 9.340 ( 0.622 2.425 0.952) 2.678 9.544 ( 3.428 4.668 0.823) 5.849 9.835 ( -3.439 -5.547 -0.343) 6.535 10.209 ( -1.123 -3.986 1.308) 4.343 10.353 ( -7.004 -9.830 -1.689) 12.187 12.226 ( 5.500 9.515 -0.197) 10.993 13.735 ( -1.579 -1.750 -0.050) 2.357 14.009 ( -0.102 -1.321 0.343) 1.369 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 0.742 9.145 1.848) 9.359 2.875 ( 6.383 4.855 -2.334) 8.353 3.049 ( 1.033 12.830 -0.517) 12.882 3.213 ( 1.098 13.417 -0.784) 13.485 3.493 ( -2.146 0.132 3.016) 3.703 3.572 ( 4.533 2.217 -1.580) 5.288 3.822 ( 2.757 12.131 0.719) 12.461 4.149 ( 2.268 8.837 -0.389) 9.131 4.363 ( 6.236 6.054 -0.444) 8.703 4.863 ( -0.144 2.015 0.975) 2.243 5.198 ( 6.368 5.647 -0.042) 8.512 5.436 ( 8.205 -0.421 0.231) 8.219 7.729 ( 4.292 6.321 0.373) 7.649 8.263 ( -1.964 -4.858 -0.597) 5.273 8.996 ( 1.137 7.544 -0.135) 7.630 9.150 ( 2.361 3.066 -0.201) 3.875 9.370 ( 0.504 1.243 1.391) 1.933 9.634 ( 3.346 0.512 -1.536) 3.718 9.736 ( -2.614 -1.544 1.904) 3.583 10.100 ( -9.851 -2.567 -3.565) 10.786 10.267 ( 5.087 -3.330 2.730) 6.665 12.424 ( 4.061 13.658 -0.074) 14.249 13.655 ( -5.295 -1.804 1.437) 5.775 13.995 ( 4.163 -8.701 -1.500) 9.762 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 0.000 10.976 -3.566) 11.541 2.358 ( 0.000 10.858 -10.017) 14.773 2.396 ( -0.000 10.189 7.152) 12.449 2.578 ( -0.000 16.053 -0.154) 16.053 3.070 ( 0.000 3.649 -3.731) 5.219 3.506 ( -0.000 6.432 1.210) 6.545 3.564 ( 0.000 0.920 -1.300) 1.593 3.744 ( -0.000 7.188 5.847) 9.266 4.004 ( 0.000 15.647 -4.964) 16.416 4.329 ( -0.000 30.137 2.751) 30.263 4.862 ( -0.000 18.949 1.019) 18.976 5.295 ( 0.000 0.227 -0.548) 0.594 7.451 ( -0.000 3.714 10.280) 10.930 8.381 ( 0.000 1.950 -7.402) 7.655 8.633 ( -0.000 4.804 0.643) 4.847 8.948 ( 0.000 4.732 -0.297) 4.742 9.291 ( 0.000 4.237 -4.206) 5.970 9.476 ( -0.000 3.230 10.335) 10.828 9.768 ( -0.000 -11.502 0.591) 11.517 10.541 ( 0.000 -17.241 -2.400) 17.408 10.788 ( 0.000 -8.093 -4.650) 9.333 11.955 ( 0.000 1.987 -0.516) 2.053 13.580 ( -0.000 1.085 0.873) 1.393 14.178 ( -0.000 7.512 1.506) 7.661 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 11.633 7.924 -2.942) 14.379 2.454 ( 2.971 9.687 -5.917) 11.733 2.584 ( 7.459 8.923 3.967) 12.288 2.742 ( 0.943 14.855 2.290) 15.060 3.186 ( 9.465 4.647 -3.005) 10.964 3.548 ( -0.689 1.971 0.709) 2.205 3.607 ( 2.384 3.719 -0.544) 4.451 3.820 ( 2.326 3.863 4.263) 6.205 4.138 ( -0.882 15.125 -3.655) 15.585 4.616 ( 0.831 24.450 2.088) 24.553 5.007 ( 1.794 6.146 1.440) 6.562 5.324 ( -2.899 12.182 -2.530) 12.775 7.521 ( 0.939 5.578 5.451) 7.856 8.377 ( -0.982 0.755 -3.336) 3.559 8.714 ( 3.755 4.772 0.528) 6.096 9.007 ( 1.599 4.463 -0.123) 4.742 9.323 ( 0.168 3.714 -4.205) 5.613 9.518 ( -1.423 5.419 6.841) 8.843 9.723 ( 6.350 -10.044 1.299) 11.954 10.339 ( -4.883 -13.317 -1.686) 14.284 10.642 ( -6.520 -7.192 -3.513) 10.324 12.021 ( 5.039 3.307 -0.360) 6.038 13.624 ( 3.282 0.145 -0.452) 3.316 14.203 ( -5.275 6.176 1.861) 8.333 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 6.419 7.639 -3.232) 10.488 2.690 ( 13.379 7.805 0.318) 15.492 2.803 ( 7.684 7.475 2.938) 11.115 2.931 ( 7.418 11.887 -0.450) 14.019 3.418 ( 10.115 4.620 -1.743) 11.256 3.547 ( -0.149 -0.044 1.225) 1.235 3.665 ( 0.804 4.692 -0.584) 4.796 3.957 ( 7.912 4.925 1.857) 9.503 4.253 ( -0.489 12.207 -1.385) 12.295 4.806 ( 0.515 10.244 0.335) 10.263 5.085 ( 2.072 6.168 -0.153) 6.509 5.402 ( -4.080 14.497 -0.938) 15.089 7.615 ( 2.114 6.727 1.837) 7.287 8.340 ( -2.287 -1.902 -0.664) 3.048 8.846 ( 5.925 4.716 0.292) 7.578 9.081 ( 2.018 4.127 0.171) 4.597 9.348 ( 0.369 2.206 -2.709) 3.513 9.582 ( 0.021 7.012 2.998) 7.626 9.750 ( 5.433 -7.331 0.091) 9.125 10.152 ( -2.617 -9.001 0.995) 9.426 10.438 ( -8.934 -5.308 -2.834) 10.772 12.184 ( 8.530 6.424 -0.108) 10.679 13.665 ( 2.892 -2.778 -1.411) 4.251 14.135 ( -8.746 3.616 1.984) 9.670 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.000 5.468 -2.711) 6.103 2.498 ( 0.000 7.721 -5.539) 9.502 2.614 ( -0.000 7.970 5.049) 9.435 2.888 ( -0.000 13.876 3.149) 14.229 3.132 ( 0.000 4.270 -2.253) 4.828 3.556 ( 0.000 -0.542 -0.337) 0.638 3.635 ( -0.000 6.083 0.397) 6.096 3.826 ( -0.000 -0.424 2.608) 2.643 4.285 ( 0.000 14.028 -2.591) 14.265 4.816 ( -0.000 13.399 1.211) 13.454 5.058 ( -0.000 9.299 -0.241) 9.302 5.491 ( 0.000 16.448 -1.880) 16.555 7.583 ( -0.000 6.622 3.439) 7.461 8.388 ( 0.000 -0.018 -1.341) 1.341 8.725 ( -0.000 4.243 0.631) 4.290 9.034 ( 0.000 4.092 -0.354) 4.107 9.358 ( 0.000 5.078 -4.334) 6.676 9.552 ( 0.000 -10.525 0.262) 10.528 9.616 ( -0.000 6.546 6.911) 9.519 10.258 ( 0.000 -10.610 -2.797) 10.973 10.621 ( 0.000 -7.546 -2.325) 7.896 11.993 ( 0.000 2.061 -0.298) 2.082 13.613 ( 0.000 2.162 -0.876) 2.332 14.308 ( -0.000 4.847 2.072) 5.272 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 13.206 4.386 -0.779) 13.937 2.588 ( 3.297 6.611 -1.617) 7.563 2.752 ( 7.095 5.934 2.257) 9.521 2.988 ( -1.418 9.227 0.208) 9.337 3.285 ( 10.773 6.380 0.095) 12.521 3.547 ( -0.405 -0.596 0.318) 0.788 3.695 ( 0.064 3.323 -0.977) 3.465 3.860 ( 6.043 -0.213 1.306) 6.186 4.392 ( -1.613 11.644 -1.216) 11.818 4.863 ( -0.864 0.512 -0.890) 1.342 5.192 ( -0.480 16.227 -0.215) 16.236 5.611 ( -3.480 13.935 -0.962) 14.395 7.662 ( 0.790 6.938 1.473) 7.137 8.361 ( -2.020 -1.748 -0.246) 2.683 8.799 ( 3.893 3.631 0.514) 5.348 9.086 ( 1.683 3.493 -0.178) 3.881 9.371 ( -1.487 1.779 -2.717) 3.572 9.545 ( 7.953 -4.753 -0.665) 9.289 9.685 ( -0.991 6.177 4.714) 7.834 10.131 ( -3.578 -7.433 -1.818) 8.447 10.498 ( -5.093 -6.362 -1.662) 8.317 12.083 ( 7.728 3.006 -0.163) 8.294 13.631 ( -0.065 0.859 -1.497) 1.727 14.304 ( -5.744 3.324 2.236) 7.003 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -0.000 3.032 -0.035) 3.032 2.623 ( -0.000 6.070 1.631) 6.286 2.730 ( 0.000 3.239 -1.426) 3.539 3.117 ( 0.000 8.685 -0.997) 8.742 3.218 ( -0.000 4.379 2.143) 4.875 3.549 ( -0.000 -0.369 0.577) 0.685 3.735 ( 0.000 4.005 -0.729) 4.071 3.773 ( 0.000 -4.441 -1.006) 4.554 4.509 ( 0.000 9.517 -0.607) 9.536 4.857 ( 0.000 -2.029 -1.525) 2.538 5.360 ( -0.000 15.706 -0.062) 15.706 5.762 ( 0.000 10.677 -1.043) 10.727 7.723 ( -0.000 6.137 0.931) 6.208 8.361 ( 0.000 -1.937 -0.612) 2.032 8.799 ( -0.000 2.894 0.479) 2.933 9.100 ( 0.000 2.755 -0.347) 2.777 9.372 ( 0.000 -7.634 0.086) 7.635 9.452 ( 0.000 5.370 -0.968) 5.457 9.766 ( -0.000 5.830 2.675) 6.414 10.102 ( 0.000 -4.071 -2.409) 4.730 10.473 ( 0.000 -6.797 -0.769) 6.840 12.030 ( 0.000 1.713 -0.183) 1.723 13.649 ( 0.000 1.875 -1.736) 2.555 14.386 ( -0.000 2.316 2.371) 3.314 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.000 0.000 20.918) 20.918 0.818 ( -0.000 0.000 20.918) 20.918 1.892 ( 0.000 -0.000 -14.051) 14.051 1.892 ( 0.000 -0.000 -14.051) 14.051 1.922 ( -0.000 0.000 39.582) 39.582 2.850 ( -0.000 0.000 5.953) 5.953 2.850 ( -0.000 0.000 5.953) 5.953 3.184 ( 0.000 -0.000 -48.714) 48.714 3.309 ( 0.000 -0.000 -1.634) 1.634 3.309 ( 0.000 -0.000 -1.634) 1.634 4.135 ( 0.000 -0.000 -5.228) 5.228 5.653 ( -0.000 0.000 14.040) 14.040 8.398 ( 0.000 -0.000 -0.188) 0.188 8.398 ( 0.000 -0.000 -0.188) 0.188 8.701 ( -0.000 0.000 0.082) 0.082 8.701 ( -0.000 0.000 0.082) 0.082 9.122 ( -0.000 0.000 5.782) 5.782 9.521 ( 0.000 -0.000 -0.550) 0.550 10.309 ( -0.000 0.000 1.488) 1.488 10.309 ( -0.000 0.000 1.488) 1.488 11.892 ( 0.000 -0.000 -1.282) 1.282 11.892 ( 0.000 -0.000 -1.282) 1.282 12.663 ( -0.000 0.000 0.170) 0.170 15.777 ( -0.000 0.000 1.652) 1.652 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 14.313 8.264 15.957) 22.974 1.221 ( 24.436 14.108 11.140) 30.336 1.809 ( 2.460 1.420 -2.596) 3.847 1.955 ( 7.159 4.133 -14.073) 16.321 2.290 ( 18.892 10.907 19.833) 29.483 2.856 ( -0.056 -0.033 6.359) 6.359 2.998 ( 10.027 5.789 3.245) 12.024 3.165 ( 8.438 4.872 -38.071) 39.298 3.319 ( 1.020 0.589 -1.724) 2.088 3.451 ( 12.587 7.267 -4.684) 15.270 4.061 ( -4.857 -2.804 -6.427) 8.530 5.628 ( -4.796 -2.769 14.127) 15.174 7.905 ( -32.179 -18.579 30.018) 47.767 8.422 ( 1.888 1.090 -0.482) 2.232 8.532 ( -2.867 -1.655 -9.865) 10.406 8.716 ( 1.491 0.861 0.273) 1.743 9.100 ( -0.737 -0.425 0.633) 1.060 9.486 ( -0.638 -0.368 1.738) 1.887 10.264 ( -3.950 -2.281 1.811) 4.908 10.833 ( 19.169 11.067 -14.182) 26.288 11.816 ( -6.925 -3.998 -2.817) 8.478 11.900 ( 0.631 0.364 -1.527) 1.692 12.906 ( 20.202 11.664 1.539) 23.378 15.023 ( -50.626 -29.229 19.881) 61.746 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 17.399 10.045 11.011) 22.910 1.710 ( 15.319 8.844 8.482) 19.617 2.009 ( 15.985 9.229 -15.664) 24.208 2.129 ( 10.341 5.970 -13.842) 18.280 2.821 ( 24.347 14.057 16.350) 32.522 2.878 ( 0.807 0.466 7.100) 7.161 3.249 ( 12.285 7.093 -2.400) 14.387 3.351 ( 2.299 1.327 -1.769) 3.190 3.412 ( 17.408 10.051 -19.183) 27.786 3.803 ( 12.708 7.337 0.496) 14.682 3.957 ( 3.984 2.300 -13.025) 13.814 5.511 ( -7.849 -4.532 12.840) 15.716 7.483 ( -11.847 -6.840 28.211) 31.353 8.459 ( -1.430 -0.826 -16.312) 16.395 8.478 ( 3.160 1.824 -0.852) 3.747 8.768 ( 2.941 1.698 0.539) 3.438 9.098 ( 0.127 0.073 5.105) 5.107 9.492 ( 0.690 0.398 1.231) 1.466 10.144 ( -6.898 -3.983 2.161) 8.253 10.945 ( -2.908 -1.679 -6.870) 7.647 11.514 ( -18.748 -10.824 -4.811) 22.176 11.913 ( 0.871 0.503 -1.752) 2.020 13.396 ( 18.815 10.863 -0.513) 21.732 14.151 ( -25.654 -14.811 16.772) 34.041 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 14.858 8.578 7.891) 18.884 2.016 ( 11.926 6.885 5.028) 14.660 2.334 ( 9.948 5.743 -12.649) 17.086 2.345 ( 15.654 9.038 -15.537) 23.835 2.927 ( 2.293 1.324 7.030) 7.512 3.386 ( 19.995 11.544 6.976) 24.119 3.418 ( 3.964 2.289 -1.515) 4.821 3.527 ( 11.982 6.918 2.201) 14.010 3.782 ( 5.311 3.066 -7.260) 9.503 3.842 ( 16.719 9.653 -7.052) 20.554 4.398 ( 24.747 14.287 -5.438) 29.088 5.349 ( -8.146 -4.703 10.081) 13.788 7.407 ( -0.832 -0.480 16.618) 16.646 8.408 ( 0.244 0.141 -15.743) 15.746 8.556 ( 3.914 2.260 -1.096) 4.650 8.847 ( 3.909 2.257 0.727) 4.571 9.131 ( 1.418 0.819 9.554) 9.693 9.518 ( 1.683 0.972 -1.334) 2.357 9.969 ( -8.907 -5.142 2.105) 10.498 10.779 ( -11.000 -6.351 3.448) 13.162 11.063 ( -17.041 -9.839 -6.534) 20.734 11.932 ( 1.161 0.670 -1.623) 2.105 13.593 ( -0.445 -0.257 0.562) 0.762 13.999 ( 6.523 3.766 5.289) 9.204 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 10.100 5.831 5.158) 12.752 2.276 ( 10.318 5.957 1.914) 12.066 2.510 ( 7.661 4.423 -8.849) 12.512 2.643 ( 13.362 7.714 -8.731) 17.728 3.012 ( 4.072 2.351 4.668) 6.625 3.520 ( 5.162 2.980 -0.831) 6.018 3.573 ( 0.777 0.449 -3.158) 3.283 3.775 ( 5.882 3.396 2.237) 7.150 3.960 ( 14.441 8.338 0.905) 16.700 4.364 ( 24.597 14.201 -2.543) 28.516 4.890 ( 16.436 9.489 -2.585) 19.154 5.241 ( -0.116 -0.067 6.667) 6.668 7.473 ( 3.903 2.254 5.903) 7.427 8.398 ( 0.895 0.517 -8.828) 8.888 8.645 ( 4.065 2.347 -1.065) 4.813 8.941 ( 4.150 2.396 0.724) 4.846 9.206 ( 3.467 2.001 9.524) 10.331 9.567 ( 3.307 1.909 -4.080) 5.589 9.761 ( -9.698 -5.599 1.502) 11.299 10.489 ( -13.713 -7.917 4.813) 16.550 10.780 ( -8.466 -4.888 -3.339) 10.330 11.959 ( 1.494 0.862 -1.077) 2.033 13.579 ( 0.242 0.139 1.072) 1.108 14.188 ( 7.533 4.349 0.159) 8.700 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 5.570 3.216 2.187) 6.793 2.481 ( 7.655 4.419 -0.230) 8.842 2.641 ( 5.198 3.001 -3.053) 6.734 2.907 ( 11.023 6.364 -2.672) 13.006 3.121 ( 4.780 2.760 0.835) 5.583 3.561 ( -0.582 -0.336 -1.759) 1.883 3.636 ( 4.996 2.885 0.032) 5.770 3.831 ( -0.745 -0.430 1.246) 1.514 4.275 ( 12.418 7.170 0.369) 14.344 4.815 ( 10.722 6.191 1.454) 12.466 5.056 ( 8.040 4.642 0.230) 9.286 5.480 ( 14.870 8.585 1.316) 17.220 7.593 ( 5.903 3.408 0.195) 6.819 8.392 ( -0.658 -0.380 -2.114) 2.247 8.730 ( 3.593 2.074 -0.790) 4.224 9.031 ( 3.590 2.073 0.548) 4.181 9.326 ( 5.445 3.144 5.476) 8.338 9.550 ( -8.981 -5.185 0.615) 10.389 9.653 ( 5.085 2.936 -4.529) 7.416 10.239 ( -9.012 -5.203 3.175) 10.880 10.613 ( -6.587 -3.803 0.038) 7.606 11.994 ( 1.676 0.968 -0.356) 1.968 13.606 ( 1.674 0.966 1.292) 2.324 14.320 ( 4.427 2.556 -1.605) 5.357 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.000 16.611 14.867) 22.292 1.240 ( -0.000 27.487 9.825) 29.190 1.834 ( 0.000 4.702 -8.424) 9.648 1.892 ( 0.000 6.281 -11.543) 13.141 2.337 ( -0.000 21.301 21.806) 30.483 2.894 ( -0.000 1.556 4.080) 4.366 2.980 ( -0.000 10.068 3.515) 10.664 3.066 ( 0.000 9.651 -38.005) 39.211 3.306 ( 0.000 0.629 -1.219) 1.371 3.452 ( 0.000 14.784 -3.759) 15.255 4.050 ( 0.000 -6.058 -4.780) 7.717 5.659 ( -0.000 -5.318 13.180) 14.212 7.967 ( -0.000 -36.898 30.709) 48.005 8.411 ( -0.000 1.678 0.138) 1.684 8.510 ( 0.000 -4.225 -11.306) 12.070 8.722 ( -0.000 2.013 -0.078) 2.015 9.085 ( -0.000 -0.924 1.149) 1.474 9.488 ( -0.000 -1.290 1.482) 1.965 10.279 ( -0.000 -4.022 0.942) 4.131 10.827 ( 0.000 24.991 -14.787) 29.038 11.800 ( 0.000 -10.394 -0.713) 10.418 11.887 ( 0.000 0.299 -0.811) 0.865 12.901 ( -0.000 21.965 1.946) 22.051 15.076 ( -0.000 -54.981 14.808) 56.940 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 10.139 19.368 10.673) 24.327 1.619 ( 10.761 19.175 6.854) 23.032 1.898 ( 4.707 11.067 -14.391) 18.755 2.033 ( 7.705 9.798 -12.257) 17.481 2.718 ( 12.390 22.653 19.481) 32.345 2.920 ( -0.078 3.878 4.515) 5.952 3.141 ( 7.298 11.054 -10.354) 16.813 3.230 ( 10.641 12.377 -14.683) 21.954 3.342 ( 2.768 3.285 -0.593) 4.336 3.700 ( 10.034 18.629 -2.539) 21.312 3.944 ( -2.954 -4.939 -7.243) 9.251 5.586 ( -4.349 -7.022 11.497) 14.156 7.625 ( -9.689 -18.718 31.572) 37.961 8.432 ( -1.268 -2.303 -16.058) 16.272 8.454 ( 2.178 2.652 -0.331) 3.448 8.757 ( 1.334 2.985 0.153) 3.273 9.103 ( 0.920 1.401 2.166) 2.739 9.476 ( 0.077 -1.609 2.374) 2.869 10.210 ( -3.200 -4.400 1.330) 5.601 10.956 ( -0.972 4.058 -11.735) 12.455 11.586 ( -9.127 -18.719 -1.029) 20.851 11.900 ( 0.891 0.553 -1.420) 1.765 13.267 ( 13.782 20.900 1.649) 25.089 14.387 ( -21.854 -34.147 13.009) 42.578 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 10.462 19.434 7.544) 23.325 1.937 ( 8.850 11.263 5.857) 15.475 2.150 ( 13.712 11.489 -15.098) 23.409 2.249 ( 7.910 11.456 -11.808) 18.255 2.971 ( 0.177 6.351 5.647) 8.500 3.237 ( 16.285 19.957 12.268) 28.530 3.339 ( 6.856 3.190 -1.352) 7.682 3.468 ( 7.233 11.086 -1.045) 13.278 3.582 ( 17.338 14.680 -13.070) 26.209 3.801 ( -2.294 -3.344 -2.931) 5.004 4.173 ( 18.955 19.990 -4.861) 27.973 5.440 ( -6.746 -7.394 8.810) 13.334 7.461 ( -3.415 -5.472 20.456) 21.449 8.368 ( -0.005 -0.448 -15.642) 15.649 8.531 ( 2.949 4.030 -0.756) 5.051 8.824 ( 2.580 3.733 0.452) 4.560 9.146 ( 0.838 2.516 5.419) 6.033 9.474 ( 1.606 -2.351 0.633) 2.917 10.092 ( -7.163 -2.621 1.541) 7.781 10.862 ( -6.217 -5.380 -1.777) 8.411 11.159 ( -14.311 -21.805 -3.146) 26.271 11.923 ( 1.156 1.540 -1.452) 2.412 13.634 ( 5.090 12.826 -0.904) 13.829 13.945 ( -3.868 -10.411 7.296) 13.288 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 6.457 17.516 5.285) 19.402 2.197 ( 8.637 9.756 3.580) 13.513 2.447 ( 7.477 10.584 -8.581) 15.542 2.472 ( 12.830 9.385 -9.884) 18.718 3.059 ( -0.204 9.303 5.237) 10.678 3.461 ( 5.578 3.137 -1.469) 6.566 3.572 ( 2.288 5.156 -0.319) 5.650 3.701 ( 8.486 8.250 -0.007) 11.835 3.825 ( 9.197 5.166 1.492) 10.654 4.090 ( 23.877 17.196 -4.279) 29.735 4.688 ( 19.814 16.482 -2.808) 25.926 5.279 ( -5.233 -5.941 6.343) 10.144 7.457 ( 1.462 0.423 7.924) 8.068 8.360 ( 1.637 0.807 -9.286) 9.463 8.624 ( 2.889 5.113 -0.980) 5.954 8.913 ( 3.157 3.993 0.568) 5.122 9.205 ( 1.612 2.761 7.629) 8.272 9.493 ( 3.558 -1.666 -2.936) 4.904 9.924 ( -10.828 -0.788 0.833) 10.888 10.622 ( -12.463 -12.485 5.152) 18.378 10.799 ( -5.443 -12.676 -4.397) 14.479 11.964 ( 1.071 3.489 -0.986) 3.781 13.643 ( -5.541 4.209 0.626) 6.986 14.052 ( 11.183 0.393 0.905) 11.226 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 1.303 15.201 2.859) 15.522 2.423 ( 6.732 8.058 2.689) 10.839 2.619 ( 4.048 9.852 -6.075) 12.262 2.761 ( 12.135 7.217 -3.594) 14.569 3.166 ( -0.091 11.170 2.905) 11.542 3.556 ( 1.169 0.282 -1.891) 2.241 3.605 ( 2.484 3.793 0.424) 4.554 3.838 ( 1.999 3.684 -0.913) 4.289 4.122 ( 13.749 7.323 1.216) 15.625 4.625 ( 20.482 12.480 -0.582) 23.992 5.014 ( 3.372 3.914 -0.623) 5.204 5.305 ( 12.813 4.386 3.103) 13.894 7.537 ( 4.528 3.242 0.568) 5.597 8.376 ( 0.971 -0.498 -2.855) 3.057 8.718 ( 2.249 5.531 -0.803) 6.024 9.006 ( 3.048 3.753 0.408) 4.852 9.290 ( 3.317 2.666 6.169) 7.495 9.553 ( 4.914 0.253 -3.760) 6.193 9.730 ( -11.281 0.881 -0.819) 11.345 10.325 ( -9.235 -10.133 2.654) 13.964 10.628 ( -3.067 -9.402 0.536) 9.904 12.021 ( 0.257 5.977 -0.344) 5.992 13.619 ( -1.690 2.639 1.000) 3.290 14.213 ( 8.263 -1.304 -1.303) 8.466 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -0.000 20.540 7.599) 21.901 1.763 ( -0.000 20.957 7.015) 22.100 1.972 ( 0.000 14.783 -21.183) 25.831 2.016 ( 0.000 9.753 -5.827) 11.361 2.920 ( -0.000 28.555 19.500) 34.578 2.946 ( -0.000 2.585 0.854) 2.723 3.190 ( 0.000 17.872 -17.209) 24.810 3.281 ( -0.000 15.797 -0.151) 15.798 3.329 ( -0.000 2.202 -0.068) 2.203 3.823 ( 0.000 19.817 -1.242) 19.856 3.909 ( 0.000 -0.398 -7.590) 7.600 5.568 ( -0.000 -8.691 8.902) 12.441 7.581 ( -0.000 -16.966 29.021) 33.616 8.386 ( 0.000 -2.077 -16.218) 16.350 8.462 ( -0.000 3.379 0.521) 3.419 8.777 ( 0.000 3.564 -0.264) 3.574 9.121 ( -0.000 3.392 1.480) 3.701 9.472 ( -0.000 -1.606 4.146) 4.446 10.165 ( -0.000 -7.833 0.378) 7.842 10.982 ( 0.000 1.240 -13.104) 13.162 11.467 ( -0.000 -23.051 1.479) 23.098 11.897 ( 0.000 0.941 -0.328) 0.996 13.358 ( -0.000 19.322 3.755) 19.683 14.253 ( -0.000 -29.212 5.915) 29.805 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 10.099 19.585 4.331) 22.457 1.983 ( 3.125 15.183 4.330) 16.095 2.092 ( 4.086 15.308 -11.819) 19.767 2.206 ( 8.164 11.855 -8.151) 16.541 3.008 ( 3.491 4.812 0.281) 5.951 3.280 ( 5.571 19.807 9.596) 22.703 3.338 ( 0.968 10.750 1.786) 10.940 3.443 ( 8.260 15.892 -3.849) 18.319 3.510 ( 7.516 16.560 -2.907) 18.416 3.810 ( -2.724 -2.117 -4.444) 5.626 4.162 ( 8.044 26.328 -2.894) 27.681 5.463 ( -3.620 -9.048 5.662) 11.271 7.487 ( -2.071 -7.519 19.180) 20.705 8.337 ( -0.251 0.050 -13.015) 13.018 8.524 ( 2.530 4.305 0.281) 5.001 8.828 ( 1.639 4.237 -0.130) 4.545 9.170 ( 0.942 3.966 1.300) 4.279 9.453 ( -1.119 -1.766 4.082) 4.586 10.097 ( 0.842 -7.573 0.724) 7.654 10.899 ( -4.568 -4.453 -8.202) 10.391 11.135 ( -10.450 -25.071 1.211) 27.189 11.917 ( 1.093 1.705 -0.541) 2.096 13.608 ( 10.021 9.764 3.260) 14.366 13.983 ( -8.765 -8.232 1.341) 12.099 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 7.938 14.382 2.348) 16.594 2.233 ( 8.000 18.784 2.437) 20.561 2.326 ( 9.507 11.873 -6.156) 16.408 2.444 ( 7.387 11.657 -4.731) 14.589 3.148 ( 4.091 9.233 1.317) 10.184 3.406 ( 3.267 4.317 0.165) 5.417 3.578 ( 4.651 8.832 0.689) 10.006 3.677 ( 6.148 8.527 1.732) 10.654 3.773 ( 1.941 5.142 -1.785) 5.779 3.940 ( 15.187 25.056 -1.818) 29.356 4.585 ( 13.221 22.503 -1.238) 26.129 5.310 ( -5.107 -8.064 2.929) 9.985 7.460 ( 0.107 -0.650 7.495) 7.524 8.331 ( 0.926 1.588 -6.562) 6.814 8.625 ( 3.453 5.676 -0.188) 6.646 8.908 ( 2.538 4.533 0.137) 5.197 9.229 ( 1.110 3.736 2.459) 4.608 9.435 ( 0.597 -1.004 0.737) 1.381 10.031 ( -2.536 -4.581 0.645) 5.276 10.699 ( -12.802 -17.397 3.586) 21.896 10.741 ( -4.818 -11.531 -5.561) 13.679 11.970 ( 2.258 3.782 -0.492) 4.432 13.804 ( -1.649 -4.096 1.052) 4.539 13.870 ( 4.558 8.951 0.340) 10.051 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 6.516 11.242 2.444) 13.222 2.508 ( 2.496 17.476 0.547) 17.662 2.632 ( 10.850 10.911 -1.257) 15.439 2.654 ( 6.486 12.699 -3.571) 14.700 3.305 ( 0.385 12.921 2.874) 13.242 3.509 ( 4.741 1.983 -1.875) 5.470 3.613 ( -0.508 0.145 0.228) 0.575 3.841 ( 3.938 7.803 -1.133) 8.813 3.990 ( 10.626 9.570 0.926) 14.330 4.436 ( 17.414 18.118 -0.542) 25.136 4.989 ( 9.757 14.523 -1.562) 17.566 5.187 ( 0.942 -4.835 2.631) 5.585 7.508 ( 2.834 3.345 0.393) 4.402 8.351 ( 0.827 0.129 -1.362) 1.599 8.741 ( 2.812 6.966 -0.379) 7.522 8.997 ( 2.750 4.195 0.123) 5.018 9.291 ( 1.508 2.975 3.389) 4.755 9.473 ( 3.902 1.777 -2.500) 4.963 9.909 ( -8.205 -1.678 -0.262) 8.378 10.367 ( -8.501 -12.606 0.732) 15.222 10.566 ( -2.839 -11.177 0.691) 11.553 12.064 ( 2.597 6.929 -0.173) 7.401 13.724 ( -5.791 2.868 0.743) 6.505 14.037 ( 8.825 -1.454 -0.848) 8.984 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 17.469 -0.931) 17.494 2.101 ( 0.000 13.211 -5.492) 14.307 2.210 ( -0.000 10.520 4.031) 11.266 2.236 ( 0.000 18.802 -4.467) 19.325 2.996 ( 0.000 3.050 -3.218) 4.434 3.398 ( -0.000 4.668 1.262) 4.835 3.449 ( -0.000 14.829 0.636) 14.843 3.519 ( -0.000 15.331 2.245) 15.494 3.678 ( -0.000 26.525 4.171) 26.851 3.836 ( 0.000 6.613 -4.503) 8.000 4.369 ( -0.000 28.494 -0.738) 28.503 5.412 ( -0.000 -9.082 1.817) 9.262 7.476 ( -0.000 -4.530 12.543) 13.336 8.323 ( 0.000 1.550 -7.890) 8.041 8.543 ( -0.000 4.475 0.830) 4.552 8.855 ( 0.000 4.552 -0.447) 4.574 9.201 ( 0.000 4.242 -2.012) 4.695 9.472 ( -0.000 -0.326 6.738) 6.746 9.985 ( 0.000 -10.433 -0.136) 10.433 10.854 ( 0.000 -9.955 -9.001) 13.421 11.010 ( -0.000 -20.411 2.142) 20.523 11.920 ( -0.000 1.498 0.072) 1.500 13.575 ( -0.000 1.547 3.146) 3.506 14.040 ( 0.000 3.787 -0.729) 3.857 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 11.014 14.335 -3.064) 18.336 2.228 ( 3.284 11.916 -5.479) 13.520 2.399 ( 6.580 12.175 5.745) 14.984 2.433 ( 2.527 16.003 1.450) 16.267 3.089 ( 7.687 4.454 -3.851) 9.683 3.449 ( -0.134 6.405 1.901) 6.683 3.574 ( 3.351 3.243 -0.697) 4.715 3.689 ( 2.818 11.128 3.557) 12.017 3.843 ( -0.324 11.576 -3.454) 12.085 4.068 ( 3.754 30.324 2.375) 30.648 4.676 ( 4.551 25.128 0.858) 25.552 5.305 ( -2.958 -7.113 -1.367) 7.824 7.470 ( -0.043 0.267 4.558) 4.566 8.334 ( 0.048 2.499 -2.084) 3.254 8.618 ( 3.124 5.032 0.693) 5.963 8.916 ( 1.772 4.734 -0.334) 5.066 9.242 ( 1.098 3.602 -3.841) 5.379 9.466 ( -2.412 1.433 5.705) 6.358 9.926 ( 4.465 -9.976 0.307) 10.934 10.654 ( -5.437 -18.568 -4.253) 19.809 10.784 ( -8.107 -8.913 -0.301) 12.052 11.960 ( 2.549 2.762 0.114) 3.760 13.643 ( 6.680 -2.174 0.746) 7.064 14.054 ( -5.458 8.970 0.233) 10.503 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 0.000 10.852 -5.132) 12.004 2.302 ( 0.000 10.945 -6.367) 12.662 2.450 ( -0.000 10.220 9.081) 13.671 2.597 ( -0.000 16.797 5.317) 17.618 3.043 ( 0.000 3.852 -4.596) 5.997 3.514 ( -0.000 6.252 1.148) 6.356 3.561 ( -0.000 0.693 0.630) 0.936 3.773 ( -0.000 7.226 2.682) 7.708 3.975 ( 0.000 15.842 -3.553) 16.236 4.346 ( -0.000 29.839 2.640) 29.956 4.873 ( -0.000 19.558 2.299) 19.692 5.279 ( 0.000 -0.850 -4.513) 4.592 7.491 ( -0.000 2.868 1.369) 3.178 8.361 ( -0.000 2.512 1.657) 3.009 8.638 ( -0.000 4.750 0.935) 4.841 8.945 ( 0.000 4.765 -0.561) 4.798 9.257 ( 0.000 3.870 -6.411) 7.488 9.532 ( -0.000 3.452 6.906) 7.721 9.768 ( 0.000 -11.366 -0.498) 11.377 10.519 ( 0.000 -16.611 -4.119) 17.114 10.770 ( 0.000 -8.588 -0.603) 8.609 11.954 ( -0.000 1.872 0.310) 1.898 13.583 ( 0.000 0.539 -0.099) 0.548 14.186 ( -0.000 8.006 0.765) 8.043 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -0.000 0.000 15.484) 15.484 0.938 ( -0.000 0.000 15.484) 15.484 1.808 ( 0.000 -0.000 -11.352) 11.352 1.808 ( 0.000 -0.000 -11.352) 11.352 2.140 ( -0.000 0.000 28.708) 28.708 2.864 ( 0.000 -0.000 -47.852) 47.852 2.883 ( -0.000 0.000 4.068) 4.068 2.883 ( -0.000 0.000 4.068) 4.068 3.299 ( 0.000 -0.000 -1.310) 1.310 3.299 ( 0.000 -0.000 -1.310) 1.310 4.114 ( 0.000 -0.000 -1.487) 1.487 5.740 ( -0.000 0.000 11.596) 11.596 8.397 ( 0.000 -0.000 -0.121) 0.121 8.397 ( 0.000 -0.000 -0.121) 0.121 8.701 ( -0.000 0.000 0.051) 0.051 8.701 ( -0.000 0.000 0.051) 0.051 9.166 ( -0.000 0.000 6.943) 6.943 9.510 ( 0.000 -0.000 -2.491) 2.491 10.317 ( -0.000 0.000 1.011) 1.011 10.317 ( -0.000 0.000 1.011) 1.011 11.885 ( 0.000 -0.000 -0.874) 0.874 11.885 ( 0.000 -0.000 -0.874) 0.874 12.663 ( 0.000 -0.000 -0.258) 0.258 15.785 ( -0.000 0.000 0.977) 0.977 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 13.225 7.636 11.359) 19.033 1.282 ( 22.347 12.902 7.263) 26.807 1.765 ( 1.651 0.953 -7.795) 8.025 1.872 ( 6.939 4.006 -10.742) 13.401 2.431 ( 17.177 9.917 22.718) 30.158 2.891 ( 0.306 0.177 4.364) 4.378 2.892 ( 11.158 6.442 -37.044) 39.220 3.031 ( 11.138 6.431 0.442) 12.869 3.308 ( 0.953 0.550 -1.430) 1.804 3.433 ( 12.130 7.003 -1.491) 14.086 4.035 ( -6.008 -3.469 -2.102) 7.249 5.708 ( -4.737 -2.735 9.746) 11.176 8.097 ( -27.963 -16.144 27.902) 42.674 8.418 ( 1.777 1.026 -0.518) 2.116 8.455 ( -5.392 -3.113 -13.917) 15.246 8.718 ( 1.564 0.903 0.296) 1.831 9.102 ( -0.780 -0.450 -0.143) 0.912 9.494 ( -0.109 -0.063 0.806) 0.816 10.274 ( -3.795 -2.191 1.360) 4.588 10.758 ( 18.080 10.439 -8.421) 22.512 11.802 ( -7.783 -4.493 -1.506) 9.112 11.891 ( 0.513 0.296 -1.144) 1.288 12.913 ( 20.265 11.700 0.577) 23.407 15.118 ( -47.173 -27.235 9.813) 55.347 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 16.783 9.690 7.748) 20.871 1.763 ( 15.594 9.003 8.827) 20.054 1.907 ( 14.133 8.160 -14.500) 21.831 2.049 ( 10.111 5.837 -10.269) 15.548 2.917 ( 1.191 0.688 4.998) 5.184 2.933 ( 22.537 13.012 17.971) 31.626 3.179 ( 18.276 10.552 -18.261) 27.908 3.330 ( 15.220 8.787 -6.022) 18.578 3.340 ( 2.272 1.312 -1.602) 3.074 3.809 ( 15.979 9.226 1.123) 18.486 3.897 ( 0.208 0.120 -5.549) 5.554 5.579 ( -8.029 -4.635 7.399) 11.862 7.658 ( -14.610 -8.435 21.862) 27.614 8.351 ( -1.688 -0.975 -14.712) 14.840 8.472 ( 3.070 1.773 -0.889) 3.655 8.771 ( 3.006 1.736 0.536) 3.513 9.119 ( 1.751 1.011 1.840) 2.734 9.499 ( 0.227 0.131 0.469) 0.538 10.157 ( -6.814 -3.934 1.541) 8.018 10.912 ( -0.500 -0.289 -2.508) 2.573 11.489 ( -19.165 -11.065 -2.780) 22.303 11.903 ( 0.823 0.475 -1.246) 1.567 13.390 ( 18.142 10.474 -1.382) 20.994 14.235 ( -26.944 -15.556 8.900) 32.361 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 14.474 8.356 6.166) 17.814 2.053 ( 11.044 6.376 6.953) 14.525 2.258 ( 10.078 5.818 -10.184) 15.464 2.260 ( 16.817 9.709 -9.675) 21.695 2.968 ( 2.294 1.324 5.415) 6.028 3.408 ( 4.075 2.353 -1.600) 4.970 3.429 ( 15.314 8.842 5.744) 18.593 3.530 ( 13.096 7.561 -0.963) 15.152 3.725 ( 18.504 10.683 -9.216) 23.269 3.820 ( 7.703 4.447 -0.042) 8.895 4.374 ( 25.006 14.437 -2.182) 28.957 5.401 ( -8.364 -4.829 5.173) 10.956 7.494 ( -3.740 -2.159 7.224) 8.416 8.323 ( 1.395 0.805 -8.032) 8.192 8.549 ( 3.889 2.245 -1.052) 4.612 8.852 ( 3.933 2.271 0.642) 4.587 9.178 ( 2.633 1.520 5.096) 5.934 9.505 ( 0.735 0.424 -3.269) 3.377 9.980 ( -8.956 -5.171 1.233) 10.415 10.807 ( -9.091 -5.249 5.479) 11.841 11.029 ( -17.665 -10.199 -3.901) 20.767 11.924 ( 1.222 0.705 -0.936) 1.693 13.590 ( 0.474 0.273 -1.401) 1.504 14.027 ( 4.383 2.531 3.126) 5.949 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -0.000 15.479 7.942) 17.397 1.292 ( -0.000 25.299 5.791) 25.954 1.768 ( 0.000 2.731 -9.382) 9.772 1.833 ( 0.000 6.835 -5.762) 8.940 2.486 ( -0.000 20.019 23.815) 31.112 2.806 ( 0.000 13.396 -35.490) 37.934 2.912 ( -0.000 1.224 1.374) 1.840 3.018 ( -0.000 11.387 3.403) 11.885 3.301 ( 0.000 0.774 -0.401) 0.871 3.435 ( 0.000 14.154 -1.708) 14.257 4.031 ( 0.000 -7.153 -1.261) 7.263 5.727 ( -0.000 -5.345 7.190) 8.959 8.155 ( -0.000 -31.895 25.889) 41.079 8.412 ( -0.000 1.777 0.336) 1.808 8.423 ( 0.000 -6.659 -15.158) 16.556 8.721 ( 0.000 1.967 -0.193) 1.976 9.092 ( -0.000 -1.173 1.128) 1.628 9.495 ( -0.000 -0.288 0.610) 0.674 10.282 ( 0.000 -4.085 0.150) 4.088 10.752 ( 0.000 22.020 -7.839) 23.374 11.796 ( 0.000 -9.944 -0.361) 9.950 11.884 ( 0.000 0.355 -0.140) 0.382 12.910 ( -0.000 22.774 0.975) 22.795 15.142 ( -0.000 -52.747 5.805) 53.066 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 10.191 18.516 4.456) 21.600 1.658 ( 11.676 20.327 4.437) 23.858 1.815 ( 3.823 7.816 -9.011) 12.526 1.974 ( 6.698 9.979 -4.980) 13.009 2.849 ( 10.932 20.963 20.842) 31.517 2.940 ( 1.552 3.989 1.044) 4.406 3.003 ( 11.397 17.596 -23.435) 31.443 3.206 ( 6.856 10.015 0.129) 12.137 3.340 ( 2.672 4.045 -0.142) 4.850 3.689 ( 10.787 19.054 -0.911) 21.914 3.916 ( -3.848 -6.569 -1.868) 7.839 5.640 ( -4.304 -7.259 4.388) 9.512 7.798 ( -11.109 -19.961 17.320) 28.667 8.334 ( -1.402 -2.362 -10.919) 11.259 8.453 ( 1.882 2.848 -0.083) 3.414 8.758 ( 1.533 2.894 0.051) 3.275 9.112 ( 1.269 2.052 0.549) 2.475 9.489 ( -0.230 -1.028 1.143) 1.555 10.216 ( -2.834 -4.506 0.479) 5.345 10.901 ( 1.140 3.825 -4.590) 6.082 11.581 ( -9.967 -18.048 -0.371) 20.621 11.893 ( 0.567 0.629 -0.494) 0.980 13.274 ( 12.920 21.416 0.542) 25.017 14.442 ( -21.317 -35.724 4.239) 41.816 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 10.778 18.808 2.851) 21.864 1.979 ( 8.163 9.626 6.413) 14.157 2.071 ( 14.910 12.819 -7.369) 20.998 2.195 ( 7.055 12.038 -4.027) 14.523 3.000 ( 1.020 5.875 2.938) 6.647 3.309 ( 12.438 15.132 6.145) 20.529 3.327 ( 8.684 5.955 -0.132) 10.530 3.443 ( 13.030 16.182 -5.314) 21.445 3.522 ( 11.958 13.168 -5.072) 18.496 3.793 ( -1.512 -3.718 0.668) 4.069 4.156 ( 19.103 20.275 -0.788) 27.868 5.476 ( -6.592 -7.746 1.954) 10.357 7.547 ( -5.665 -6.913 2.960) 9.415 8.299 ( 0.536 0.238 -3.150) 3.204 8.526 ( 2.702 4.163 -0.553) 4.993 8.827 ( 2.723 3.647 0.313) 4.562 9.168 ( 2.071 2.965 1.747) 4.016 9.472 ( 0.378 -2.225 -1.515) 2.719 10.098 ( -7.075 -2.787 0.439) 7.617 10.863 ( -3.353 -5.176 2.635) 6.707 11.144 ( -15.577 -21.804 -1.630) 26.846 11.917 ( 1.079 1.640 -0.506) 2.028 13.625 ( 4.390 13.202 -1.979) 14.053 13.978 ( -3.901 -11.619 2.874) 12.589 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.000 19.619 -0.479) 19.625 1.808 ( -0.000 24.026 4.060) 24.366 1.858 ( 0.000 10.185 -9.367) 13.837 2.005 ( -0.000 10.849 2.699) 11.180 2.941 ( 0.000 1.934 -2.231) 2.953 3.046 ( -0.000 24.293 10.597) 26.504 3.061 ( 0.000 25.291 -10.783) 27.493 3.302 ( -0.000 15.230 3.818) 15.702 3.332 ( -0.000 2.463 0.920) 2.629 3.816 ( 0.000 21.493 -0.993) 21.516 3.882 ( 0.000 -2.854 -0.947) 3.007 5.601 ( -0.000 -9.121 0.929) 9.168 7.714 ( -0.000 -18.520 7.426) 19.953 8.308 ( 0.000 -1.596 -3.993) 4.300 8.467 ( -0.000 3.451 0.773) 3.536 8.774 ( 0.000 3.531 -0.440) 3.558 9.125 ( -0.000 3.046 -0.045) 3.046 9.494 ( -0.000 -0.485 2.267) 2.318 10.164 ( 0.000 -7.821 -0.641) 7.847 10.920 ( 0.000 0.925 -5.436) 5.514 11.476 ( -0.000 -22.520 1.503) 22.570 11.897 ( -0.000 0.927 0.508) 1.057 13.378 ( -0.000 20.170 2.466) 20.321 14.268 ( 0.000 -30.951 -1.390) 30.982 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -0.000 0.000 6.016) 6.016 1.010 ( -0.000 0.000 6.016) 6.016 1.754 ( 0.000 -0.000 -4.635) 4.635 1.754 ( 0.000 -0.000 -4.635) 4.635 2.311 ( -0.000 0.000 23.332) 23.332 2.589 ( 0.000 -0.000 -33.016) 33.016 2.902 ( -0.000 0.000 1.458) 1.458 2.902 ( -0.000 0.000 1.458) 1.458 3.293 ( 0.000 -0.000 -0.511) 0.511 3.293 ( 0.000 -0.000 -0.511) 0.511 4.110 ( 0.000 -0.000 -0.058) 0.058 5.794 ( -0.000 0.000 4.475) 4.475 8.396 ( 0.000 -0.000 -0.041) 0.041 8.396 ( 0.000 -0.000 -0.041) 0.041 8.701 ( -0.000 0.000 0.017) 0.017 8.701 ( -0.000 0.000 0.017) 0.017 9.202 ( -0.000 0.000 3.329) 3.329 9.496 ( 0.000 -0.000 -1.475) 1.475 10.322 ( -0.000 0.000 0.358) 0.358 10.322 ( -0.000 0.000 0.358) 0.358 11.881 ( 0.000 -0.000 -0.310) 0.310 11.881 ( 0.000 -0.000 -0.310) 0.310 12.661 ( 0.000 -0.000 -0.207) 0.207 15.790 ( -0.000 0.000 0.313) 0.313 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.32e-04 2.32e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 12.960 7.482 2.505) 15.173 1.310 ( 21.418 12.366 0.876) 24.747 1.735 ( 1.323 0.764 -0.086) 1.530 1.825 ( 6.489 3.746 -3.306) 8.189 2.584 ( 16.931 9.775 20.840) 28.575 2.676 ( 13.076 7.550 -23.742) 28.136 2.911 ( 0.692 0.399 1.647) 1.830 3.033 ( 10.304 5.949 -0.870) 11.930 3.301 ( 0.824 0.476 -0.636) 1.145 3.429 ( 12.067 6.967 0.161) 13.935 4.028 ( -6.442 -3.719 -0.180) 7.440 5.746 ( -4.689 -2.707 1.586) 5.641 8.243 ( -28.921 -16.697 10.381) 34.971 8.364 ( -3.523 -2.034 -8.196) 9.150 8.415 ( 1.653 0.954 -0.469) 1.966 8.720 ( 1.640 0.947 0.269) 1.913 9.099 ( -1.097 -0.633 -0.769) 1.482 9.497 ( 0.219 0.127 0.063) 0.261 10.281 ( -3.648 -2.106 0.666) 4.265 10.728 ( 17.783 10.267 -0.532) 20.541 11.796 ( -8.275 -4.778 -0.410) 9.564 11.885 ( 0.398 0.230 -0.554) 0.720 12.914 ( 20.144 11.630 -0.223) 23.262 15.155 ( -45.507 -26.273 1.831) 52.579 =================== 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 3/81000 10.0 670.803 670.803 542.169 0.000 -0.000 -0.000 3/81000 20.0 295.529 295.529 119.399 0.000 -0.000 -0.000 3/81000 30.0 139.942 139.942 50.148 0.000 -0.000 -0.000 3/81000 40.0 90.430 90.430 30.891 0.000 -0.000 -0.000 3/81000 50.0 68.052 68.052 22.731 0.000 -0.000 -0.000 3/81000 60.0 54.926 54.926 18.163 0.000 -0.000 -0.000 3/81000 70.0 45.975 45.975 15.158 0.000 -0.000 -0.000 3/81000 80.0 39.376 39.376 12.995 0.000 -0.000 -0.000 3/81000 90.0 34.303 34.303 11.358 0.000 -0.000 -0.000 3/81000 100.0 30.299 30.299 10.077 0.000 -0.000 -0.000 3/81000 110.0 27.079 27.079 9.049 0.000 -0.000 -0.000 3/81000 120.0 24.446 24.446 8.208 0.000 -0.000 -0.000 3/81000 130.0 22.263 22.263 7.510 0.000 -0.000 -0.000 3/81000 140.0 20.431 20.431 6.921 0.000 -0.000 -0.000 3/81000 150.0 18.875 18.875 6.419 0.000 -0.000 -0.000 3/81000 160.0 17.539 17.539 5.986 0.000 -0.000 -0.000 3/81000 170.0 16.381 16.381 5.609 0.000 -0.000 -0.000 3/81000 180.0 15.369 15.369 5.277 0.000 -0.000 -0.000 3/81000 190.0 14.477 14.477 4.984 0.000 -0.000 -0.000 3/81000 200.0 13.685 13.685 4.722 0.000 -0.000 -0.000 3/81000 210.0 12.978 12.978 4.487 0.000 -0.000 -0.000 3/81000 220.0 12.342 12.342 4.275 0.000 -0.000 -0.000 3/81000 230.0 11.768 11.768 4.083 0.000 -0.000 -0.000 3/81000 240.0 11.246 11.246 3.908 0.000 -0.000 -0.000 3/81000 250.0 10.770 10.770 3.747 0.000 -0.000 -0.000 3/81000 260.0 10.334 10.334 3.600 0.000 -0.000 -0.000 3/81000 270.0 9.932 9.932 3.464 0.000 -0.000 -0.000 3/81000 280.0 9.562 9.562 3.338 0.000 -0.000 -0.000 3/81000 290.0 9.220 9.220 3.221 0.000 -0.000 -0.000 3/81000 300.0 8.901 8.901 3.113 0.000 -0.000 -0.000 3/81000 310.0 8.605 8.605 3.011 0.000 -0.000 -0.000 3/81000 320.0 8.328 8.328 2.916 0.000 -0.000 -0.000 3/81000 330.0 8.069 8.069 2.827 0.000 -0.000 -0.000 3/81000 340.0 7.826 7.826 2.744 0.000 -0.000 -0.000 3/81000 350.0 7.598 7.598 2.665 0.000 -0.000 -0.000 3/81000 360.0 7.383 7.383 2.591 0.000 -0.000 -0.000 3/81000 370.0 7.180 7.180 2.520 0.000 -0.000 -0.000 3/81000 380.0 6.988 6.988 2.454 0.000 -0.000 -0.000 3/81000 390.0 6.806 6.806 2.391 0.000 -0.000 -0.000 3/81000 400.0 6.634 6.634 2.331 0.000 -0.000 -0.000 3/81000 410.0 6.470 6.470 2.275 0.000 -0.000 -0.000 3/81000 420.0 6.315 6.315 2.221 0.000 -0.000 -0.000 3/81000 430.0 6.167 6.167 2.169 0.000 -0.000 -0.000 3/81000 440.0 6.026 6.026 2.120 0.000 -0.000 -0.000 3/81000 450.0 5.891 5.891 2.073 0.000 -0.000 -0.000 3/81000 460.0 5.763 5.763 2.028 0.000 -0.000 -0.000 3/81000 470.0 5.639 5.639 1.985 0.000 -0.000 -0.000 3/81000 480.0 5.522 5.522 1.944 0.000 -0.000 -0.000 3/81000 490.0 5.409 5.409 1.905 0.000 -0.000 -0.000 3/81000 500.0 5.300 5.300 1.867 0.000 -0.000 -0.000 3/81000 510.0 5.196 5.196 1.830 0.000 -0.000 -0.000 3/81000 520.0 5.096 5.096 1.795 0.000 -0.000 -0.000 3/81000 530.0 5.000 5.000 1.762 0.000 -0.000 -0.000 3/81000 540.0 4.908 4.908 1.729 0.000 -0.000 -0.000 3/81000 550.0 4.819 4.819 1.698 0.000 -0.000 -0.000 3/81000 560.0 4.733 4.733 1.668 0.000 -0.000 -0.000 3/81000 570.0 4.650 4.650 1.639 0.000 -0.000 -0.000 3/81000 580.0 4.570 4.570 1.611 0.000 -0.000 -0.000 3/81000 590.0 4.493 4.493 1.584 0.000 -0.000 -0.000 3/81000 600.0 4.418 4.418 1.558 0.000 -0.000 -0.000 3/81000 610.0 4.346 4.346 1.532 0.000 -0.000 -0.000 3/81000 620.0 4.276 4.276 1.508 0.000 -0.000 -0.000 3/81000 630.0 4.209 4.209 1.484 0.000 -0.000 -0.000 3/81000 640.0 4.143 4.143 1.461 0.000 -0.000 -0.000 3/81000 650.0 4.080 4.080 1.439 0.000 -0.000 -0.000 3/81000 660.0 4.019 4.019 1.417 0.000 -0.000 -0.000 3/81000 670.0 3.959 3.959 1.396 0.000 -0.000 -0.000 3/81000 680.0 3.901 3.901 1.376 0.000 -0.000 -0.000 3/81000 690.0 3.845 3.845 1.356 0.000 -0.000 -0.000 3/81000 700.0 3.790 3.790 1.337 0.000 -0.000 -0.000 3/81000 710.0 3.737 3.737 1.318 0.000 -0.000 -0.000 3/81000 720.0 3.686 3.686 1.300 0.000 -0.000 -0.000 3/81000 730.0 3.636 3.636 1.283 0.000 -0.000 -0.000 3/81000 740.0 3.587 3.587 1.265 0.000 -0.000 -0.000 3/81000 750.0 3.539 3.539 1.249 0.000 -0.000 -0.000 3/81000 760.0 3.493 3.493 1.232 0.000 -0.000 -0.000 3/81000 770.0 3.448 3.448 1.216 0.000 -0.000 -0.000 3/81000 780.0 3.404 3.404 1.201 0.000 -0.000 -0.000 3/81000 790.0 3.361 3.361 1.186 0.000 -0.000 -0.000 3/81000 800.0 3.320 3.320 1.171 0.000 -0.000 -0.000 3/81000 810.0 3.279 3.279 1.157 0.000 -0.000 -0.000 3/81000 820.0 3.239 3.239 1.143 0.000 -0.000 -0.000 3/81000 830.0 3.201 3.201 1.129 0.000 -0.000 -0.000 3/81000 840.0 3.163 3.163 1.116 0.000 -0.000 -0.000 3/81000 850.0 3.126 3.126 1.103 0.000 -0.000 -0.000 3/81000 860.0 3.090 3.090 1.090 0.000 -0.000 -0.000 3/81000 870.0 3.055 3.055 1.078 0.000 -0.000 -0.000 3/81000 880.0 3.020 3.020 1.066 0.000 -0.000 -0.000 3/81000 890.0 2.987 2.987 1.054 0.000 -0.000 -0.000 3/81000 900.0 2.954 2.954 1.042 0.000 -0.000 -0.000 3/81000 910.0 2.921 2.921 1.031 0.000 -0.000 -0.000 3/81000 920.0 2.890 2.890 1.020 0.000 -0.000 -0.000 3/81000 930.0 2.859 2.859 1.009 0.000 -0.000 -0.000 3/81000 940.0 2.829 2.829 0.998 0.000 -0.000 -0.000 3/81000 950.0 2.799 2.799 0.988 0.000 -0.000 -0.000 3/81000 960.0 2.771 2.771 0.978 0.000 -0.000 -0.000 3/81000 970.0 2.742 2.742 0.968 0.000 -0.000 -0.000 3/81000 980.0 2.715 2.715 0.958 0.000 -0.000 -0.000 3/81000 990.0 2.687 2.687 0.948 0.000 -0.000 -0.000 3/81000 1000.0 2.661 2.661 0.939 0.000 -0.000 -0.000 3/81000 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:24:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|