----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:53:34]------------------------- 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 1.801107599329169 1.039869957312175 9.443617169999989 b -1.801107599329166 1.039869957312175 9.443617169999989 c 0.000000000000002 -2.079739914624352 9.443617169999989 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 Li 0.06725650344256 0.06725650344257 0.06725650344256 6.941 3 Li 0.93274349655743 0.93274349655743 0.93274349655744 6.941 *4 Li 0.32482383440293 0.32482383440293 0.32482383440293 6.941 5 Li 0.67517616559707 0.67517616559707 0.67517616559707 6.941 *6 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 *7 Cl 0.78202107876092 0.78202107876092 0.78202107876092 35.453 8 Cl 0.21797892123908 0.21797892123908 0.21797892123908 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.602215198658335 0.000000000000000 0.000000000000000 b -1.801107599329168 3.119609871936527 0.000000000000000 c 0.000000000000000 0.000000000000000 28.330851509999999 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 *2 Li 0.00000000000000 0.00000000000000 0.06725650344256 6.941 > 2 3 Li 0.66666666666667 0.33333333333333 0.26607682989077 6.941 > 3 *4 Li 0.00000000000000 0.00000000000000 0.32482383440293 6.941 > 4 5 Li 0.66666666666667 0.33333333333333 0.00850949893040 6.941 > 5 6 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.66666666666667 0.33333333333333 0.40058983677590 6.941 > 2 8 Li 0.33333333333333 0.66666666666667 0.59941016322410 6.941 > 3 9 Li 0.66666666666667 0.33333333333333 0.65815716773627 6.941 > 4 10 Li 0.33333333333333 0.66666666666667 0.34184283226373 6.941 > 5 11 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 12 Li 0.33333333333333 0.66666666666667 0.73392317010923 6.941 > 2 13 Li 0.00000000000000 0.00000000000000 0.93274349655744 6.941 > 3 14 Li 0.33333333333333 0.66666666666667 0.99149050106960 6.941 > 4 15 Li 0.00000000000000 0.00000000000000 0.67517616559707 6.941 > 5 *16 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 6 17 N 0.66666666666667 0.33333333333333 0.33333333333333 14.007 > 6 18 N 0.33333333333333 0.66666666666667 0.66666666666667 14.007 > 6 *19 Cl 0.66666666666667 0.33333333333333 0.11535441209425 35.453 > 7 20 Cl 0.00000000000000 0.00000000000000 0.21797892123908 35.453 > 8 21 Cl 0.33333333333333 0.66666666666667 0.44868774542759 35.453 > 7 22 Cl 0.66666666666667 0.33333333333333 0.55131225457241 35.453 > 8 23 Cl 0.00000000000000 0.00000000000000 0.78202107876092 35.453 > 7 24 Cl 0.33333333333333 0.66666666666667 0.88464558790575 35.453 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.204430397316670 0.000000000000000 0.000000000000000 b -3.602215198658336 6.239219743873054 0.000000000000000 c 0.000000000000000 0.000000000000000 28.330851509999999 Atomic positions (fractional): *1 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 *5 Li 0.00000000000000 0.00000000000000 0.06725650344256 6.941 > 2 6 Li 0.50000000000000 0.00000000000000 0.06725650344256 6.941 > 2 7 Li 0.00000000000000 0.50000000000000 0.06725650344256 6.941 > 2 8 Li 0.50000000000000 0.50000000000000 0.06725650344256 6.941 > 2 9 Li 0.33333333333333 0.16666666666667 0.26607682989077 6.941 > 3 10 Li 0.83333333333333 0.16666666666667 0.26607682989077 6.941 > 3 11 Li 0.33333333333333 0.66666666666667 0.26607682989077 6.941 > 3 12 Li 0.83333333333333 0.66666666666667 0.26607682989077 6.941 > 3 *13 Li 0.00000000000000 0.00000000000000 0.32482383440293 6.941 > 4 14 Li 0.50000000000000 0.00000000000000 0.32482383440293 6.941 > 4 15 Li 0.00000000000000 0.50000000000000 0.32482383440293 6.941 > 4 16 Li 0.50000000000000 0.50000000000000 0.32482383440293 6.941 > 4 17 Li 0.33333333333333 0.16666666666667 0.00850949893040 6.941 > 5 18 Li 0.83333333333333 0.16666666666667 0.00850949893040 6.941 > 5 19 Li 0.33333333333333 0.66666666666667 0.00850949893040 6.941 > 5 20 Li 0.83333333333333 0.66666666666667 0.00850949893040 6.941 > 5 21 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 22 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 23 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 24 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 25 Li 0.33333333333333 0.16666666666667 0.40058983677590 6.941 > 2 26 Li 0.83333333333333 0.16666666666667 0.40058983677590 6.941 > 2 27 Li 0.33333333333333 0.66666666666667 0.40058983677590 6.941 > 2 28 Li 0.83333333333333 0.66666666666667 0.40058983677590 6.941 > 2 29 Li 0.16666666666667 0.33333333333333 0.59941016322410 6.941 > 3 30 Li 0.66666666666667 0.33333333333333 0.59941016322410 6.941 > 3 31 Li 0.16666666666667 0.83333333333333 0.59941016322410 6.941 > 3 32 Li 0.66666666666667 0.83333333333333 0.59941016322410 6.941 > 3 33 Li 0.33333333333333 0.16666666666667 0.65815716773627 6.941 > 4 34 Li 0.83333333333333 0.16666666666667 0.65815716773627 6.941 > 4 35 Li 0.33333333333333 0.66666666666667 0.65815716773627 6.941 > 4 36 Li 0.83333333333333 0.66666666666667 0.65815716773627 6.941 > 4 37 Li 0.16666666666667 0.33333333333333 0.34184283226373 6.941 > 5 38 Li 0.66666666666667 0.33333333333333 0.34184283226373 6.941 > 5 39 Li 0.16666666666667 0.83333333333333 0.34184283226373 6.941 > 5 40 Li 0.66666666666667 0.83333333333333 0.34184283226373 6.941 > 5 41 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 42 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 43 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 44 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 45 Li 0.16666666666667 0.33333333333333 0.73392317010923 6.941 > 2 46 Li 0.66666666666667 0.33333333333333 0.73392317010923 6.941 > 2 47 Li 0.16666666666667 0.83333333333333 0.73392317010923 6.941 > 2 48 Li 0.66666666666667 0.83333333333333 0.73392317010923 6.941 > 2 49 Li 0.00000000000000 0.00000000000000 0.93274349655744 6.941 > 3 50 Li 0.50000000000000 0.00000000000000 0.93274349655744 6.941 > 3 51 Li 0.00000000000000 0.50000000000000 0.93274349655744 6.941 > 3 52 Li 0.50000000000000 0.50000000000000 0.93274349655744 6.941 > 3 53 Li 0.16666666666667 0.33333333333333 0.99149050106960 6.941 > 4 54 Li 0.66666666666667 0.33333333333333 0.99149050106960 6.941 > 4 55 Li 0.16666666666667 0.83333333333333 0.99149050106960 6.941 > 4 56 Li 0.66666666666667 0.83333333333333 0.99149050106960 6.941 > 4 57 Li 0.00000000000000 0.00000000000000 0.67517616559707 6.941 > 5 58 Li 0.50000000000000 0.00000000000000 0.67517616559707 6.941 > 5 59 Li 0.00000000000000 0.50000000000000 0.67517616559707 6.941 > 5 60 Li 0.50000000000000 0.50000000000000 0.67517616559707 6.941 > 5 *61 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 6 62 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 6 63 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 6 64 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 > 6 65 N 0.33333333333333 0.16666666666667 0.33333333333333 14.007 > 6 66 N 0.83333333333333 0.16666666666667 0.33333333333333 14.007 > 6 67 N 0.33333333333333 0.66666666666667 0.33333333333333 14.007 > 6 68 N 0.83333333333333 0.66666666666667 0.33333333333333 14.007 > 6 69 N 0.16666666666667 0.33333333333333 0.66666666666667 14.007 > 6 70 N 0.66666666666667 0.33333333333333 0.66666666666667 14.007 > 6 71 N 0.16666666666667 0.83333333333333 0.66666666666667 14.007 > 6 72 N 0.66666666666667 0.83333333333333 0.66666666666667 14.007 > 6 *73 Cl 0.33333333333333 0.16666666666667 0.11535441209425 35.453 > 7 74 Cl 0.83333333333333 0.16666666666667 0.11535441209425 35.453 > 7 75 Cl 0.33333333333333 0.66666666666667 0.11535441209425 35.453 > 7 76 Cl 0.83333333333333 0.66666666666667 0.11535441209425 35.453 > 7 77 Cl 0.00000000000000 0.00000000000000 0.21797892123908 35.453 > 8 78 Cl 0.50000000000000 0.00000000000000 0.21797892123908 35.453 > 8 79 Cl 0.00000000000000 0.50000000000000 0.21797892123908 35.453 > 8 80 Cl 0.50000000000000 0.50000000000000 0.21797892123908 35.453 > 8 81 Cl 0.16666666666667 0.33333333333333 0.44868774542759 35.453 > 7 82 Cl 0.66666666666667 0.33333333333333 0.44868774542759 35.453 > 7 83 Cl 0.16666666666667 0.83333333333333 0.44868774542759 35.453 > 7 84 Cl 0.66666666666667 0.83333333333333 0.44868774542759 35.453 > 7 85 Cl 0.33333333333333 0.16666666666667 0.55131225457241 35.453 > 8 86 Cl 0.83333333333333 0.16666666666667 0.55131225457241 35.453 > 8 87 Cl 0.33333333333333 0.66666666666667 0.55131225457241 35.453 > 8 88 Cl 0.83333333333333 0.66666666666667 0.55131225457241 35.453 > 8 89 Cl 0.00000000000000 0.00000000000000 0.78202107876092 35.453 > 7 90 Cl 0.50000000000000 0.00000000000000 0.78202107876092 35.453 > 7 91 Cl 0.00000000000000 0.50000000000000 0.78202107876092 35.453 > 7 92 Cl 0.50000000000000 0.50000000000000 0.78202107876092 35.453 > 7 93 Cl 0.16666666666667 0.33333333333333 0.88464558790575 35.453 > 8 94 Cl 0.66666666666667 0.33333333333333 0.88464558790575 35.453 > 8 95 Cl 0.16666666666667 0.83333333333333 0.88464558790575 35.453 > 8 96 Cl 0.66666666666667 0.83333333333333 0.88464558790575 35.453 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7968648 -0.0000000 0.0000000 0.0000000 3.7968648 0.0000000 0.0000000 0.0000000 3.6839753 -------------------------- Born effective charges -------------------------- 1 Li 1.1837983 -0.0000000 0.0000000 0.0000000 1.1837983 0.0000000 0.0000000 0.0000000 1.3219615 2 Li 1.0001240 -0.0000000 0.0000000 0.0000000 1.0001240 0.0000000 0.0000000 0.0000000 1.0560463 3 Li 1.0001240 -0.0000000 0.0000000 0.0000000 1.0001240 0.0000000 0.0000000 0.0000000 1.0560463 4 Li 0.8636517 -0.0000000 0.0000000 0.0000000 0.8636517 0.0000000 0.0000000 0.0000000 0.4522655 5 Li 0.8636517 -0.0000000 0.0000000 0.0000000 0.8636517 0.0000000 0.0000000 0.0000000 0.4522655 6 N -2.5871092 -0.0000000 0.0000000 0.0000000 -2.5871092 0.0000000 0.0000000 0.0000000 -1.5964274 7 Cl -1.1621203 0.0000000 0.0000000 0.0000000 -1.1621203 0.0000000 0.0000000 0.0000000 -1.3710789 8 Cl -1.1621203 0.0000000 0.0000000 0.0000000 -1.1621203 0.0000000 0.0000000 0.0000000 -1.3710789 ---------------------------------------------------------------------------- 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: 4632/4632 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 383 Number of blocks in projector: 424 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: 171 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 114 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 98 Use standard eigh solver. Tree of FC basis block matrices: - (383, 373), data: False |-- (98, 98), data: True |-- (114, 109), data: True |-- (171, 166), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.209 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.216 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 4632/4632 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 383 Number of blocks in projector: 424 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: 171 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 114 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 98 Use standard eigh solver. Tree of FC basis block matrices: - (383, 373), data: False |-- (98, 98), data: True |-- (114, 109), data: True |-- (171, 166), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:53:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:53:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [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 1.801107599329169 1.039869957312175 9.443617169999989 b -1.801107599329166 1.039869957312175 9.443617169999989 c 0.000000000000002 -2.079739914624352 9.443617169999989 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 Li 0.06725650344256 0.06725650344257 0.06725650344256 6.941 3 Li 0.93274349655743 0.93274349655743 0.93274349655744 6.941 4 Li 0.32482383440293 0.32482383440293 0.32482383440293 6.941 5 Li 0.67517616559707 0.67517616559707 0.67517616559707 6.941 6 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 7 Cl 0.78202107876092 0.78202107876092 0.78202107876092 35.453 8 Cl 0.21797892123908 0.21797892123908 0.21797892123908 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.204430397316670 0.000000000000000 0.000000000000000 b -3.602215198658336 6.239219743873054 0.000000000000000 c 0.000000000000000 0.000000000000000 28.330851509999999 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.06725650344256 6.941 > 5 6 Li 0.50000000000000 0.00000000000000 0.06725650344256 6.941 > 5 7 Li 0.00000000000000 0.50000000000000 0.06725650344256 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.06725650344256 6.941 > 5 9 Li 0.33333333333333 0.16666666666667 0.26607682989077 6.941 > 9 10 Li 0.83333333333333 0.16666666666667 0.26607682989077 6.941 > 9 11 Li 0.33333333333333 0.66666666666667 0.26607682989077 6.941 > 9 12 Li 0.83333333333333 0.66666666666667 0.26607682989077 6.941 > 9 13 Li 0.00000000000000 0.00000000000000 0.32482383440293 6.941 > 13 14 Li 0.50000000000000 0.00000000000000 0.32482383440293 6.941 > 13 15 Li 0.00000000000000 0.50000000000000 0.32482383440293 6.941 > 13 16 Li 0.50000000000000 0.50000000000000 0.32482383440293 6.941 > 13 17 Li 0.33333333333333 0.16666666666667 0.00850949893040 6.941 > 17 18 Li 0.83333333333333 0.16666666666667 0.00850949893040 6.941 > 17 19 Li 0.33333333333333 0.66666666666667 0.00850949893040 6.941 > 17 20 Li 0.83333333333333 0.66666666666667 0.00850949893040 6.941 > 17 21 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 22 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 23 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 24 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 25 Li 0.33333333333333 0.16666666666667 0.40058983677590 6.941 > 5 26 Li 0.83333333333333 0.16666666666667 0.40058983677590 6.941 > 5 27 Li 0.33333333333333 0.66666666666667 0.40058983677590 6.941 > 5 28 Li 0.83333333333333 0.66666666666667 0.40058983677590 6.941 > 5 29 Li 0.16666666666667 0.33333333333333 0.59941016322410 6.941 > 9 30 Li 0.66666666666667 0.33333333333333 0.59941016322410 6.941 > 9 31 Li 0.16666666666667 0.83333333333333 0.59941016322410 6.941 > 9 32 Li 0.66666666666667 0.83333333333333 0.59941016322410 6.941 > 9 33 Li 0.33333333333333 0.16666666666667 0.65815716773627 6.941 > 13 34 Li 0.83333333333333 0.16666666666667 0.65815716773627 6.941 > 13 35 Li 0.33333333333333 0.66666666666667 0.65815716773627 6.941 > 13 36 Li 0.83333333333333 0.66666666666667 0.65815716773627 6.941 > 13 37 Li 0.16666666666667 0.33333333333333 0.34184283226373 6.941 > 17 38 Li 0.66666666666667 0.33333333333333 0.34184283226373 6.941 > 17 39 Li 0.16666666666667 0.83333333333333 0.34184283226373 6.941 > 17 40 Li 0.66666666666667 0.83333333333333 0.34184283226373 6.941 > 17 41 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 42 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 43 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 44 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 45 Li 0.16666666666667 0.33333333333333 0.73392317010923 6.941 > 5 46 Li 0.66666666666667 0.33333333333333 0.73392317010923 6.941 > 5 47 Li 0.16666666666667 0.83333333333333 0.73392317010923 6.941 > 5 48 Li 0.66666666666667 0.83333333333333 0.73392317010923 6.941 > 5 49 Li 0.00000000000000 0.00000000000000 0.93274349655744 6.941 > 9 50 Li 0.50000000000000 0.00000000000000 0.93274349655744 6.941 > 9 51 Li 0.00000000000000 0.50000000000000 0.93274349655744 6.941 > 9 52 Li 0.50000000000000 0.50000000000000 0.93274349655744 6.941 > 9 53 Li 0.16666666666667 0.33333333333333 0.99149050106960 6.941 > 13 54 Li 0.66666666666667 0.33333333333333 0.99149050106960 6.941 > 13 55 Li 0.16666666666667 0.83333333333333 0.99149050106960 6.941 > 13 56 Li 0.66666666666667 0.83333333333333 0.99149050106960 6.941 > 13 57 Li 0.00000000000000 0.00000000000000 0.67517616559707 6.941 > 17 58 Li 0.50000000000000 0.00000000000000 0.67517616559707 6.941 > 17 59 Li 0.00000000000000 0.50000000000000 0.67517616559707 6.941 > 17 60 Li 0.50000000000000 0.50000000000000 0.67517616559707 6.941 > 17 61 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 61 62 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 61 63 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 61 64 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 > 61 65 N 0.33333333333333 0.16666666666667 0.33333333333333 14.007 > 61 66 N 0.83333333333333 0.16666666666667 0.33333333333333 14.007 > 61 67 N 0.33333333333333 0.66666666666667 0.33333333333333 14.007 > 61 68 N 0.83333333333333 0.66666666666667 0.33333333333333 14.007 > 61 69 N 0.16666666666667 0.33333333333333 0.66666666666667 14.007 > 61 70 N 0.66666666666667 0.33333333333333 0.66666666666667 14.007 > 61 71 N 0.16666666666667 0.83333333333333 0.66666666666667 14.007 > 61 72 N 0.66666666666667 0.83333333333333 0.66666666666667 14.007 > 61 73 Cl 0.33333333333333 0.16666666666667 0.11535441209425 35.453 > 73 74 Cl 0.83333333333333 0.16666666666667 0.11535441209425 35.453 > 73 75 Cl 0.33333333333333 0.66666666666667 0.11535441209425 35.453 > 73 76 Cl 0.83333333333333 0.66666666666667 0.11535441209425 35.453 > 73 77 Cl 0.00000000000000 0.00000000000000 0.21797892123908 35.453 > 77 78 Cl 0.50000000000000 0.00000000000000 0.21797892123908 35.453 > 77 79 Cl 0.00000000000000 0.50000000000000 0.21797892123908 35.453 > 77 80 Cl 0.50000000000000 0.50000000000000 0.21797892123908 35.453 > 77 81 Cl 0.16666666666667 0.33333333333333 0.44868774542759 35.453 > 73 82 Cl 0.66666666666667 0.33333333333333 0.44868774542759 35.453 > 73 83 Cl 0.16666666666667 0.83333333333333 0.44868774542759 35.453 > 73 84 Cl 0.66666666666667 0.83333333333333 0.44868774542759 35.453 > 73 85 Cl 0.33333333333333 0.16666666666667 0.55131225457241 35.453 > 77 86 Cl 0.83333333333333 0.16666666666667 0.55131225457241 35.453 > 77 87 Cl 0.33333333333333 0.66666666666667 0.55131225457241 35.453 > 77 88 Cl 0.83333333333333 0.66666666666667 0.55131225457241 35.453 > 77 89 Cl 0.00000000000000 0.00000000000000 0.78202107876092 35.453 > 73 90 Cl 0.50000000000000 0.00000000000000 0.78202107876092 35.453 > 73 91 Cl 0.00000000000000 0.50000000000000 0.78202107876092 35.453 > 73 92 Cl 0.50000000000000 0.50000000000000 0.78202107876092 35.453 > 73 93 Cl 0.16666666666667 0.33333333333333 0.88464558790575 35.453 > 77 94 Cl 0.66666666666667 0.33333333333333 0.88464558790575 35.453 > 77 95 Cl 0.16666666666667 0.83333333333333 0.88464558790575 35.453 > 77 96 Cl 0.66666666666667 0.83333333333333 0.88464558790575 35.453 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7968648 -0.0000000 0.0000000 0.0000000 3.7968648 0.0000000 0.0000000 0.0000000 3.6839753 -------------------------- Born effective charges -------------------------- 1 Li 1.1837983 -0.0000000 0.0000000 0.0000000 1.1837983 0.0000000 0.0000000 0.0000000 1.3219615 2 Li 1.0001240 -0.0000000 0.0000000 0.0000000 1.0001240 0.0000000 0.0000000 0.0000000 1.0560463 3 Li 1.0001240 -0.0000000 0.0000000 0.0000000 1.0001240 0.0000000 0.0000000 0.0000000 1.0560463 4 Li 0.8636517 -0.0000000 0.0000000 0.0000000 0.8636517 0.0000000 0.0000000 0.0000000 0.4522655 5 Li 0.8636517 -0.0000000 0.0000000 0.0000000 0.8636517 0.0000000 0.0000000 0.0000000 0.4522655 6 N -2.5871092 -0.0000000 0.0000000 0.0000000 -2.5871092 0.0000000 0.0000000 0.0000000 -1.5964274 7 Cl -1.1621203 0.0000000 0.0000000 0.0000000 -1.1621203 0.0000000 0.0000000 0.0000000 -1.3710789 8 Cl -1.1621203 0.0000000 0.0000000 0.0000000 -1.1621203 0.0000000 0.0000000 0.0000000 -1.3710789 ---------------------------------------------------------------------------- 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[ 5, 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[ 13, 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[ 61, 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: -0.00000003 (xzx) -0.00000003 (xzx) -0.00000003 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:53:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:53:46]------------------------- 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 1.801107599329169 1.039869957312175 9.443617169999989 b -1.801107599329166 1.039869957312175 9.443617169999989 c 0.000000000000002 -2.079739914624352 9.443617169999989 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 Li 0.06725650344256 0.06725650344257 0.06725650344256 6.941 3 Li 0.93274349655743 0.93274349655743 0.93274349655744 6.941 4 Li 0.32482383440293 0.32482383440293 0.32482383440293 6.941 5 Li 0.67517616559707 0.67517616559707 0.67517616559707 6.941 6 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 7 Cl 0.78202107876092 0.78202107876092 0.78202107876092 35.453 8 Cl 0.21797892123908 0.21797892123908 0.21797892123908 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.204430397316670 0.000000000000000 0.000000000000000 b -3.602215198658336 6.239219743873054 0.000000000000000 c 0.000000000000000 0.000000000000000 28.330851509999999 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.06725650344256 6.941 > 5 6 Li 0.50000000000000 0.00000000000000 0.06725650344256 6.941 > 5 7 Li 0.00000000000000 0.50000000000000 0.06725650344256 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.06725650344256 6.941 > 5 9 Li 0.33333333333333 0.16666666666667 0.26607682989077 6.941 > 9 10 Li 0.83333333333333 0.16666666666667 0.26607682989077 6.941 > 9 11 Li 0.33333333333333 0.66666666666667 0.26607682989077 6.941 > 9 12 Li 0.83333333333333 0.66666666666667 0.26607682989077 6.941 > 9 13 Li 0.00000000000000 0.00000000000000 0.32482383440293 6.941 > 13 14 Li 0.50000000000000 0.00000000000000 0.32482383440293 6.941 > 13 15 Li 0.00000000000000 0.50000000000000 0.32482383440293 6.941 > 13 16 Li 0.50000000000000 0.50000000000000 0.32482383440293 6.941 > 13 17 Li 0.33333333333333 0.16666666666667 0.00850949893040 6.941 > 17 18 Li 0.83333333333333 0.16666666666667 0.00850949893040 6.941 > 17 19 Li 0.33333333333333 0.66666666666667 0.00850949893040 6.941 > 17 20 Li 0.83333333333333 0.66666666666667 0.00850949893040 6.941 > 17 21 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 22 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 23 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 24 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 25 Li 0.33333333333333 0.16666666666667 0.40058983677590 6.941 > 5 26 Li 0.83333333333333 0.16666666666667 0.40058983677590 6.941 > 5 27 Li 0.33333333333333 0.66666666666667 0.40058983677590 6.941 > 5 28 Li 0.83333333333333 0.66666666666667 0.40058983677590 6.941 > 5 29 Li 0.16666666666667 0.33333333333333 0.59941016322410 6.941 > 9 30 Li 0.66666666666667 0.33333333333333 0.59941016322410 6.941 > 9 31 Li 0.16666666666667 0.83333333333333 0.59941016322410 6.941 > 9 32 Li 0.66666666666667 0.83333333333333 0.59941016322410 6.941 > 9 33 Li 0.33333333333333 0.16666666666667 0.65815716773627 6.941 > 13 34 Li 0.83333333333333 0.16666666666667 0.65815716773627 6.941 > 13 35 Li 0.33333333333333 0.66666666666667 0.65815716773627 6.941 > 13 36 Li 0.83333333333333 0.66666666666667 0.65815716773627 6.941 > 13 37 Li 0.16666666666667 0.33333333333333 0.34184283226373 6.941 > 17 38 Li 0.66666666666667 0.33333333333333 0.34184283226373 6.941 > 17 39 Li 0.16666666666667 0.83333333333333 0.34184283226373 6.941 > 17 40 Li 0.66666666666667 0.83333333333333 0.34184283226373 6.941 > 17 41 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 42 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 43 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 44 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 45 Li 0.16666666666667 0.33333333333333 0.73392317010923 6.941 > 5 46 Li 0.66666666666667 0.33333333333333 0.73392317010923 6.941 > 5 47 Li 0.16666666666667 0.83333333333333 0.73392317010923 6.941 > 5 48 Li 0.66666666666667 0.83333333333333 0.73392317010923 6.941 > 5 49 Li 0.00000000000000 0.00000000000000 0.93274349655744 6.941 > 9 50 Li 0.50000000000000 0.00000000000000 0.93274349655744 6.941 > 9 51 Li 0.00000000000000 0.50000000000000 0.93274349655744 6.941 > 9 52 Li 0.50000000000000 0.50000000000000 0.93274349655744 6.941 > 9 53 Li 0.16666666666667 0.33333333333333 0.99149050106960 6.941 > 13 54 Li 0.66666666666667 0.33333333333333 0.99149050106960 6.941 > 13 55 Li 0.16666666666667 0.83333333333333 0.99149050106960 6.941 > 13 56 Li 0.66666666666667 0.83333333333333 0.99149050106960 6.941 > 13 57 Li 0.00000000000000 0.00000000000000 0.67517616559707 6.941 > 17 58 Li 0.50000000000000 0.00000000000000 0.67517616559707 6.941 > 17 59 Li 0.00000000000000 0.50000000000000 0.67517616559707 6.941 > 17 60 Li 0.50000000000000 0.50000000000000 0.67517616559707 6.941 > 17 61 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 61 62 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 61 63 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 61 64 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 > 61 65 N 0.33333333333333 0.16666666666667 0.33333333333333 14.007 > 61 66 N 0.83333333333333 0.16666666666667 0.33333333333333 14.007 > 61 67 N 0.33333333333333 0.66666666666667 0.33333333333333 14.007 > 61 68 N 0.83333333333333 0.66666666666667 0.33333333333333 14.007 > 61 69 N 0.16666666666667 0.33333333333333 0.66666666666667 14.007 > 61 70 N 0.66666666666667 0.33333333333333 0.66666666666667 14.007 > 61 71 N 0.16666666666667 0.83333333333333 0.66666666666667 14.007 > 61 72 N 0.66666666666667 0.83333333333333 0.66666666666667 14.007 > 61 73 Cl 0.33333333333333 0.16666666666667 0.11535441209425 35.453 > 73 74 Cl 0.83333333333333 0.16666666666667 0.11535441209425 35.453 > 73 75 Cl 0.33333333333333 0.66666666666667 0.11535441209425 35.453 > 73 76 Cl 0.83333333333333 0.66666666666667 0.11535441209425 35.453 > 73 77 Cl 0.00000000000000 0.00000000000000 0.21797892123908 35.453 > 77 78 Cl 0.50000000000000 0.00000000000000 0.21797892123908 35.453 > 77 79 Cl 0.00000000000000 0.50000000000000 0.21797892123908 35.453 > 77 80 Cl 0.50000000000000 0.50000000000000 0.21797892123908 35.453 > 77 81 Cl 0.16666666666667 0.33333333333333 0.44868774542759 35.453 > 73 82 Cl 0.66666666666667 0.33333333333333 0.44868774542759 35.453 > 73 83 Cl 0.16666666666667 0.83333333333333 0.44868774542759 35.453 > 73 84 Cl 0.66666666666667 0.83333333333333 0.44868774542759 35.453 > 73 85 Cl 0.33333333333333 0.16666666666667 0.55131225457241 35.453 > 77 86 Cl 0.83333333333333 0.16666666666667 0.55131225457241 35.453 > 77 87 Cl 0.33333333333333 0.66666666666667 0.55131225457241 35.453 > 77 88 Cl 0.83333333333333 0.66666666666667 0.55131225457241 35.453 > 77 89 Cl 0.00000000000000 0.00000000000000 0.78202107876092 35.453 > 73 90 Cl 0.50000000000000 0.00000000000000 0.78202107876092 35.453 > 73 91 Cl 0.00000000000000 0.50000000000000 0.78202107876092 35.453 > 73 92 Cl 0.50000000000000 0.50000000000000 0.78202107876092 35.453 > 73 93 Cl 0.16666666666667 0.33333333333333 0.88464558790575 35.453 > 77 94 Cl 0.66666666666667 0.33333333333333 0.88464558790575 35.453 > 77 95 Cl 0.16666666666667 0.83333333333333 0.88464558790575 35.453 > 77 96 Cl 0.66666666666667 0.83333333333333 0.88464558790575 35.453 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7968648 -0.0000000 0.0000000 0.0000000 3.7968648 0.0000000 0.0000000 0.0000000 3.6839753 -------------------------- Born effective charges -------------------------- 1 Li 1.1837983 -0.0000000 0.0000000 0.0000000 1.1837983 0.0000000 0.0000000 0.0000000 1.3219615 2 Li 1.0001240 -0.0000000 0.0000000 0.0000000 1.0001240 0.0000000 0.0000000 0.0000000 1.0560463 3 Li 1.0001240 -0.0000000 0.0000000 0.0000000 1.0001240 0.0000000 0.0000000 0.0000000 1.0560463 4 Li 0.8636517 -0.0000000 0.0000000 0.0000000 0.8636517 0.0000000 0.0000000 0.0000000 0.4522655 5 Li 0.8636517 -0.0000000 0.0000000 0.0000000 0.8636517 0.0000000 0.0000000 0.0000000 0.4522655 6 N -2.5871092 -0.0000000 0.0000000 0.0000000 -2.5871092 0.0000000 0.0000000 0.0000000 -1.5964274 7 Cl -1.1621203 0.0000000 0.0000000 0.0000000 -1.1621203 0.0000000 0.0000000 0.0000000 -1.3710789 8 Cl -1.1621203 0.0000000 0.0000000 0.0000000 -1.1621203 0.0000000 0.0000000 0.0000000 -1.3710789 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xzx) -0.00000003 (xzx) -0.00000003 (xxz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 16 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.88, Number of G-points: 305, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 5.344 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 7.011 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.799 ( 0.000 0.000 0.000) 0.000 8.799 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 12.774 ( 0.000 0.000 0.000) 0.000 12.774 ( 0.000 0.000 0.000) 0.000 14.236 ( 0.000 0.000 0.000) 0.000 17.025 ( 0.000 0.000 0.000) 0.000 17.896 ( 0.000 0.000 0.000) 0.000 17.896 ( 0.000 0.000 0.000) 0.000 19.823 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 31.568 18.226 3.442) 36.613 0.843 ( 34.636 19.997 5.855) 40.421 1.364 ( 54.913 31.704 4.756) 63.586 3.172 ( 0.671 0.388 -3.411) 3.498 3.204 ( 3.121 1.802 -1.700) 3.985 3.755 ( 11.429 6.598 -0.638) 13.212 3.956 ( 25.497 14.721 4.324) 29.757 4.702 ( 3.402 1.964 0.650) 3.982 5.296 ( -3.841 -2.218 2.618) 5.150 6.281 ( -1.619 -0.935 0.246) 1.886 6.963 ( -3.644 -2.104 -0.058) 4.208 7.155 ( 9.982 5.763 -5.175) 12.635 8.025 ( 0.183 0.106 4.210) 4.215 8.042 ( 1.964 1.134 -0.294) 2.287 8.823 ( 2.143 1.237 0.269) 2.489 9.876 ( 2.284 1.319 -9.387) 9.750 10.418 ( 6.678 3.855 8.119) 11.197 12.689 ( -7.189 -4.150 0.017) 8.301 14.185 ( -4.360 -2.517 -0.052) 5.034 15.918 ( -13.483 -7.784 -33.856) 37.264 17.146 ( 5.401 3.118 -2.395) 6.680 17.945 ( 4.054 2.341 -0.000) 4.681 17.957 ( 6.660 3.845 -2.205) 8.000 19.769 ( -8.734 -5.043 21.549) 23.792 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 32.034 18.495 0.680) 36.996 1.605 ( 29.925 17.277 4.649) 34.866 2.513 ( 43.129 24.901 5.235) 50.076 3.183 ( 0.752 0.434 -1.546) 1.773 3.301 ( 5.363 3.096 -1.681) 6.417 4.125 ( 20.202 11.664 -2.128) 23.424 4.723 ( 33.665 19.437 5.664) 39.284 4.823 ( 7.414 4.280 -6.478) 10.736 5.233 ( 1.449 0.837 5.386) 5.640 6.247 ( -1.054 -0.608 1.589) 2.002 6.855 ( -5.245 -3.028 1.817) 6.323 7.447 ( 16.316 9.420 -12.731) 22.738 8.029 ( -1.435 -0.828 9.640) 9.781 8.086 ( 1.610 0.929 -2.140) 2.835 8.904 ( 4.783 2.761 1.317) 5.677 9.885 ( -1.418 -0.819 6.742) 6.938 10.690 ( 16.225 9.367 -6.314) 19.770 12.453 ( -12.851 -7.419 0.030) 14.839 14.040 ( -7.900 -4.561 -0.060) 9.122 15.511 ( -15.727 -9.080 -15.523) 23.890 17.119 ( -7.466 -4.310 -0.369) 8.629 18.075 ( 6.923 3.997 0.002) 7.994 18.213 ( 14.523 8.385 -2.605) 16.971 19.556 ( -12.174 -7.028 9.832) 17.154 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 30.988 17.891 -1.708) 35.822 2.239 ( 24.134 13.934 3.042) 28.033 3.184 ( 3.991 2.304 -5.992) 7.559 3.424 ( 30.899 17.839 12.429) 37.782 3.434 ( 6.211 3.586 -0.974) 7.238 4.646 ( 24.569 14.185 -3.510) 28.586 4.925 ( -2.788 -1.610 -3.009) 4.407 5.051 ( 8.130 4.694 0.042) 9.388 5.791 ( 31.995 18.472 3.730) 37.132 6.258 ( 1.800 1.039 3.838) 4.365 6.785 ( 0.918 0.530 6.102) 6.193 7.758 ( 7.023 4.055 -18.198) 19.923 8.073 ( 9.964 5.753 7.175) 13.560 8.094 ( -0.301 -0.174 -4.325) 4.339 9.047 ( 6.975 4.027 2.266) 8.367 9.848 ( -3.376 -1.949 13.341) 13.899 11.103 ( 19.956 11.522 -7.598) 24.264 12.112 ( -16.253 -9.383 0.039) 18.767 13.833 ( -9.587 -5.535 0.435) 11.078 15.150 ( -12.715 -7.341 -10.427) 18.008 16.846 ( -15.127 -8.733 -0.043) 17.467 18.252 ( 8.174 4.719 0.006) 9.438 18.544 ( 13.400 7.736 -1.354) 15.532 19.271 ( -13.477 -7.781 5.726) 16.582 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 18.674 10.781 1.638) 21.624 2.822 ( 18.520 10.693 -2.622) 21.545 3.338 ( 14.542 8.396 -1.177) 16.833 3.573 ( 5.760 3.325 -0.412) 6.663 4.066 ( 20.187 11.655 7.750) 24.565 4.807 ( -3.969 -2.291 0.795) 4.651 5.212 ( 24.490 14.139 -4.243) 28.595 5.278 ( 10.627 6.135 -4.991) 13.247 6.204 ( 3.814 2.202 0.459) 4.428 6.352 ( 5.379 3.106 5.459) 8.269 7.075 ( 20.279 11.708 11.310) 26.005 7.650 ( -9.236 -5.332 -2.703) 11.002 8.057 ( -1.959 -1.131 -4.703) 5.219 8.549 ( 26.581 15.346 -17.749) 35.455 9.223 ( 7.566 4.368 2.002) 8.963 9.802 ( -3.540 -2.044 21.128) 21.520 11.549 ( 19.664 11.353 -8.578) 24.272 11.719 ( -17.326 -10.003 0.058) 20.006 13.623 ( -8.224 -4.748 2.372) 9.788 14.882 ( -8.686 -5.015 -8.291) 13.013 16.448 ( -18.779 -10.842 -0.133) 21.684 18.442 ( 8.006 4.623 0.011) 9.245 18.800 ( 8.562 4.944 -0.228) 9.890 18.977 ( -12.395 -7.156 3.564) 14.750 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 4.993 2.882 -0.670) 5.804 3.116 ( 13.851 7.997 0.739) 16.011 3.692 ( 4.455 2.572 -0.202) 5.148 3.858 ( 26.224 15.140 -1.534) 30.320 4.244 ( -5.205 -3.005 2.024) 6.342 4.910 ( 12.402 7.160 1.652) 14.415 5.495 ( 8.580 4.954 -3.425) 10.483 5.737 ( 21.134 12.202 -3.547) 24.660 6.193 ( -2.358 -1.362 1.480) 3.099 6.522 ( 8.089 4.670 4.520) 10.377 7.288 ( -10.589 -6.113 2.144) 12.413 7.673 ( 17.708 10.224 4.673) 20.975 7.989 ( -3.176 -1.834 -2.963) 4.715 9.058 ( 17.566 10.142 -15.980) 25.822 9.394 ( 6.719 3.879 0.923) 7.813 9.802 ( 0.577 0.333 18.089) 18.101 11.328 ( -16.144 -9.321 0.115) 18.642 11.967 ( 18.156 10.482 -8.701) 22.699 13.490 ( -3.651 -2.108 5.667) 7.063 14.710 ( -4.800 -2.771 -7.032) 8.953 15.997 ( -19.768 -11.413 -0.297) 22.828 18.615 ( 6.806 3.929 0.014) 7.859 18.710 ( -10.345 -5.972 2.515) 12.207 18.953 ( 4.140 2.390 0.136) 4.783 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 4.823 2.784 0.133) 5.570 3.386 ( 9.452 5.457 0.300) 10.919 3.775 ( 2.733 1.578 -0.216) 3.164 4.026 ( -11.466 -6.620 0.153) 13.241 4.421 ( 21.425 12.370 -1.429) 24.781 5.209 ( 11.353 6.555 -1.492) 13.194 5.651 ( 5.351 3.090 -0.627) 6.211 6.141 ( -2.515 -1.452 2.573) 3.881 6.147 ( 14.034 8.102 -1.545) 16.278 6.750 ( 11.446 6.609 1.618) 13.316 7.014 ( -10.788 -6.228 -0.319) 12.461 7.889 ( -5.344 -3.085 -0.850) 6.229 8.106 ( 17.909 10.340 0.514) 20.686 9.225 ( -1.853 -1.070 13.868) 14.032 9.533 ( 5.164 2.982 0.077) 5.964 9.902 ( 5.678 3.278 -10.761) 12.602 10.990 ( -12.719 -7.343 0.182) 14.687 12.354 ( 16.544 9.551 -5.260) 19.814 13.479 ( 0.956 0.552 7.072) 7.158 14.627 ( -1.157 -0.668 -5.442) 5.603 15.551 ( -18.282 -10.555 -0.526) 21.116 18.509 ( -7.343 -4.239 1.572) 8.623 18.751 ( 4.905 2.832 0.013) 5.664 19.011 ( 1.026 0.592 0.351) 1.235 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 6.168 3.561 0.176) 7.124 3.555 ( 5.048 2.915 0.131) 5.831 3.764 ( -10.477 -6.049 -0.314) 12.102 3.818 ( 1.040 0.600 -0.206) 1.218 4.804 ( 11.231 6.484 -0.109) 12.969 5.393 ( 4.913 2.836 -3.482) 6.656 5.758 ( 4.451 2.570 0.452) 5.159 6.081 ( -3.216 -1.857 2.622) 4.546 6.363 ( 5.264 3.039 -0.469) 6.096 6.831 ( -4.809 -2.777 -0.430) 5.570 7.063 ( 14.753 8.517 0.402) 17.039 7.722 ( -9.174 -5.297 -0.208) 10.596 8.498 ( 16.738 9.664 -8.555) 21.136 9.106 ( -11.301 -6.525 27.115) 30.092 9.630 ( 3.086 1.782 -0.073) 3.564 9.965 ( 2.657 1.534 -18.002) 18.261 10.757 ( -7.179 -4.145 0.138) 8.290 12.682 ( 11.375 6.568 -1.297) 13.199 13.530 ( 1.600 0.924 4.233) 4.619 14.634 ( 2.526 1.458 -2.625) 3.924 15.172 ( -13.747 -7.937 -0.718) 15.890 18.382 ( -3.785 -2.186 0.762) 4.437 18.838 ( 2.562 1.479 0.008) 2.958 19.017 ( -0.216 -0.125 0.269) 0.367 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 0.000 0.000 0.000) 0.000 3.603 ( -0.000 -0.000 -0.000) 0.000 3.615 ( 0.000 0.000 -0.000) 0.000 3.828 ( 0.000 0.000 -0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 -0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.418 ( 0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 0.000) 0.000 7.331 ( -0.000 -0.000 -0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 8.810 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 -0.000) 0.000 9.667 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 10.672 ( 0.000 0.000 0.000) 0.000 12.822 ( 0.000 0.000 0.000) 0.000 13.553 ( 0.000 0.000 0.000) 0.000 14.690 ( 0.000 0.000 -0.000) 0.000 14.979 ( 0.000 0.000 0.000) 0.000 18.339 ( 0.000 0.000 0.000) 0.000 18.868 ( 0.000 0.000 0.000) 0.000 19.013 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -0.000 35.482 10.045) 36.877 0.839 ( -0.000 39.618 4.887) 39.918 1.388 ( -0.000 62.380 11.605) 63.450 3.171 ( 0.000 0.869 -3.860) 3.957 3.178 ( 0.000 3.368 -8.973) 9.584 3.783 ( -0.000 13.742 7.400) 15.608 3.941 ( 0.000 28.748 -0.003) 28.748 4.693 ( 0.000 2.652 -2.258) 3.483 5.300 ( -0.000 -4.895 3.772) 6.180 6.280 ( -0.000 -2.039 -0.104) 2.041 6.960 ( 0.000 -4.579 -0.738) 4.638 7.164 ( 0.000 13.829 -2.508) 14.054 8.020 ( -0.000 -0.296 2.679) 2.695 8.043 ( 0.000 2.492 0.097) 2.494 8.821 ( 0.000 2.306 -0.274) 2.322 9.780 ( 0.000 6.016 -31.699) 32.265 10.500 ( -0.000 3.820 26.612) 26.885 12.689 ( -0.000 -8.305 -0.011) 8.305 14.184 ( -0.000 -5.037 -0.167) 5.039 15.812 ( 0.000 -4.634 -61.707) 61.881 17.138 ( 0.000 6.651 -3.888) 7.703 17.945 ( 0.000 4.682 0.003) 4.682 17.956 ( 0.000 7.811 -2.156) 8.103 19.838 ( -0.000 -16.178 38.652) 41.901 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 17.270 31.193 4.559) 35.945 1.435 ( 19.341 31.841 6.067) 37.746 2.247 ( 25.924 45.130 9.501) 52.906 3.161 ( 0.226 0.034 -4.560) 4.566 3.251 ( 4.486 5.104 -7.258) 9.942 4.034 ( 8.529 19.539 3.926) 21.678 4.495 ( 22.397 34.630 3.015) 41.352 4.760 ( 3.689 6.638 -7.274) 10.516 5.239 ( -1.316 -4.248 4.601) 6.399 6.269 ( 0.359 -0.494 0.007) 0.610 6.878 ( -2.523 -6.277 -0.578) 6.790 7.355 ( 4.870 16.499 -4.906) 17.889 8.008 ( -0.705 -3.297 8.340) 8.996 8.114 ( 2.734 4.799 -0.395) 5.538 8.868 ( 2.426 3.122 0.465) 3.981 9.850 ( 6.508 -0.012 -10.252) 12.143 10.623 ( 2.965 13.340 4.832) 14.494 12.524 ( -6.893 -11.963 0.010) 13.807 14.092 ( -3.805 -6.639 -0.172) 7.654 15.557 ( -7.489 -12.371 -28.818) 32.243 17.173 ( -0.962 -1.928 -1.558) 2.659 17.914 ( 0.098 0.553 0.027) 0.562 18.219 ( 9.673 17.216 -2.801) 19.945 19.669 ( -8.039 -13.446 19.148) 24.740 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 23.483 26.381 0.305) 35.320 2.079 ( 19.292 26.131 4.465) 32.787 3.049 ( 16.104 15.278 -6.168) 23.039 3.224 ( 13.189 12.187 12.130) 21.670 3.393 ( 5.760 7.796 -4.748) 10.794 4.469 ( 15.932 22.102 0.575) 27.252 4.888 ( 5.391 5.672 -9.135) 12.029 5.016 ( 1.585 1.271 7.104) 7.389 5.503 ( 26.896 27.959 3.130) 38.922 6.285 ( 0.111 2.959 0.577) 3.016 6.777 ( -0.987 -5.160 2.203) 5.697 7.619 ( 9.119 12.550 -16.822) 22.884 7.985 ( 0.801 -2.684 14.719) 14.983 8.197 ( -0.468 7.563 -2.973) 8.140 8.975 ( 5.673 3.355 2.896) 7.199 9.904 ( 0.772 -0.480 3.293) 3.416 10.915 ( 13.261 15.556 -4.879) 21.016 12.229 ( -11.256 -14.370 0.048) 18.253 13.924 ( -7.262 -6.981 -0.033) 10.073 15.229 ( -9.985 -11.074 -15.953) 21.837 17.020 ( -11.404 -6.072 -0.217) 12.922 17.979 ( 10.263 -6.467 -0.150) 12.131 18.572 ( 8.428 20.792 -1.771) 22.505 19.402 ( -10.894 -12.361 10.027) 19.288 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 19.766 19.663 1.383) 27.915 2.646 ( 17.457 22.466 -0.814) 28.463 3.167 ( 8.124 -0.064 -5.864) 10.020 3.558 ( 5.256 9.255 -1.926) 10.816 3.864 ( 21.835 19.268 12.286) 31.607 4.849 ( -4.476 -4.967 0.718) 6.725 4.995 ( 17.841 19.389 -0.802) 26.361 5.159 ( 10.175 8.493 -4.471) 13.987 6.131 ( 11.507 11.382 1.305) 16.238 6.341 ( 1.991 4.548 1.460) 5.175 6.886 ( 15.449 7.965 8.685) 19.430 7.675 ( -2.654 -6.552 -5.391) 8.890 8.123 ( 0.127 7.971 -2.200) 8.270 8.323 ( 12.178 16.657 -10.237) 23.034 9.137 ( 7.538 3.462 5.469) 9.936 9.897 ( -2.666 -0.136 12.233) 12.521 11.331 ( 17.518 14.940 -7.657) 24.264 11.867 ( -13.415 -14.291 0.157) 19.601 13.717 ( -8.273 -6.664 0.911) 10.662 14.941 ( -8.227 -8.270 -10.867) 15.943 16.685 ( -18.320 -7.726 -0.018) 19.882 18.114 ( 15.243 -11.871 -0.065) 19.320 18.890 ( 4.355 20.395 -0.675) 20.866 19.105 ( -11.409 -11.011 5.837) 16.896 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 6.388 4.360 -1.247) 7.834 3.028 ( 11.076 16.436 1.870) 19.908 3.495 ( 20.819 10.335 -6.286) 24.078 3.760 ( 7.002 14.939 -0.178) 16.499 4.266 ( 3.617 2.966 7.332) 8.697 4.794 ( 5.953 1.709 2.051) 6.525 5.351 ( 11.165 5.066 -2.718) 12.558 5.562 ( 17.343 19.689 -2.388) 26.347 6.210 ( -1.118 -1.557 0.296) 1.939 6.451 ( 4.834 3.476 2.505) 6.459 7.357 ( 12.374 9.787 7.849) 17.621 7.510 ( -0.181 -4.381 0.983) 4.494 8.092 ( -6.756 5.346 -4.915) 9.919 8.810 ( 20.379 18.059 -16.879) 32.037 9.311 ( 6.990 2.879 4.999) 9.063 9.879 ( -2.737 0.244 16.334) 16.564 11.498 ( -14.034 -11.026 0.393) 17.851 11.767 ( 17.303 14.925 -8.657) 24.436 13.534 ( -5.204 -5.982 3.238) 8.564 14.734 ( -5.059 -5.707 -8.382) 11.332 16.254 ( -21.221 -8.724 -0.095) 22.945 18.252 ( 16.628 -16.294 0.059) 23.281 18.825 ( -10.264 -9.031 3.694) 14.162 19.122 ( -0.610 19.570 -0.109) 19.580 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 5.108 -0.010 -0.041) 5.108 3.343 ( 6.991 13.903 1.246) 15.611 3.764 ( 4.107 6.439 -2.561) 8.055 4.142 ( -9.635 -7.672 2.483) 12.564 4.215 ( 20.043 20.302 -4.129) 28.826 5.052 ( 13.047 5.362 2.497) 14.325 5.552 ( 8.147 2.348 -0.751) 8.512 6.016 ( 13.625 14.511 -1.478) 19.960 6.171 ( -1.004 -0.265 1.872) 2.140 6.572 ( 7.571 -2.313 2.574) 8.325 7.230 ( -11.742 1.641 -2.351) 12.087 7.878 ( 18.510 8.768 3.002) 20.701 8.008 ( -7.099 3.758 -2.004) 8.279 9.179 ( 9.041 3.415 4.803) 10.792 9.447 ( 5.532 2.013 -3.690) 6.948 9.896 ( 0.066 4.268 3.213) 5.343 11.175 ( -13.795 -4.832 0.353) 14.621 12.192 ( 15.826 15.942 -6.395) 23.356 13.447 ( 0.708 -5.479 5.200) 7.587 14.615 ( -1.531 -3.475 -6.502) 7.530 15.793 ( -21.100 -9.032 -0.223) 22.953 18.357 ( 16.404 -20.304 0.120) 26.103 18.593 ( -7.917 -6.833 2.379) 10.725 19.266 ( -5.131 19.530 0.124) 20.193 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 6.941 -0.241 0.466) 6.961 3.554 ( 2.868 10.636 0.756) 11.042 3.817 ( -3.986 -2.368 -0.074) 4.637 3.918 ( -6.961 1.408 -0.444) 7.115 4.701 ( 13.948 16.247 -3.698) 21.730 5.283 ( 9.067 1.313 -0.056) 9.162 5.678 ( 5.702 -0.379 0.326) 5.724 6.107 ( -1.597 -2.824 2.500) 4.096 6.347 ( 5.004 11.554 -0.312) 12.595 6.672 ( 8.746 -8.614 4.228) 12.983 7.137 ( -3.784 12.064 -6.149) 14.059 7.889 ( -10.477 3.254 1.981) 11.148 8.267 ( 17.199 7.021 -7.062) 19.874 9.216 ( -3.295 -10.289 26.695) 28.798 9.515 ( 3.814 -2.936 -3.954) 6.229 9.977 ( 1.611 10.407 -14.235) 17.707 10.931 ( -12.554 2.098 -0.004) 12.728 12.592 ( 12.089 15.690 -2.091) 19.917 13.452 ( 4.586 -6.252 3.462) 8.491 14.586 ( 2.332 -1.025 -3.948) 4.698 15.360 ( -18.000 -8.490 -0.321) 19.904 18.412 ( 11.459 -19.301 -0.093) 22.447 18.431 ( -0.639 -8.691 1.614) 8.863 19.344 ( -8.454 19.886 0.128) 21.609 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 7.273 -1.232 0.556) 7.398 3.610 ( -4.172 -4.980 0.673) 6.531 3.681 ( -2.768 5.808 0.394) 6.446 3.914 ( -4.064 8.534 -0.519) 9.466 4.969 ( 2.053 10.340 -3.064) 10.979 5.393 ( 4.185 -1.805 0.819) 4.630 5.765 ( 5.553 -2.081 -0.343) 5.940 6.039 ( -2.358 -3.325 2.236) 4.649 6.469 ( -1.154 7.672 -0.153) 7.759 6.700 ( 3.726 -7.287 1.258) 8.280 7.291 ( 6.280 9.004 -2.922) 11.360 7.720 ( -13.523 6.339 1.835) 15.048 8.589 ( 15.899 5.191 -17.872) 24.477 9.022 ( -10.814 -12.985 22.717) 28.313 9.525 ( 5.088 -8.543 0.514) 9.957 10.076 ( -1.034 11.739 -5.145) 12.858 10.792 ( -8.795 7.735 0.083) 11.713 12.866 ( 2.377 11.514 -0.101) 11.757 13.468 ( 4.805 -8.021 -0.642) 9.372 14.652 ( 4.639 1.215 -1.048) 4.908 15.032 ( -9.665 -5.671 -0.002) 11.206 18.341 ( -1.383 -2.132 0.506) 2.591 18.438 ( 15.079 -25.320 0.085) 29.470 19.377 ( -10.605 19.917 0.032) 22.564 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( -2.709 -6.999 0.334) 7.513 3.611 ( 6.229 1.008 0.819) 6.363 3.679 ( -3.672 5.161 0.030) 6.334 3.917 ( -5.192 8.058 0.278) 9.590 4.968 ( -9.308 3.601 -3.492) 10.573 5.409 ( -0.077 -4.081 5.355) 6.733 5.767 ( -1.144 -5.814 0.171) 5.928 6.027 ( 3.254 -0.065 -1.295) 3.503 6.471 ( -5.899 4.896 0.312) 7.672 6.690 ( 3.927 -8.045 -1.928) 9.157 7.311 ( -10.497 1.172 3.193) 11.034 7.708 ( 1.371 13.618 -1.734) 13.796 8.672 ( -12.331 -11.525 2.810) 17.110 8.876 ( 11.846 1.663 -16.087) 20.047 9.534 ( 5.308 -8.461 2.613) 10.324 10.132 ( -5.638 8.286 11.382) 15.165 10.792 ( -2.292 11.472 -0.066) 11.699 12.866 ( -10.804 3.533 -0.142) 11.368 13.457 ( 3.762 -8.233 -3.940) 9.872 14.660 ( -2.666 -3.000 1.156) 4.177 15.034 ( 9.883 5.473 0.731) 11.321 18.339 ( 2.283 0.057 -0.157) 2.289 18.437 ( 14.360 -25.808 -0.141) 29.535 19.377 ( -11.980 19.140 -0.079) 22.580 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( -3.293 -6.240 -0.137) 7.057 3.551 ( -10.704 2.601 -0.189) 11.017 3.819 ( 4.557 2.368 0.568) 5.167 3.922 ( 1.505 6.950 0.924) 7.171 4.705 ( -20.001 -3.433 -2.359) 20.430 5.304 ( -6.930 -8.010 5.979) 12.163 5.676 ( -2.405 -4.976 -0.134) 5.529 6.090 ( 3.370 0.211 -2.473) 4.186 6.353 ( -12.581 1.464 1.206) 12.723 6.647 ( 3.625 -12.830 -3.581) 13.804 7.170 ( -9.734 10.927 3.803) 15.120 7.880 ( 3.427 9.854 -0.728) 10.458 8.293 ( -16.525 -12.021 0.214) 20.436 9.056 ( 11.664 -1.282 -20.728) 23.819 9.540 ( 0.988 -3.495 3.637) 5.140 10.076 ( -10.498 1.845 15.496) 18.808 10.931 ( 4.385 11.931 0.021) 12.711 12.608 ( -18.324 -2.338 2.840) 18.689 13.416 ( 2.405 -7.000 -7.429) 10.487 14.612 ( 0.590 -2.274 3.653) 4.343 15.363 ( 16.342 11.210 0.639) 19.828 18.413 ( 10.729 -18.956 0.100) 21.782 18.422 ( 7.823 -4.568 -1.156) 9.132 19.343 ( -13.025 17.293 -0.143) 21.650 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( -2.262 -4.471 -0.388) 5.025 3.338 ( -15.623 0.558 -0.435) 15.639 3.777 ( -7.467 1.013 1.331) 7.652 4.121 ( 5.295 1.659 -3.854) 6.756 4.238 ( -21.865 -5.010 2.780) 22.603 5.048 ( -12.482 -9.461 1.454) 15.730 5.561 ( -5.361 -6.047 1.843) 8.289 6.030 ( -18.725 -4.802 2.680) 19.516 6.158 ( 0.896 1.020 -2.128) 2.524 6.552 ( -1.800 -7.396 -3.319) 8.304 7.239 ( 2.913 11.391 0.517) 11.769 7.851 ( -17.603 -11.929 -5.127) 21.874 8.028 ( 0.458 8.473 3.879) 9.330 9.136 ( 3.893 -5.877 -7.647) 10.401 9.480 ( -7.817 -1.786 5.541) 9.746 9.884 ( -11.829 -0.831 -0.454) 11.867 11.173 ( 11.090 9.326 -0.406) 14.496 12.237 ( -20.572 -5.592 6.927) 22.415 13.405 ( 4.830 -2.648 -7.309) 9.152 14.653 ( 4.498 -0.400 5.003) 6.739 15.795 ( 18.333 13.669 0.410) 22.872 18.356 ( 9.423 -24.404 -0.140) 26.160 18.580 ( 9.510 3.328 -1.513) 10.188 19.265 ( -14.338 14.260 -0.090) 20.222 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -6.972 -3.423 0.446) 7.780 3.020 ( -19.105 -1.623 -0.595) 19.183 3.522 ( -20.302 -11.666 1.839) 23.487 3.748 ( -15.056 1.190 -3.604) 15.527 4.239 ( -7.281 -2.569 -0.483) 7.736 4.785 ( -3.977 -4.164 -0.864) 5.822 5.372 ( -9.292 -7.745 3.560) 12.609 5.582 ( -25.245 -5.905 3.561) 26.170 6.205 ( 2.226 0.542 -1.281) 2.625 6.430 ( -5.978 -1.133 -3.764) 7.154 7.307 ( -18.855 -6.640 -6.908) 21.150 7.502 ( 6.963 -1.286 -1.403) 7.219 8.129 ( -1.389 9.301 6.098) 11.208 8.928 ( -23.022 -9.708 18.557) 31.123 9.269 ( -6.108 -7.525 -7.429) 12.212 9.772 ( -1.529 5.804 -15.672) 16.782 11.495 ( 16.720 6.503 -0.354) 17.944 11.820 ( -21.280 -8.078 7.450) 23.950 13.511 ( 8.595 2.353 -3.749) 9.668 14.781 ( 8.276 1.497 5.407) 9.999 16.255 ( 18.130 13.955 0.225) 22.880 18.252 ( 5.843 -22.554 -0.036) 23.299 18.805 ( 12.396 4.211 -2.133) 13.265 19.123 ( -16.517 10.355 0.168) 19.495 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -26.489 -6.610 -0.970) 27.319 2.656 ( -29.284 -5.029 1.848) 29.771 3.186 ( -3.047 -5.923 -0.468) 6.677 3.559 ( -9.972 0.198 -1.539) 10.092 3.810 ( -29.287 -9.387 -3.500) 30.953 4.846 ( 7.211 1.585 -0.119) 7.385 5.008 ( -26.104 -7.323 3.160) 27.295 5.183 ( -12.530 -5.163 2.825) 13.843 6.123 ( -16.559 -4.473 -1.075) 17.186 6.328 ( -5.290 2.363 -2.368) 6.259 6.832 ( -13.837 -7.802 -7.668) 17.639 7.698 ( 10.959 -0.374 1.741) 11.102 8.147 ( -8.587 1.409 5.317) 10.197 8.396 ( -25.243 -3.721 11.251) 27.886 9.099 ( -4.843 -6.114 -5.694) 9.657 9.816 ( 1.730 6.298 -12.008) 13.670 11.375 ( -21.548 -8.720 5.663) 23.925 11.866 ( 19.146 4.448 -0.093) 19.656 13.710 ( 10.326 4.247 -1.024) 11.213 14.996 ( 12.560 3.047 5.419) 14.015 16.685 ( 15.836 11.971 0.075) 19.852 18.114 ( 2.707 -19.140 0.091) 19.330 18.894 ( -19.511 6.552 0.252) 20.584 19.077 ( 14.251 4.002 -2.363) 14.990 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -34.932 -7.546 0.234) 35.739 2.061 ( -33.388 -3.747 -1.080) 33.615 3.079 ( -38.483 -9.057 1.696) 39.571 3.164 ( 0.039 -1.725 -4.522) 4.840 3.409 ( -9.009 -0.142 0.074) 9.010 4.474 ( -27.281 -4.438 2.040) 27.715 4.942 ( -6.535 -2.161 7.239) 9.989 4.971 ( -3.155 -0.849 -6.375) 7.163 5.484 ( -38.090 -8.208 -2.376) 39.037 6.279 ( -2.841 2.607 -1.276) 4.062 6.761 ( 5.781 -0.251 -2.586) 6.338 7.732 ( -20.003 -4.997 15.986) 26.090 7.895 ( 5.893 -3.028 -10.834) 12.700 8.214 ( -7.750 4.216 1.989) 9.044 8.958 ( -4.881 -2.921 -1.999) 6.029 9.873 ( 0.848 3.530 -5.998) 7.011 10.945 ( -20.040 -5.833 3.872) 21.228 12.229 ( 18.083 2.569 -0.024) 18.265 13.924 ( 9.774 2.902 -0.105) 10.197 15.299 ( 17.127 3.279 4.743) 18.071 17.021 ( 11.063 6.917 0.017) 13.047 17.980 ( 0.520 -12.218 0.162) 12.230 18.580 ( -21.806 3.099 0.677) 22.035 19.359 ( 14.365 2.772 -2.652) 14.868 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -36.844 -0.000 0.000) 36.844 1.414 ( -37.908 -0.000 0.000) 37.908 2.215 ( -53.137 -0.000 0.000) 53.137 3.176 ( 0.596 0.000 -0.000) 0.596 3.276 ( -6.126 -0.000 0.000) 6.126 4.021 ( -21.634 -0.000 0.000) 21.634 4.484 ( -41.519 -0.000 0.000) 41.519 4.784 ( -7.334 -0.000 0.000) 7.334 5.223 ( 3.809 0.000 -0.000) 3.809 6.269 ( 0.168 0.000 -0.000) 0.168 6.880 ( 6.737 0.000 -0.000) 6.737 7.372 ( -17.209 -0.000 0.000) 17.209 7.979 ( 4.050 0.000 -0.000) 4.050 8.116 ( -5.798 -0.000 0.000) 5.798 8.867 ( -3.769 -0.000 0.000) 3.769 9.885 ( -0.293 -0.000 0.000) 0.293 10.606 ( -15.708 -0.000 0.000) 15.708 12.524 ( 13.809 0.000 -0.000) 13.809 14.092 ( 7.659 0.000 -0.000) 7.659 15.657 ( 20.483 0.000 -0.000) 20.483 17.179 ( 2.709 0.000 -0.000) 2.709 17.914 ( -0.527 -0.000 0.000) 0.527 18.229 ( -19.432 -0.000 0.000) 19.432 19.601 ( 11.754 0.000 -0.000) 11.754 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -0.000 35.831 5.349) 36.228 1.610 ( -0.000 34.676 5.512) 35.111 2.545 ( -0.000 47.411 9.816) 48.417 3.162 ( 0.000 0.771 -4.656) 4.720 3.236 ( 0.000 6.585 -10.519) 12.410 4.198 ( -0.000 23.419 7.675) 24.645 4.677 ( 0.000 33.790 -1.532) 33.825 4.821 ( 0.000 18.413 -6.153) 19.414 5.215 ( -0.000 -2.130 2.931) 3.624 6.232 ( 0.000 -2.272 -0.581) 2.346 6.822 ( 0.000 -7.844 -2.851) 8.346 7.543 ( 0.000 23.196 -0.602) 23.204 8.023 ( -0.000 -1.979 10.442) 10.628 8.105 ( -0.000 3.129 0.565) 3.179 8.890 ( 0.000 4.785 -0.706) 4.837 9.726 ( 0.000 -1.241 -15.745) 15.794 10.779 ( -0.000 16.271 6.107) 17.379 12.453 ( -0.000 -14.838 -0.005) 14.838 14.039 ( -0.000 -9.196 -0.293) 9.200 15.426 ( 0.000 -13.002 -26.391) 29.420 17.113 ( 0.000 -8.180 -0.922) 8.232 18.075 ( 0.000 7.995 0.009) 7.995 18.210 ( 0.000 17.059 -2.649) 17.264 19.625 ( -0.000 -17.165 18.219) 25.032 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 9.905 33.040 1.498) 34.525 2.091 ( 13.376 30.384 5.493) 33.650 3.010 ( 4.723 13.499 -7.655) 16.221 3.238 ( 5.902 21.148 9.766) 24.030 3.357 ( 6.749 10.443 -6.148) 13.871 4.527 ( 7.099 26.565 5.449) 28.032 4.876 ( 2.283 9.681 -8.184) 12.881 5.034 ( -0.419 0.843 6.560) 6.627 5.468 ( 14.656 37.765 0.094) 40.509 6.256 ( 4.174 -0.239 -1.934) 4.606 6.728 ( -0.751 -6.728 -2.159) 7.106 7.693 ( -4.522 13.618 -11.211) 18.209 8.041 ( -0.631 5.981 21.666) 22.485 8.212 ( 5.542 5.475 -2.395) 8.150 8.951 ( 1.690 4.729 1.020) 5.124 9.768 ( 9.247 -3.972 -9.522) 13.855 10.976 ( 1.754 20.146 0.770) 20.236 12.229 ( -6.797 -16.942 0.030) 18.255 13.921 ( -2.281 -10.105 -0.314) 10.364 15.202 ( -4.944 -12.246 -17.909) 22.252 17.018 ( 0.522 -12.752 -0.291) 12.766 17.981 ( -10.835 5.661 0.032) 12.224 18.570 ( 13.507 17.810 -1.778) 22.423 19.431 ( -5.925 -16.424 12.160) 21.277 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 15.766 26.950 -0.253) 31.224 2.636 ( 13.962 26.653 2.583) 30.199 3.051 ( 2.972 -0.116 -8.820) 9.308 3.526 ( 8.326 9.555 -4.296) 13.382 3.805 ( 14.125 26.787 13.368) 33.102 4.868 ( -3.224 -4.550 0.722) 5.623 4.977 ( 10.198 23.404 4.794) 25.976 5.105 ( 5.513 11.042 -3.651) 12.870 6.081 ( 11.831 19.682 1.752) 23.031 6.338 ( 3.842 3.661 -4.097) 6.705 6.749 ( 9.055 5.902 3.549) 11.376 7.636 ( -2.732 -4.661 -7.019) 8.857 8.224 ( 1.256 14.271 9.507) 17.194 8.359 ( 3.124 16.047 -8.816) 18.574 9.062 ( 5.782 2.984 7.766) 10.132 9.865 ( 6.841 -3.908 -0.971) 7.938 11.266 ( 8.238 20.968 -3.434) 22.788 11.908 ( -9.742 -16.962 0.184) 19.561 13.755 ( -5.064 -9.958 -0.127) 11.172 14.954 ( -6.556 -9.755 -12.193) 16.936 16.838 ( -7.332 -12.600 0.048) 14.578 17.883 ( -1.649 -2.660 0.063) 3.130 18.956 ( 10.157 17.228 -0.988) 20.023 19.170 ( -8.414 -13.864 7.595) 17.908 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 5.103 6.308 -1.132) 8.193 3.028 ( 11.529 18.659 2.129) 22.037 3.288 ( 16.766 19.869 -8.993) 27.509 3.771 ( 8.453 12.162 -0.916) 14.839 4.251 ( 7.342 11.945 10.526) 17.533 4.748 ( -0.778 -3.277 1.496) 3.685 5.256 ( 6.706 8.883 0.029) 11.130 5.502 ( 14.141 23.593 0.788) 27.517 6.199 ( -0.152 -2.650 -1.711) 3.158 6.434 ( 2.306 4.062 -2.103) 5.122 7.184 ( 19.130 16.243 8.428) 26.473 7.513 ( -2.933 -7.035 -2.278) 7.955 8.266 ( -6.114 7.328 -6.735) 11.680 8.703 ( 11.710 23.049 -8.452) 27.199 9.233 ( 7.224 3.152 11.513) 13.953 9.916 ( 2.041 -1.764 4.871) 5.567 11.579 ( -8.797 -12.913 0.254) 15.627 11.656 ( 12.250 20.066 -5.751) 24.203 13.558 ( -5.706 -9.922 0.941) 11.484 14.740 ( -5.352 -7.134 -8.833) 12.552 16.512 ( -16.558 -10.251 0.151) 19.475 17.867 ( 7.711 -11.914 0.079) 14.192 18.894 ( -8.639 -11.935 4.532) 15.415 19.270 ( 5.301 17.184 -0.155) 17.984 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 3.616 -0.890 -0.004) 3.724 3.402 ( 7.183 18.999 2.473) 20.461 3.724 ( 10.825 15.144 -8.832) 20.604 4.100 ( 12.843 14.747 1.210) 19.592 4.241 ( -6.662 -2.969 0.732) 7.330 4.902 ( 10.847 6.375 4.569) 13.385 5.451 ( 6.958 5.143 1.625) 8.804 5.956 ( 11.696 18.176 0.573) 21.621 6.165 ( 1.487 -1.594 0.258) 2.195 6.482 ( 1.623 -0.624 0.038) 1.739 7.378 ( -5.306 -0.993 -5.792) 7.917 7.660 ( 17.107 9.771 4.287) 20.162 8.200 ( -7.930 7.731 -2.409) 11.334 9.052 ( 10.383 3.190 7.220) 13.043 9.412 ( 4.080 10.790 -4.445) 12.362 9.938 ( 0.502 1.082 3.531) 3.727 11.328 ( -8.685 -5.084 1.116) 10.125 12.093 ( 14.809 20.856 -6.121) 26.301 13.385 ( -2.175 -10.720 2.721) 11.271 14.592 ( -2.674 -4.914 -6.587) 8.642 16.084 ( -21.181 -8.560 0.117) 22.845 17.891 ( 12.404 -19.092 0.148) 22.768 18.654 ( -7.559 -9.199 2.908) 12.256 19.491 ( 0.647 16.796 0.026) 16.808 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 5.476 -1.101 1.004) 5.675 3.660 ( 1.557 16.113 1.593) 16.266 3.870 ( -4.355 -1.955 -0.268) 4.782 4.039 ( -3.361 4.384 -2.367) 6.010 4.607 ( 16.744 20.455 -6.171) 27.145 5.136 ( 9.370 1.795 4.159) 10.408 5.583 ( 4.373 0.337 1.339) 4.586 6.091 ( 0.609 -2.193 0.334) 2.300 6.391 ( 8.399 16.049 2.679) 18.311 6.493 ( 3.380 -5.009 3.877) 7.179 7.280 ( -4.859 4.200 -11.456) 13.134 8.008 ( 14.408 4.252 -7.605) 16.838 8.154 ( -7.705 10.346 8.433) 15.411 9.136 ( 3.312 -13.535 21.209) 25.377 9.517 ( -2.889 7.086 -5.414) 9.374 10.006 ( 3.593 8.245 -9.458) 13.051 11.177 ( -9.797 5.668 0.363) 11.324 12.543 ( 13.846 19.992 -2.670) 24.464 13.289 ( 3.446 -12.367 2.320) 13.046 14.526 ( 1.048 -2.578 -4.382) 5.191 15.629 ( -21.594 -7.312 0.089) 22.798 17.907 ( 14.278 -24.099 0.149) 28.011 18.467 ( -5.411 -6.477 1.798) 8.629 19.634 ( -3.412 16.701 0.074) 17.046 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 7.156 -1.067 1.254) 7.343 3.641 ( -7.029 -9.040 1.421) 11.539 3.822 ( -2.630 12.461 0.563) 12.748 4.101 ( -3.917 13.779 -1.622) 14.416 5.010 ( 8.615 15.967 -9.181) 20.333 5.282 ( 6.418 -1.528 5.995) 8.914 5.635 ( 4.633 -3.808 -0.217) 6.001 6.046 ( -2.149 -4.342 2.262) 5.347 6.534 ( 4.917 -3.278 3.883) 7.071 6.616 ( -0.010 11.076 1.023) 11.123 7.274 ( 2.483 4.121 -8.841) 10.066 8.052 ( -12.225 11.107 4.971) 17.249 8.326 ( 14.530 3.121 -13.170) 19.858 9.042 ( -2.484 -14.161 17.758) 22.848 9.447 ( -4.063 -5.054 4.559) 7.927 10.166 ( 3.315 13.497 -9.207) 16.671 11.090 ( -11.593 13.632 0.005) 17.895 12.924 ( 8.190 15.916 0.709) 17.913 13.245 ( 6.451 -14.761 -1.641) 16.193 14.566 ( 5.396 0.740 -1.907) 5.771 15.214 ( -17.843 -5.536 0.211) 18.683 17.906 ( 15.269 -26.975 0.016) 30.996 18.348 ( -2.572 -3.946 0.982) 4.812 19.712 ( -6.624 16.494 0.040) 17.774 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 2.351 -4.607 1.089) 5.286 3.504 ( 2.355 -4.322 1.412) 5.121 3.863 ( -6.354 10.596 -0.141) 12.356 4.141 ( -7.313 13.705 0.176) 15.536 5.142 ( -3.905 7.343 -11.275) 14.011 5.364 ( 2.252 -1.666 10.814) 11.171 5.677 ( 4.260 -6.299 -0.106) 7.605 5.977 ( 0.249 -3.212 0.773) 3.313 6.549 ( 1.834 -7.996 -1.701) 8.378 6.667 ( -5.852 11.761 0.622) 13.151 7.365 ( 4.028 0.163 1.615) 4.343 7.958 ( -11.673 14.150 -1.073) 18.374 8.543 ( 11.603 -1.277 -21.999) 24.904 8.850 ( -8.378 -10.157 14.673) 19.714 9.378 ( 3.381 -6.458 3.838) 8.239 10.311 ( -1.535 11.248 5.072) 12.434 11.053 ( -10.219 17.471 -0.127) 20.240 13.067 ( -5.083 4.425 -4.827) 8.290 13.231 ( 8.583 -11.754 0.656) 14.568 14.663 ( 1.167 -0.658 -0.006) 1.340 14.985 ( -1.667 2.773 0.538) 3.280 17.902 ( 15.953 -27.728 -0.193) 31.990 18.304 ( 0.711 -1.719 0.334) 1.890 19.737 ( -9.078 15.690 -0.018) 18.127 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -2.918 -7.178 0.452) 7.761 3.641 ( 10.981 1.406 1.401) 11.159 3.813 ( -9.712 8.143 -0.665) 12.691 4.123 ( -9.391 11.576 1.590) 14.991 4.999 ( -14.761 0.934 -9.402) 17.526 5.334 ( -4.388 -6.971 12.302) 14.805 5.638 ( 0.445 -6.028 0.189) 6.047 6.016 ( 4.501 -0.124 -2.194) 5.009 6.473 ( 1.628 -9.031 -4.593) 10.262 6.620 ( -12.097 7.514 1.199) 14.291 7.390 ( -3.092 2.652 7.884) 8.874 7.971 ( -2.057 13.524 -6.278) 15.051 8.426 ( -11.549 -12.232 -3.724) 17.230 8.797 ( 7.888 -3.083 -10.801) 13.726 9.458 ( 7.207 0.499 3.758) 8.143 10.322 ( -9.475 4.709 13.576) 17.212 11.088 ( -5.870 16.722 -0.231) 17.723 12.901 ( -13.182 -1.161 -2.877) 13.542 13.233 ( 4.688 -10.768 -3.109) 12.149 14.592 ( -1.931 -4.022 1.836) 4.825 15.216 ( 13.840 12.486 0.468) 18.645 17.904 ( 15.690 -26.754 -0.329) 31.017 18.339 ( 4.213 0.083 -0.214) 4.219 19.712 ( -11.006 13.995 -0.059) 17.805 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -1.714 -5.622 -0.373) 5.890 3.644 ( -15.105 6.199 -0.737) 16.344 3.876 ( 7.142 2.527 1.005) 7.643 4.074 ( -5.623 7.651 2.657) 9.860 4.614 ( -24.202 -4.600 -5.484) 25.238 5.150 ( -9.232 -9.064 6.524) 14.489 5.577 ( -2.429 -4.673 0.459) 5.287 6.074 ( 2.704 -0.444 -2.272) 3.560 6.355 ( -12.012 -5.550 -1.904) 13.369 6.480 ( -2.529 1.153 0.927) 2.930 7.381 ( -4.805 7.633 3.035) 9.516 8.030 ( -14.359 -7.536 -5.202) 17.030 8.118 ( -0.102 8.172 3.733) 8.984 8.878 ( 10.439 -7.677 -15.372) 20.105 9.593 ( 0.925 6.552 5.112) 8.362 10.134 ( -16.055 -1.905 9.533) 18.768 11.169 ( -0.255 10.564 -0.839) 10.600 12.588 ( -21.270 -1.406 4.138) 21.715 13.223 ( 8.058 -8.140 -7.377) 13.624 14.577 ( 3.185 -2.422 2.886) 4.934 15.631 ( 17.151 14.833 0.389) 22.678 17.904 ( 13.766 -24.417 -0.302) 28.032 18.450 ( 7.713 1.322 -0.658) 7.853 19.633 ( -12.767 11.340 -0.052) 17.076 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -0.344 -3.487 -0.664) 3.566 3.379 ( -20.282 2.914 -0.966) 20.514 3.821 ( -16.349 1.954 5.568) 17.382 4.035 ( -17.714 -4.164 -7.635) 19.734 4.260 ( 0.885 2.106 2.472) 3.366 4.877 ( -12.382 -7.246 1.133) 14.391 5.450 ( -6.560 -5.083 1.318) 8.403 5.957 ( -20.882 -3.041 0.942) 21.123 6.155 ( 1.941 -0.661 -1.388) 2.476 6.482 ( -0.628 0.541 -0.079) 0.833 7.408 ( 0.823 5.538 -1.628) 5.830 7.601 ( -20.904 -9.634 -3.629) 23.301 8.270 ( -0.053 11.831 7.598) 14.061 8.936 ( 9.104 -9.345 -9.286) 16.014 9.499 ( -22.242 -0.323 8.283) 23.737 9.884 ( -7.519 2.029 -4.582) 9.036 11.314 ( 9.109 4.692 -1.015) 10.297 12.172 ( -24.337 -3.692 5.317) 25.183 13.336 ( 11.498 -1.362 -4.417) 12.392 14.658 ( 7.023 -0.663 2.879) 7.619 16.085 ( 17.988 13.863 0.249) 22.712 17.889 ( 10.403 -20.257 -0.160) 22.772 18.627 ( 10.955 1.850 -0.920) 11.148 19.491 ( -14.807 7.866 0.016) 16.767 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -8.781 -1.361 0.082) 8.886 3.010 ( -20.399 0.059 -0.648) 20.409 3.365 ( -27.547 -4.020 1.225) 27.866 3.755 ( -11.976 0.446 -2.518) 12.246 4.180 ( -18.069 -2.134 0.455) 18.200 4.736 ( 3.982 -0.852 -0.239) 4.080 5.264 ( -10.340 -3.394 1.476) 10.982 5.505 ( -26.187 -2.459 0.987) 26.321 6.207 ( 2.152 0.126 -0.557) 2.227 6.446 ( -4.830 2.238 -0.223) 5.327 7.104 ( -25.149 -6.807 -3.299) 26.262 7.520 ( 8.157 1.278 -1.302) 8.359 8.331 ( -5.949 5.839 4.476) 9.461 8.883 ( -23.171 -1.160 16.746) 28.613 9.048 ( -5.351 -7.829 -15.541) 18.206 9.853 ( -1.360 4.503 -4.628) 6.599 11.575 ( 16.773 1.841 -0.413) 16.879 11.717 ( -24.131 -3.911 3.134) 24.646 13.544 ( 12.139 1.457 -1.196) 12.285 14.817 ( 10.636 0.451 2.037) 10.838 16.511 ( 17.164 9.057 0.091) 19.407 17.867 ( 6.519 -12.633 -0.018) 14.216 18.856 ( 13.545 1.495 -0.844) 13.653 19.272 ( -17.391 3.918 0.113) 17.827 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -30.855 -0.000 0.000) 30.855 2.622 ( -31.659 -0.000 0.000) 31.659 3.122 ( -0.155 -0.000 0.000) 0.155 3.545 ( -13.467 -0.000 0.000) 13.467 3.713 ( -29.936 -0.000 0.000) 29.936 4.864 ( 8.149 0.000 -0.000) 8.149 4.942 ( -26.893 -0.000 0.000) 26.893 5.129 ( -12.934 -0.000 0.000) 12.934 6.068 ( -24.632 -0.000 0.000) 24.632 6.367 ( -5.369 -0.000 0.000) 5.369 6.724 ( -7.534 -0.000 0.000) 7.534 7.694 ( 10.778 0.000 -0.000) 10.778 8.138 ( -21.218 -0.000 0.000) 21.218 8.439 ( -17.826 -0.000 0.000) 17.826 8.999 ( -1.686 -0.000 0.000) 1.686 9.872 ( 0.899 0.000 -0.000) 0.899 11.290 ( -22.586 -0.000 0.000) 22.586 11.907 ( 19.671 0.000 -0.000) 19.671 13.756 ( 11.214 0.000 -0.000) 11.214 15.040 ( 14.374 0.000 -0.000) 14.374 16.838 ( 14.686 0.000 -0.000) 14.686 17.882 ( 3.130 0.000 -0.000) 3.130 18.965 ( -20.176 -0.000 0.000) 20.176 19.113 ( 14.888 0.000 -0.000) 14.888 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 0.000 35.231 0.712) 35.238 2.267 ( -0.000 28.216 5.863) 28.819 3.034 ( 0.000 2.434 -12.121) 12.363 3.342 ( 0.000 8.131 -9.229) 12.300 3.537 ( -0.000 35.258 15.375) 38.464 4.756 ( -0.000 28.565 5.930) 29.174 4.921 ( 0.000 1.276 -2.792) 3.070 5.076 ( -0.000 7.045 1.408) 7.185 5.750 ( 0.000 40.281 0.379) 40.282 6.197 ( 0.000 -0.472 -1.616) 1.684 6.676 ( 0.000 -2.255 -3.962) 4.558 7.833 ( 0.000 0.423 -8.352) 8.363 8.159 ( -0.000 1.574 1.373) 2.089 8.241 ( -0.000 23.263 19.679) 30.470 9.006 ( 0.000 7.215 -1.213) 7.317 9.590 ( 0.000 -6.045 -10.926) 12.487 11.182 ( 0.000 21.944 0.195) 21.945 12.112 ( -0.000 -18.744 0.032) 18.744 13.823 ( -0.000 -11.831 -0.449) 11.840 15.087 ( 0.000 -11.322 -15.403) 19.117 16.847 ( -0.000 -17.195 0.026) 17.195 18.252 ( 0.000 9.440 0.018) 9.440 18.541 ( 0.000 15.579 -1.390) 15.641 19.334 ( -0.000 -17.672 10.591) 20.602 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 5.883 27.387 1.370) 28.045 2.697 ( 10.369 27.713 2.922) 29.733 3.020 ( 0.024 3.065 -11.480) 11.882 3.468 ( 6.707 8.758 -7.203) 13.175 3.963 ( 5.231 30.707 14.876) 34.519 4.862 ( -2.356 -6.971 1.640) 7.539 5.113 ( 5.645 28.178 6.011) 29.360 5.182 ( -0.130 14.197 -3.027) 14.517 6.119 ( 4.374 13.829 0.664) 14.519 6.262 ( 6.571 3.073 -3.879) 8.226 6.743 ( 4.185 16.361 -0.212) 16.889 7.672 ( -8.685 -7.304 -2.839) 11.697 8.262 ( 6.594 2.266 1.091) 7.057 8.550 ( 0.297 28.921 3.943) 29.190 9.067 ( -0.020 6.188 4.363) 7.572 9.623 ( 11.365 -6.034 -5.812) 14.119 11.416 ( 1.367 23.428 -1.631) 23.524 11.867 ( -5.656 -18.687 0.168) 19.525 13.692 ( -1.210 -12.337 -0.587) 12.410 14.920 ( -3.566 -9.297 -11.827) 15.461 16.688 ( 2.429 -19.470 0.178) 19.622 18.116 ( -17.888 7.184 0.020) 19.277 18.883 ( 14.872 13.063 -0.769) 19.809 19.146 ( -3.786 -15.510 7.669) 17.712 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 1.360 4.559 -1.324) 4.939 3.005 ( 11.357 19.282 -0.361) 22.381 3.271 ( 12.091 27.389 -6.634) 30.666 3.703 ( 10.728 9.654 -3.323) 14.810 4.327 ( 2.926 15.358 12.152) 19.801 4.753 ( -2.382 -1.755 1.683) 3.404 5.301 ( 0.583 11.946 0.964) 11.999 5.551 ( 9.800 26.332 4.214) 28.411 6.163 ( -0.479 -3.717 -3.657) 5.236 6.402 ( 5.464 3.231 -4.091) 7.552 7.133 ( 11.322 23.768 6.113) 27.027 7.467 ( -3.186 -9.098 -2.870) 10.058 8.372 ( 1.232 5.186 -5.299) 7.516 8.788 ( 1.234 15.416 -5.229) 16.325 9.223 ( 4.828 13.864 14.858) 20.887 9.770 ( 10.823 -3.602 -2.705) 11.723 11.564 ( -5.525 -13.391 -0.702) 14.503 11.725 ( 4.674 22.455 -2.209) 23.043 13.525 ( -3.472 -12.808 -0.459) 13.278 14.739 ( -4.830 -6.929 -8.719) 12.140 16.516 ( -0.812 -19.183 0.319) 19.203 17.867 ( -14.227 0.606 0.062) 14.240 18.902 ( -5.786 -13.622 4.758) 15.546 19.273 ( 11.789 13.038 0.001) 17.578 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 1.204 0.436 -0.120) 1.286 3.426 ( 12.629 18.409 1.162) 22.355 3.712 ( 9.337 23.048 -10.594) 27.031 4.020 ( 12.983 11.687 1.981) 17.580 4.313 ( -6.002 -6.197 2.359) 8.944 4.865 ( 4.388 12.268 5.169) 14.017 5.440 ( 2.731 8.525 4.309) 9.935 5.983 ( 9.915 22.071 5.131) 24.733 6.096 ( 0.397 -5.300 -3.956) 6.626 6.475 ( 0.780 1.671 -2.654) 3.232 7.362 ( 1.953 -3.452 -7.173) 8.197 7.543 ( 9.719 12.304 3.487) 16.063 8.395 ( -4.362 9.580 -4.357) 11.393 8.908 ( 6.926 -6.164 11.322) 14.633 9.519 ( 3.154 24.195 -0.380) 24.402 9.882 ( 5.530 -2.422 -1.541) 6.230 11.368 ( -2.828 -7.306 1.155) 7.919 12.095 ( 9.743 25.129 -4.437) 27.314 13.320 ( -4.131 -14.150 0.630) 14.754 14.586 ( -3.902 -4.811 -6.276) 8.818 16.258 ( -9.193 -15.274 0.412) 17.832 17.656 ( -5.062 -9.084 0.054) 10.399 18.680 ( -6.217 -10.860 3.178) 12.911 19.571 ( 7.396 12.885 0.009) 14.857 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 2.800 0.462 1.665) 3.290 3.779 ( 6.224 16.548 2.108) 17.805 3.921 ( -3.921 -2.102 -0.089) 4.450 4.096 ( 1.247 7.324 -8.259) 11.109 4.513 ( 16.078 18.077 -1.734) 24.254 5.051 ( 4.420 6.312 3.883) 8.629 5.559 ( 1.551 3.718 5.228) 6.600 6.050 ( 1.036 -2.887 -2.765) 4.129 6.341 ( 7.748 6.243 9.097) 13.482 6.503 ( 2.063 9.224 -2.203) 9.705 7.338 ( -1.933 1.184 -14.782) 14.955 7.789 ( 11.590 3.014 -4.599) 12.828 8.427 ( -6.396 13.026 9.887) 17.559 8.951 ( 6.501 -14.843 18.449) 24.555 9.706 ( -7.181 12.952 -6.656) 16.237 9.960 ( 7.321 6.064 -7.361) 12.023 11.340 ( -0.820 5.905 1.311) 6.104 12.519 ( 11.592 22.497 -3.602) 25.562 13.121 ( -0.840 -16.472 1.650) 16.576 14.490 ( -1.150 -2.570 -4.199) 5.055 15.904 ( -16.741 -9.557 0.401) 19.281 17.507 ( 3.828 -18.940 0.057) 19.323 18.491 ( -5.187 -7.912 1.994) 9.669 19.788 ( 2.842 12.781 0.047) 13.093 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 4.632 0.486 2.187) 5.145 3.676 ( -8.442 -11.485 1.601) 14.344 4.002 ( -0.771 15.310 0.817) 15.351 4.273 ( 1.982 15.770 -5.133) 16.703 4.946 ( 12.836 15.765 -9.101) 22.274 5.178 ( 6.582 0.186 7.139) 9.712 5.578 ( -1.199 -0.864 2.056) 2.531 6.030 ( -0.301 -3.976 0.461) 4.014 6.414 ( 4.060 -4.393 7.155) 9.325 6.750 ( 3.852 17.988 0.042) 18.396 7.256 ( -2.275 -0.961 -12.731) 12.968 8.032 ( 15.203 2.704 -11.946) 19.523 8.421 ( -11.354 9.488 13.098) 19.760 8.937 ( 3.435 -11.605 15.334) 19.535 9.548 ( -10.899 -5.262 1.684) 12.219 10.206 ( 6.784 17.995 -11.554) 22.435 11.409 ( -5.795 16.396 0.044) 17.390 12.878 ( 9.893 4.836 3.758) 11.635 12.996 ( 4.884 -9.685 -4.438) 11.720 14.492 ( 3.350 1.162 -2.151) 4.147 15.514 ( -19.925 -3.538 0.361) 20.240 17.404 ( 10.201 -25.998 -0.022) 27.928 18.355 ( -3.247 -5.218 1.160) 6.254 19.928 ( -1.274 12.565 0.037) 12.629 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 4.902 -0.510 1.874) 5.273 3.457 ( -3.881 -8.862 1.491) 9.789 4.089 ( -5.433 13.198 -0.332) 14.276 4.411 ( -4.606 16.803 -0.799) 17.441 5.131 ( 3.554 0.293 -10.928) 11.496 5.376 ( 7.261 5.897 8.316) 12.516 5.550 ( 0.679 -2.652 0.657) 2.815 5.956 ( -2.112 -5.252 1.624) 5.889 6.443 ( 2.343 -5.673 1.521) 6.323 6.904 ( -4.776 15.595 -0.427) 16.316 7.255 ( 5.703 -1.974 -2.509) 6.536 8.246 ( 3.636 -5.290 -9.411) 11.391 8.333 ( -3.421 14.146 -4.887) 15.353 8.895 ( -2.787 -7.353 15.369) 17.263 9.325 ( -4.564 -7.931 3.093) 9.659 10.456 ( 1.586 18.126 -1.513) 18.258 11.444 ( -11.124 20.227 -0.318) 23.086 12.865 ( 7.660 -20.783 -4.260) 22.555 13.147 ( 5.727 3.878 1.411) 7.059 14.606 ( 5.592 3.106 -0.570) 6.422 15.189 ( -15.983 4.861 0.364) 16.710 17.344 ( 14.820 -28.926 -0.209) 32.502 18.282 ( -0.661 -2.911 0.569) 3.038 19.997 ( -4.830 11.764 0.008) 12.717 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -2.772 -5.426 0.996) 6.174 3.459 ( 9.270 -1.164 1.576) 9.475 4.082 ( -9.205 11.003 -0.847) 14.371 4.440 ( -10.352 14.896 1.907) 18.240 5.105 ( -1.793 -3.505 -11.286) 11.953 5.430 ( -6.598 -2.848 11.361) 13.443 5.555 ( 2.107 -2.243 1.198) 3.302 5.931 ( 3.877 -1.014 -0.947) 4.117 6.375 ( -0.926 -7.335 -4.340) 8.573 6.932 ( -10.559 13.520 1.997) 17.270 7.347 ( 7.197 -2.988 5.826) 9.730 8.140 ( -4.167 2.029 -11.720) 12.603 8.413 ( -2.639 0.874 -12.246) 12.558 8.754 ( -5.387 -6.199 10.751) 13.529 9.334 ( 8.328 0.990 3.027) 8.916 10.567 ( -7.804 11.063 8.579) 16.028 11.442 ( -12.111 19.898 -0.490) 23.299 12.785 ( 8.424 -18.032 -9.970) 22.260 13.198 ( -1.772 -2.786 4.360) 5.469 14.619 ( -4.210 -3.076 0.508) 5.239 15.188 ( 3.692 16.235 0.277) 16.652 17.342 ( 17.536 -27.323 -0.369) 32.468 18.277 ( 2.331 -1.108 0.140) 2.585 19.997 ( -7.800 10.062 -0.016) 12.731 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -2.930 -4.615 0.203) 5.470 3.673 ( 13.606 0.991 1.216) 13.696 3.979 ( -13.585 7.831 -1.180) 15.724 4.370 ( -12.897 11.034 4.035) 17.446 4.903 ( -15.194 -5.018 -11.383) 19.637 5.240 ( -8.757 -7.215 10.926) 15.752 5.561 ( -0.203 -1.922 0.715) 2.061 6.008 ( 4.199 0.341 -2.002) 4.664 6.299 ( 1.272 -5.627 -3.382) 6.687 6.778 ( -17.729 6.026 2.055) 18.838 7.473 ( 3.865 3.049 7.357) 8.852 8.092 ( -1.736 -5.449 -13.710) 14.855 8.245 ( -8.002 3.566 1.207) 8.843 8.682 ( 0.654 -4.863 -3.584) 6.076 9.570 ( 10.849 7.461 2.122) 13.337 10.432 ( -16.713 1.098 9.796) 19.404 11.398 ( -12.049 12.833 -0.924) 17.627 12.786 ( 6.311 -5.971 -5.261) 10.156 13.049 ( -8.051 -7.408 0.998) 10.986 14.530 ( -0.910 -2.590 1.153) 2.978 15.513 ( 13.025 15.282 0.278) 20.082 17.400 ( 17.379 -21.724 -0.352) 27.823 18.340 ( 5.502 0.061 -0.152) 5.505 19.928 ( -10.266 7.400 -0.022) 12.655 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -1.208 -2.340 -0.256) 2.646 3.752 ( -18.364 3.638 -0.666) 18.732 3.915 ( 10.224 0.874 0.407) 10.270 4.254 ( -12.162 7.998 5.978) 15.736 4.464 ( -23.179 -7.112 -7.513) 25.383 5.037 ( -11.141 -3.789 3.446) 12.262 5.504 ( -3.813 -2.303 0.026) 4.455 6.068 ( 3.004 0.672 -1.143) 3.284 6.236 ( -7.061 -3.602 -0.990) 7.988 6.546 ( -9.757 2.134 1.593) 10.114 7.512 ( -4.846 4.893 0.585) 6.912 7.825 ( -14.217 -7.697 -1.676) 16.254 8.370 ( 5.882 11.904 5.724) 14.459 8.639 ( 5.676 -10.126 -10.223) 15.468 9.795 ( 2.308 9.569 2.167) 10.079 10.075 ( -21.789 -6.214 3.443) 22.918 11.313 ( -4.992 3.932 -1.036) 6.439 12.591 ( -23.856 -0.053 2.995) 24.044 13.062 ( 15.551 -4.275 -3.765) 16.561 14.550 ( 4.564 -1.004 1.035) 4.787 15.902 ( 16.652 9.358 0.170) 19.102 17.504 ( 14.497 -12.564 -0.176) 19.184 18.466 ( 8.636 0.471 -0.249) 8.652 19.788 ( -12.483 3.941 -0.007) 13.091 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 0.305 0.000 -0.000) 0.305 3.411 ( -22.338 -0.000 0.000) 22.338 3.890 ( -31.197 -0.000 0.000) 31.197 3.941 ( -8.206 -0.000 0.000) 8.206 4.290 ( 2.993 0.000 -0.000) 2.993 4.802 ( -12.155 -0.000 0.000) 12.155 5.396 ( -6.973 -0.000 0.000) 6.973 5.928 ( -22.624 -0.000 0.000) 22.624 6.139 ( 4.300 0.000 -0.000) 4.300 6.503 ( -0.684 -0.000 0.000) 0.684 7.466 ( -1.236 -0.000 0.000) 1.236 7.478 ( -21.072 -0.000 0.000) 21.072 8.465 ( -4.456 -0.000 0.000) 4.456 8.766 ( 15.458 0.000 -0.000) 15.458 9.516 ( -32.861 -0.000 0.000) 32.861 9.901 ( -0.965 -0.000 0.000) 0.965 11.356 ( 8.204 0.000 -0.000) 8.204 12.144 ( -26.278 -0.000 0.000) 26.278 13.314 ( 14.716 0.000 -0.000) 14.716 14.657 ( 7.962 0.000 -0.000) 7.962 16.254 ( 17.888 0.000 -0.000) 17.888 17.655 ( 10.377 0.000 -0.000) 10.377 18.644 ( 11.463 0.000 -0.000) 11.463 19.571 ( -14.808 -0.000 0.000) 14.808 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -0.000 21.593 5.421) 22.263 2.869 ( 0.000 20.093 1.019) 20.118 3.065 ( 0.000 15.514 -14.242) 21.060 3.470 ( 0.000 8.100 -7.089) 10.764 4.254 ( -0.000 26.399 15.173) 30.449 4.822 ( -0.000 -5.190 1.699) 5.461 5.335 ( 0.000 14.898 -1.825) 15.009 5.367 ( -0.000 29.461 4.771) 29.845 6.175 ( 0.000 1.759 -1.368) 2.229 6.205 ( 0.000 2.476 -3.304) 4.129 6.928 ( 0.000 26.181 1.565) 26.228 7.688 ( -0.000 -10.462 0.184) 10.464 8.170 ( -0.000 -1.459 2.034) 2.503 8.863 ( 0.000 29.787 -6.378) 30.463 9.163 ( 0.000 8.880 -1.442) 8.997 9.444 ( -0.000 -3.652 6.556) 7.505 11.641 ( 0.000 23.960 -2.166) 24.058 11.720 ( -0.000 -19.959 0.107) 19.960 13.572 ( -0.000 -12.773 -0.773) 12.796 14.840 ( 0.000 -7.626 -10.349) 12.855 16.454 ( -0.000 -21.446 0.241) 21.448 18.442 ( 0.000 9.249 0.028) 9.250 18.791 ( 0.000 8.966 -0.473) 8.979 19.035 ( -0.000 -14.986 6.451) 16.316 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -1.073 3.576 -2.415) 4.446 3.051 ( 5.786 18.842 2.706) 19.896 3.369 ( 7.762 30.281 -7.772) 32.212 3.610 ( 8.039 7.990 -5.215) 12.476 4.452 ( -1.419 2.979 10.755) 11.250 4.829 ( -0.782 12.142 3.835) 12.757 5.452 ( -2.197 13.019 0.523) 13.213 5.705 ( 4.249 26.935 4.765) 27.681 6.135 ( -1.243 -3.200 -2.965) 4.536 6.310 ( 6.959 3.833 -4.211) 8.992 7.235 ( 6.319 20.387 2.434) 21.482 7.477 ( -9.101 -8.354 0.476) 12.363 8.270 ( 10.357 -1.932 1.440) 10.634 8.937 ( -8.458 7.109 -13.922) 17.774 9.383 ( 7.921 22.095 1.446) 23.517 9.561 ( 6.578 4.181 12.233) 14.505 11.489 ( -3.388 -17.627 -0.160) 17.951 11.899 ( 2.500 24.422 -2.458) 24.672 13.431 ( -1.366 -13.132 -1.021) 13.243 14.727 ( -2.926 -5.503 -8.280) 10.363 16.264 ( 3.028 -22.455 0.292) 22.660 18.252 ( -22.470 6.129 0.041) 23.291 18.845 ( -2.293 -13.461 4.294) 14.314 19.130 ( 16.595 8.423 0.312) 18.613 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -1.228 3.458 -0.489) 3.702 3.381 ( 11.300 15.980 0.555) 19.580 3.781 ( 7.682 22.241 -9.690) 25.447 3.892 ( 14.835 12.523 0.929) 19.436 4.334 ( -5.808 -10.818 2.934) 12.624 5.013 ( -0.734 19.085 6.015) 20.024 5.539 ( -1.434 10.268 4.812) 11.430 5.991 ( 2.898 3.672 -1.895) 5.047 6.130 ( 1.970 13.975 3.384) 14.514 6.449 ( 4.295 3.237 -3.084) 6.199 7.271 ( 0.148 -7.301 -5.845) 9.354 7.556 ( 5.150 14.604 0.263) 15.488 8.444 ( 9.024 2.206 0.956) 9.339 8.805 ( -4.479 -5.563 2.933) 7.721 9.715 ( 10.246 0.161 -4.487) 11.187 9.765 ( 0.467 27.888 6.998) 28.756 11.301 ( -0.189 -10.867 0.191) 10.870 12.217 ( 5.865 25.878 -2.896) 26.691 13.246 ( -3.924 -14.442 -0.711) 14.982 14.602 ( -4.161 -3.507 -6.038) 8.128 16.096 ( 2.974 -22.294 0.403) 22.495 17.887 ( -22.804 0.960 0.053) 22.824 18.666 ( -4.226 -11.350 3.163) 12.517 19.493 ( 14.147 8.861 0.060) 16.693 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -0.324 3.602 1.884) 4.078 3.748 ( 13.375 13.210 0.086) 18.799 3.953 ( -3.261 -4.984 1.074) 6.052 4.161 ( 0.006 10.924 -10.136) 14.902 4.365 ( 18.070 12.519 1.703) 22.049 5.156 ( -3.154 13.557 2.628) 14.164 5.624 ( -1.137 6.569 8.605) 10.886 5.973 ( 2.011 -4.537 -5.577) 7.465 6.354 ( 0.641 6.767 9.092) 11.352 6.541 ( 4.904 10.301 -1.569) 11.516 7.290 ( 5.160 2.139 -14.410) 15.455 7.691 ( 1.983 2.893 -5.173) 6.250 8.641 ( 4.178 11.785 6.912) 14.287 8.709 ( 2.911 -15.007 16.333) 22.371 9.780 ( 2.300 -6.966 -2.722) 7.825 10.041 ( -1.017 26.776 -6.421) 27.554 11.313 ( 7.518 1.047 1.056) 7.663 12.590 ( 7.408 25.011 -3.485) 26.317 13.007 ( -5.101 -16.956 0.943) 17.732 14.498 ( -3.128 -1.454 -3.990) 5.274 15.913 ( -0.462 -18.913 0.495) 18.925 17.501 ( -18.007 -6.503 -0.002) 19.145 18.496 ( -4.346 -8.435 2.041) 9.705 19.788 ( 9.645 8.831 0.048) 13.077 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 1.004 3.222 2.776) 4.370 3.711 ( -8.874 -12.411 1.589) 15.340 4.085 ( 9.507 11.593 1.183) 15.039 4.337 ( 3.941 15.592 -10.210) 19.050 4.813 ( 18.253 10.801 0.722) 21.221 5.191 ( -4.762 6.879 0.129) 8.368 5.644 ( -3.442 2.779 5.463) 7.030 5.973 ( 2.444 -3.461 -1.738) 4.580 6.354 ( 0.038 -3.484 7.663) 8.418 6.823 ( 8.116 17.612 -0.472) 19.398 7.290 ( -4.557 0.636 -14.901) 15.595 7.791 ( 10.938 1.081 -6.767) 12.907 8.636 ( -1.099 -9.994 16.315) 19.165 8.829 ( 2.117 7.442 12.136) 14.392 9.639 ( -6.847 -10.775 -2.052) 12.930 10.291 ( 3.736 24.593 -11.253) 27.302 11.542 ( 8.483 12.159 0.323) 14.829 12.734 ( -2.959 -17.837 1.901) 18.180 12.927 ( 5.211 13.794 -2.440) 14.946 14.469 ( 0.711 2.289 -2.124) 3.202 15.711 ( -6.056 -9.644 0.443) 11.397 17.146 ( -9.115 -16.647 -0.082) 18.979 18.361 ( -3.427 -5.701 1.200) 6.759 20.003 ( 4.996 8.640 0.035) 9.981 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( 2.692 2.468 2.416) 4.379 3.458 ( -6.734 -10.284 1.130) 12.344 4.282 ( -0.538 11.801 0.459) 11.823 4.553 ( 5.585 13.650 -5.794) 15.846 5.132 ( -5.320 4.477 -4.596) 8.335 5.190 ( 15.171 -0.328 3.258) 15.521 5.622 ( -3.292 4.757 2.745) 6.403 5.939 ( -1.369 -5.242 0.971) 5.504 6.361 ( 2.373 -3.621 4.218) 6.044 7.110 ( 1.060 17.223 -2.040) 17.375 7.170 ( -0.245 -1.715 -5.445) 5.713 7.991 ( 11.713 -3.132 -8.738) 14.945 8.546 ( -3.764 -1.503 6.179) 7.390 8.913 ( -1.592 2.991 12.986) 13.421 9.367 ( -9.707 -10.943 -0.018) 14.628 10.612 ( 5.270 25.449 -6.636) 26.823 11.754 ( -1.691 14.418 -1.182) 14.565 12.551 ( 3.919 -18.235 1.370) 18.702 13.055 ( 2.966 -1.051 -1.256) 3.388 14.558 ( 4.277 5.096 -0.679) 6.688 15.533 ( -12.005 6.467 0.293) 13.639 16.872 ( 3.449 -26.752 -0.215) 26.975 18.272 ( -1.710 -3.354 0.621) 3.816 20.134 ( 0.526 7.857 0.017) 7.874 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( -1.156 -0.936 1.242) 1.938 3.326 ( 2.792 -4.373 1.170) 5.319 4.328 ( -6.383 10.142 -0.548) 11.996 4.729 ( -2.498 13.999 0.384) 14.225 5.041 ( -1.360 -4.250 -5.777) 7.300 5.362 ( 5.796 -5.791 1.837) 8.396 5.643 ( -3.407 6.101 3.360) 7.754 5.869 ( 0.684 -3.341 0.746) 3.491 6.333 ( -1.543 -4.618 -1.706) 5.159 7.150 ( 4.588 2.218 2.824) 5.826 7.288 ( -4.957 12.184 -0.416) 13.161 8.018 ( 4.424 -12.112 -8.572) 15.484 8.556 ( -1.839 9.866 -8.247) 12.989 8.840 ( -9.964 -5.560 13.208) 17.454 9.215 ( 4.105 -3.290 2.435) 5.797 10.867 ( -5.910 21.748 2.282) 22.652 11.784 ( -4.382 8.422 -1.595) 9.627 12.471 ( 1.851 -11.044 -4.653) 12.126 13.079 ( 7.986 -9.958 2.078) 12.933 14.640 ( 0.257 0.220 0.005) 0.338 15.455 ( -11.618 20.045 0.236) 23.169 16.761 ( 16.300 -28.259 -0.354) 32.625 18.239 ( 0.575 -1.537 0.248) 1.659 20.178 ( -3.564 6.154 0.002) 7.111 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -4.220 -2.367 0.354) 4.852 3.455 ( 11.574 -0.085 0.741) 11.598 4.261 ( -10.634 5.866 -0.656) 12.163 4.705 ( -12.413 8.235 4.071) 15.443 4.987 ( -2.296 -2.275 -8.640) 9.225 5.305 ( -3.668 -7.443 4.519) 9.449 5.600 ( -4.688 1.491 2.274) 5.419 5.928 ( 5.167 0.605 -0.573) 5.234 6.248 ( -1.543 -3.153 -2.382) 4.242 7.162 ( -18.354 5.839 1.219) 19.299 7.344 ( 12.537 1.598 4.882) 13.549 7.971 ( 3.930 -7.269 -9.303) 12.443 8.483 ( -14.089 5.295 -4.959) 15.847 8.678 ( -2.523 -4.519 5.809) 7.780 9.399 ( 13.879 2.477 1.580) 14.186 10.792 ( -18.437 6.560 4.664) 20.118 11.766 ( -12.665 10.097 -0.401) 16.202 12.443 ( 13.204 -9.695 -5.079) 17.150 13.111 ( 1.013 -4.840 1.854) 5.281 14.573 ( -5.302 -1.286 0.216) 5.460 15.530 ( 0.206 13.419 0.177) 13.421 16.871 ( 21.377 -16.058 -0.264) 26.737 18.262 ( 3.199 -0.381 0.035) 3.221 20.134 ( -7.087 3.474 -0.005) 7.893 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -2.949 -0.000 0.000) 2.949 3.686 ( 14.290 0.000 -0.000) 14.290 4.066 ( -15.073 -0.000 0.000) 15.073 4.530 ( -12.943 -0.000 0.000) 12.943 4.784 ( -17.421 -0.000 0.000) 17.421 5.182 ( -7.040 -0.000 0.000) 7.040 5.545 ( -2.707 -0.000 0.000) 2.707 6.009 ( 3.887 0.000 -0.000) 3.887 6.234 ( 1.508 0.000 -0.000) 1.508 6.844 ( -19.788 -0.000 0.000) 19.788 7.555 ( 6.258 0.000 -0.000) 6.258 7.928 ( -3.783 -0.000 0.000) 3.783 8.338 ( -1.578 -0.000 0.000) 1.578 8.606 ( -4.083 -0.000 0.000) 4.083 9.670 ( 13.804 0.000 -0.000) 13.804 10.461 ( -22.419 -0.000 0.000) 22.419 11.534 ( -16.137 -0.000 0.000) 16.137 12.709 ( 19.837 0.000 -0.000) 19.837 12.962 ( -15.668 -0.000 0.000) 15.668 14.506 ( -0.613 -0.000 0.000) 0.613 15.703 ( 11.255 0.000 -0.000) 11.255 17.147 ( 18.886 0.000 -0.000) 18.886 18.340 ( 5.954 0.000 -0.000) 5.954 20.003 ( -9.998 -0.000 0.000) 9.998 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 0.000 5.108 -2.136) 5.537 3.182 ( -0.000 15.478 4.178) 16.032 3.584 ( 0.000 29.637 -8.544) 30.844 3.596 ( 0.000 6.932 -4.796) 8.430 4.446 ( -0.000 -9.574 6.441) 11.539 5.033 ( -0.000 22.249 6.491) 23.177 5.599 ( 0.000 10.983 0.630) 11.001 5.955 ( -0.000 25.844 6.301) 26.601 6.119 ( 0.000 -3.043 -1.830) 3.551 6.271 ( 0.000 6.707 -6.725) 9.498 7.273 ( -0.000 -4.295 1.839) 4.672 7.569 ( 0.000 7.243 0.372) 7.253 8.113 ( -0.000 -5.171 2.067) 5.569 9.083 ( 0.000 2.508 -15.717) 15.916 9.340 ( 0.000 9.022 -1.205) 9.102 9.777 ( -0.000 25.893 17.479) 31.241 11.330 ( -0.000 -18.616 0.201) 18.617 12.110 ( 0.000 23.737 -3.044) 23.932 13.313 ( 0.000 -12.353 -1.337) 12.425 14.691 ( 0.000 -3.451 -7.243) 8.023 16.010 ( -0.000 -22.561 0.208) 22.562 18.615 ( 0.000 7.866 0.034) 7.866 18.738 ( -0.000 -11.813 3.342) 12.276 18.962 ( -0.000 3.522 0.621) 3.576 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( -2.021 6.377 -0.521) 6.710 3.379 ( 5.625 12.818 2.317) 14.188 3.735 ( 8.789 6.348 -3.597) 11.423 3.905 ( 6.664 24.289 -5.884) 25.865 4.313 ( -3.695 -11.161 2.577) 12.036 5.254 ( -1.654 20.383 5.373) 21.144 5.678 ( -1.651 8.062 3.374) 8.894 6.025 ( -5.324 -0.395 -3.295) 6.273 6.241 ( 4.801 15.761 7.764) 18.213 6.411 ( 4.432 10.187 -5.101) 12.225 7.169 ( 0.465 -11.075 -2.707) 11.411 7.647 ( -0.553 10.892 -3.265) 11.384 8.189 ( 12.954 -7.454 3.218) 15.288 8.950 ( -10.700 1.786 -1.556) 10.959 9.546 ( 10.084 4.575 -1.603) 11.189 10.066 ( -0.777 26.823 7.985) 27.997 11.163 ( 1.372 -14.301 -0.041) 14.367 12.373 ( 4.045 23.561 -2.789) 24.068 13.167 ( -2.656 -12.461 -1.431) 12.821 14.627 ( -2.796 -1.451 -5.557) 6.388 15.810 ( 2.704 -22.444 0.199) 22.607 18.354 ( -25.961 3.888 0.043) 26.250 18.616 ( -2.061 -10.539 2.887) 11.120 19.267 ( 19.507 5.084 0.144) 20.159 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( -2.547 6.822 1.542) 7.443 3.643 ( 11.008 10.032 0.365) 14.898 3.928 ( 2.727 -2.073 0.056) 3.426 4.127 ( 6.664 -4.108 -0.102) 7.829 4.300 ( 6.453 20.178 -6.213) 22.077 5.385 ( -4.813 15.055 1.558) 15.882 5.743 ( -0.891 6.646 9.055) 11.268 5.916 ( -3.316 -2.849 -5.966) 7.396 6.466 ( -4.555 4.205 7.628) 9.830 6.514 ( 8.950 8.519 0.595) 12.371 7.186 ( 7.125 4.756 -11.373) 14.238 7.707 ( -0.768 3.242 -7.467) 8.177 8.355 ( 14.199 -13.062 7.765) 20.797 8.836 ( -5.149 6.705 7.350) 11.202 9.674 ( 2.848 -3.102 0.694) 4.268 10.315 ( -1.134 24.134 -1.854) 24.232 11.145 ( 8.809 -4.956 -0.058) 10.108 12.707 ( 7.230 23.386 -2.388) 24.594 12.956 ( -6.320 -13.723 -0.487) 15.116 14.549 ( -4.005 0.459 -3.722) 5.487 15.648 ( 4.218 -22.066 0.297) 22.468 17.898 ( -28.157 0.055 0.056) 28.158 18.483 ( -3.073 -7.911 1.947) 8.707 19.634 ( 16.216 5.319 0.070) 17.066 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -2.307 6.246 2.512) 7.117 3.740 ( -8.208 -12.241 1.655) 14.830 3.952 ( 14.036 7.329 -0.426) 15.840 4.363 ( 10.783 10.009 -6.204) 15.967 4.621 ( 11.798 10.812 -0.484) 16.010 5.401 ( -7.605 10.004 -1.108) 12.616 5.768 ( -5.390 4.149 6.170) 9.183 5.880 ( 3.770 -2.528 -2.186) 5.038 6.373 ( -4.408 -3.712 6.570) 8.739 6.808 ( 11.481 11.896 -0.279) 16.535 7.332 ( 0.501 7.243 -13.586) 15.405 7.683 ( 1.282 0.822 -4.381) 4.638 8.411 ( 8.935 -16.769 10.319) 21.623 8.962 ( 2.912 11.605 10.579) 15.971 9.597 ( -3.339 -9.522 -0.155) 10.091 10.499 ( -1.634 21.590 -8.088) 23.113 11.378 ( 17.568 3.671 0.170) 17.948 12.674 ( -8.945 -15.386 0.980) 17.824 13.026 ( 3.663 18.262 -1.717) 18.704 14.504 ( -1.854 3.648 -2.048) 4.576 15.529 ( 6.458 -18.897 0.339) 19.973 17.391 ( -27.475 -4.462 -0.005) 27.835 18.365 ( -3.146 -5.280 1.140) 6.251 19.928 ( 11.550 5.160 0.037) 12.650 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -1.159 5.012 2.193) 5.592 3.486 ( -7.848 -9.988 0.800) 12.728 4.255 ( 12.753 5.204 0.159) 13.775 4.590 ( 3.513 13.233 -7.305) 15.518 4.910 ( 15.251 -1.975 3.164) 15.701 5.331 ( -9.136 7.100 -1.920) 11.729 5.733 ( -3.631 4.631 0.851) 5.946 5.898 ( 0.868 -4.151 1.824) 4.616 6.314 ( 0.189 -2.860 4.536) 5.366 7.137 ( 11.104 13.235 -2.331) 17.433 7.240 ( -7.505 -0.322 -7.135) 10.360 7.793 ( 7.026 0.841 -2.528) 7.514 8.434 ( 8.161 -10.351 6.303) 14.611 9.078 ( -4.738 7.703 10.153) 13.597 9.406 ( -6.552 -9.754 -1.411) 11.835 10.730 ( 6.751 22.078 -7.895) 24.400 11.731 ( 13.621 3.748 -1.054) 14.167 12.391 ( -3.692 -13.083 3.135) 13.951 13.115 ( -7.174 4.743 -1.528) 8.735 14.560 ( 1.859 6.331 -0.694) 6.635 15.540 ( 11.140 -6.937 0.194) 13.124 16.863 ( -24.339 -10.820 -0.092) 26.635 18.277 ( -2.370 -2.966 0.556) 3.838 20.134 ( 6.552 4.383 0.017) 7.883 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 0.444 4.122 1.218) 4.321 3.288 ( -4.746 -6.877 0.268) 8.360 4.454 ( 3.006 4.582 0.415) 5.496 4.749 ( 5.598 7.575 -4.129) 10.284 5.059 ( 3.327 -5.635 1.896) 6.813 5.268 ( -2.210 3.585 -0.802) 4.287 5.743 ( -1.509 5.477 -0.065) 5.681 5.839 ( -1.564 -5.056 1.691) 5.556 6.313 ( 0.375 -1.753 0.861) 1.989 7.108 ( -2.306 -1.182 -0.960) 2.763 7.463 ( 7.305 16.214 -1.977) 17.893 7.814 ( 0.989 -11.452 -1.087) 11.546 8.530 ( 7.675 -0.279 0.010) 7.680 9.034 ( -7.976 2.639 5.498) 10.041 9.186 ( -7.268 -5.478 -0.088) 9.102 11.127 ( 9.624 26.440 -2.505) 28.248 11.694 ( -4.211 -19.364 -0.990) 19.842 12.493 ( 11.276 10.559 1.347) 15.507 12.902 ( -10.401 -11.195 -0.601) 15.293 14.635 ( 1.138 2.047 -0.085) 2.343 15.786 ( 8.946 16.653 0.184) 18.905 16.356 ( -12.297 -22.743 -0.240) 25.856 18.228 ( -0.919 -1.154 0.192) 1.487 20.240 ( 1.546 2.683 0.005) 3.096 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( -5.415 -0.000 0.000) 5.415 3.289 ( 7.195 0.000 -0.000) 7.195 4.442 ( -6.313 -0.000 0.000) 6.313 4.912 ( 7.345 0.000 -0.000) 7.345 4.955 ( -9.897 -0.000 0.000) 9.897 5.286 ( 0.998 0.000 -0.000) 0.998 5.711 ( -5.663 -0.000 0.000) 5.663 5.843 ( 4.496 0.000 -0.000) 4.496 6.276 ( -3.069 -0.000 0.000) 3.069 7.153 ( 7.857 0.000 -0.000) 7.857 7.522 ( -15.656 -0.000 0.000) 15.656 7.789 ( 10.307 0.000 -0.000) 10.307 8.641 ( 3.774 0.000 -0.000) 3.774 8.802 ( -17.518 -0.000 0.000) 17.518 9.197 ( 9.049 0.000 -0.000) 9.049 11.192 ( -20.544 -0.000 0.000) 20.544 11.716 ( 20.430 0.000 -0.000) 20.430 12.461 ( -18.575 -0.000 0.000) 18.575 12.916 ( 16.354 0.000 -0.000) 16.354 14.638 ( -1.953 -0.000 0.000) 1.953 15.781 ( -18.808 -0.000 0.000) 18.808 16.362 ( 25.758 0.000 -0.000) 25.758 18.224 ( 1.001 0.000 -0.000) 1.001 20.240 ( -3.109 -0.000 0.000) 3.109 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 0.000 8.373 0.104) 8.373 3.452 ( -0.000 10.026 2.575) 10.351 3.700 ( 0.000 4.977 -2.745) 5.684 4.032 ( 0.000 10.647 -2.950) 11.048 4.266 ( 0.000 -1.393 -0.830) 1.621 5.473 ( -0.000 17.357 2.963) 17.608 5.754 ( -0.000 3.698 1.657) 4.052 6.087 ( -0.000 0.193 1.659) 1.671 6.298 ( -0.000 5.652 3.055) 6.425 6.556 ( 0.000 24.264 -4.055) 24.600 7.022 ( -0.000 -14.284 0.231) 14.286 7.738 ( 0.000 6.060 -6.382) 8.801 7.979 ( -0.000 -9.026 1.395) 9.133 9.092 ( -0.000 2.099 3.780) 4.323 9.502 ( 0.000 7.344 -0.699) 7.377 10.344 ( -0.000 23.383 5.253) 23.965 10.993 ( -0.000 -14.716 0.256) 14.718 12.549 ( 0.000 20.880 -2.879) 21.077 13.074 ( 0.000 -10.559 -1.637) 10.685 14.636 ( 0.000 0.459 -4.416) 4.440 15.572 ( -0.000 -20.595 -0.001) 20.595 18.540 ( -0.000 -8.693 2.267) 8.984 18.752 ( 0.000 5.672 0.033) 5.672 19.006 ( -0.000 0.725 0.258) 0.770 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -2.749 9.083 1.107) 9.555 3.590 ( 5.316 7.435 1.340) 9.238 3.822 ( 8.030 2.991 -1.434) 8.688 4.001 ( -0.246 -10.847 1.701) 10.983 4.385 ( 3.848 16.626 -5.444) 17.913 5.596 ( -3.161 11.884 -0.593) 12.312 5.783 ( 0.623 1.255 2.028) 2.465 6.027 ( -7.285 1.986 2.578) 7.979 6.425 ( 7.789 4.602 0.629) 9.069 6.638 ( -9.635 3.437 4.645) 11.235 7.067 ( 11.958 7.899 -6.843) 15.882 7.737 ( -1.730 1.734 -7.130) 7.539 8.005 ( 11.711 -11.650 2.420) 16.695 9.030 ( -8.598 3.937 7.100) 11.825 9.618 ( 3.595 2.464 1.235) 4.530 10.546 ( -1.119 18.251 0.949) 18.310 10.931 ( 7.338 -8.476 -0.348) 11.217 12.793 ( 5.952 18.706 -2.429) 19.780 12.934 ( -4.387 -9.697 -0.962) 10.686 14.616 ( -2.661 2.084 -2.956) 4.490 15.388 ( 1.419 -19.090 -0.013) 19.143 18.408 ( -28.003 1.612 -0.053) 28.049 18.455 ( -2.124 -6.417 1.773) 6.988 19.341 ( 21.636 2.498 0.094) 21.780 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( -4.000 8.273 1.633) 9.333 3.750 ( -4.267 -9.150 1.550) 10.215 3.798 ( 8.487 2.997 0.004) 9.001 4.142 ( 16.782 2.688 -1.406) 17.054 4.612 ( 5.450 11.858 -3.542) 13.522 5.608 ( -5.985 7.312 -1.608) 9.585 5.801 ( 1.510 -2.121 -2.580) 3.665 5.937 ( -6.887 4.504 6.110) 10.250 6.458 ( -8.056 -3.237 4.323) 9.698 6.667 ( 12.763 4.397 -0.073) 13.499 7.360 ( 6.493 13.861 -8.707) 17.610 7.696 ( -1.776 0.467 -3.894) 4.305 8.087 ( 11.317 -15.208 4.874) 19.574 9.010 ( 0.800 5.634 5.762) 8.098 9.611 ( -4.401 -3.279 3.019) 6.264 10.696 ( -0.798 14.910 -3.630) 15.366 11.078 ( 16.073 -2.381 -0.212) 16.250 12.720 ( -9.357 -8.981 -0.037) 12.970 13.094 ( 7.982 14.905 -1.296) 16.957 14.589 ( -3.034 4.581 -1.681) 5.746 15.241 ( 3.440 -17.741 0.153) 18.072 17.893 ( -31.201 -0.424 0.041) 31.203 18.369 ( -2.437 -4.027 0.944) 4.800 19.711 ( 17.694 2.478 0.040) 17.867 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( -4.100 5.662 1.186) 7.090 3.533 ( -7.724 -7.731 0.548) 10.942 4.045 ( 14.043 2.265 -0.233) 14.226 4.485 ( 18.380 3.662 -1.756) 18.823 4.761 ( 2.836 3.382 -0.463) 4.438 5.535 ( -8.075 3.748 -1.014) 8.960 5.800 ( 1.100 0.086 -4.660) 4.789 5.893 ( -4.171 1.074 6.168) 7.523 6.327 ( -3.995 -2.204 2.644) 5.273 6.969 ( 16.440 4.387 -1.166) 17.055 7.386 ( -8.927 1.721 -5.161) 10.454 7.753 ( 2.505 5.960 -0.468) 6.482 8.153 ( 12.425 -10.348 3.272) 16.497 9.156 ( 5.851 3.984 3.598) 7.941 9.451 ( -8.813 -4.193 1.485) 9.872 10.804 ( 1.407 10.119 -4.192) 11.043 11.418 ( 22.156 0.251 -0.052) 22.157 12.446 ( -12.156 -6.623 1.027) 13.881 13.274 ( -1.699 6.476 -0.724) 6.734 14.613 ( -0.574 5.980 -0.602) 6.038 15.205 ( 11.609 -11.369 0.140) 16.249 17.328 ( -32.471 -1.700 0.001) 32.516 18.297 ( -2.574 -1.792 0.368) 3.158 19.997 ( 12.645 1.702 0.013) 12.759 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -2.029 -0.000 0.000) 2.029 3.358 ( -7.409 -0.000 0.000) 7.409 4.305 ( 13.758 0.000 -0.000) 13.758 4.773 ( -1.097 -0.000 0.000) 1.097 4.823 ( 16.548 0.000 -0.000) 16.548 5.410 ( -8.347 -0.000 0.000) 8.347 5.817 ( 0.035 0.000 -0.000) 0.035 5.827 ( -3.459 -0.000 0.000) 3.459 6.293 ( 0.450 0.000 -0.000) 0.450 7.210 ( -9.377 -0.000 0.000) 9.377 7.292 ( 17.155 0.000 -0.000) 17.155 7.791 ( -0.936 -0.000 0.000) 0.936 8.339 ( 12.699 0.000 -0.000) 12.699 9.178 ( -6.809 -0.000 0.000) 6.809 9.298 ( -6.008 -0.000 0.000) 6.008 10.985 ( 13.984 0.000 -0.000) 13.984 11.699 ( 3.713 0.000 -0.000) 3.713 12.293 ( 4.568 0.000 -0.000) 4.568 13.147 ( -14.900 -0.000 0.000) 14.900 14.640 ( 0.020 0.000 -0.000) 0.020 15.464 ( 23.057 0.000 -0.000) 23.057 16.747 ( -32.475 -0.000 0.000) 32.475 18.248 ( -2.021 -0.000 0.000) 2.021 20.178 ( 7.118 0.000 -0.000) 7.118 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( 0.000 10.033 0.942) 10.077 3.610 ( -0.000 5.004 1.124) 5.129 3.768 ( 0.000 2.535 -1.161) 2.789 3.894 ( -0.000 -12.099 1.315) 12.170 4.485 ( 0.000 12.401 -3.647) 12.926 5.712 ( 0.000 5.857 -2.650) 6.429 5.790 ( -0.000 0.805 1.309) 1.537 6.129 ( -0.000 1.832 4.953) 5.281 6.384 ( 0.000 2.962 -0.188) 2.968 6.793 ( -0.000 -7.631 -0.695) 7.662 7.010 ( 0.000 20.811 -0.312) 20.813 7.766 ( -0.000 -12.345 0.404) 12.352 7.767 ( 0.000 0.918 -6.272) 6.339 9.173 ( -0.000 2.245 7.724) 8.044 9.617 ( 0.000 4.118 -0.249) 4.126 10.722 ( 0.000 12.778 0.426) 12.785 10.760 ( -0.000 -8.276 0.185) 8.278 12.888 ( 0.000 7.002 -13.592) 15.289 12.896 ( -0.000 -0.125 10.684) 10.685 14.658 ( 0.000 2.571 -1.769) 3.120 15.213 ( -0.000 -14.280 -0.236) 14.282 18.416 ( -0.000 -4.410 1.131) 4.553 18.840 ( 0.000 2.964 0.020) 2.964 19.005 ( -0.000 -0.524 0.132) 0.540 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( -3.769 7.814 0.740) 8.707 3.691 ( 4.617 2.136 0.481) 5.110 3.748 ( -3.021 -7.924 0.638) 8.504 3.900 ( 11.588 0.476 -0.586) 11.613 4.614 ( 4.091 6.566 -1.932) 7.974 5.729 ( -1.430 2.986 -1.595) 3.675 5.781 ( -1.949 -0.800 -0.284) 2.125 6.096 ( -5.713 2.055 3.135) 6.832 6.492 ( 8.743 1.829 0.136) 8.933 6.613 ( -10.358 -2.473 0.959) 10.692 7.331 ( 10.944 14.468 -3.012) 18.389 7.693 ( 3.087 -5.663 0.877) 6.509 7.788 ( 5.227 -6.704 -2.208) 8.783 9.120 ( -6.990 1.811 3.701) 8.114 9.653 ( -0.809 0.572 1.122) 1.496 10.768 ( 6.676 2.178 0.065) 7.022 10.846 ( 4.063 1.559 -0.831) 4.430 12.791 ( -5.630 -3.744 -0.657) 6.793 13.061 ( 7.282 7.569 -0.622) 10.521 14.667 ( -1.404 2.939 -0.804) 3.355 15.085 ( -0.979 -9.531 -0.095) 9.581 18.373 ( -1.366 -2.141 0.504) 2.590 18.428 ( -29.829 0.329 0.072) 29.831 19.373 ( 22.784 0.747 0.032) 22.796 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( -5.019 -0.000 0.000) 5.019 3.612 ( -6.196 -0.000 0.000) 6.196 3.841 ( 10.305 0.000 -0.000) 10.305 4.169 ( 17.992 0.000 -0.000) 17.992 4.725 ( 4.438 0.000 -0.000) 4.438 5.682 ( -6.677 -0.000 0.000) 6.677 5.758 ( 1.571 0.000 -0.000) 1.571 6.008 ( -6.118 -0.000 0.000) 6.118 6.428 ( -8.606 -0.000 0.000) 8.606 6.710 ( 14.499 0.000 -0.000) 14.499 7.500 ( -1.486 -0.000 0.000) 1.486 7.771 ( 1.456 0.000 -0.000) 1.456 7.849 ( 13.756 0.000 -0.000) 13.756 9.079 ( 2.156 0.000 -0.000) 2.156 9.585 ( -6.931 -0.000 0.000) 6.931 10.854 ( -1.056 -0.000 0.000) 1.056 11.042 ( 19.524 0.000 -0.000) 19.524 12.625 ( -10.808 -0.000 0.000) 10.808 13.248 ( 7.912 0.000 -0.000) 7.912 14.665 ( -1.176 -0.000 0.000) 1.176 15.023 ( 1.762 0.000 -0.000) 1.762 17.888 ( -32.205 -0.000 0.000) 32.205 18.331 ( -2.239 -0.000 0.000) 2.239 19.736 ( 18.229 0.000 -0.000) 18.229 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( 0.000 0.000 -0.000) 0.000 3.663 ( -0.000 0.000 0.000) 0.000 3.727 ( -0.000 0.000 0.000) 0.000 3.790 ( -0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 -0.000) 0.000 5.740 ( 0.000 0.000 -0.000) 0.000 5.810 ( -0.000 0.000 0.000) 0.000 6.166 ( -0.000 0.000 0.000) 0.000 6.414 ( -0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 -0.000) 0.000 7.300 ( -0.000 -0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 7.758 ( -0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 0.000) 0.000 9.659 ( -0.000 0.000 0.000) 0.000 10.676 ( -0.000 0.000 0.000) 0.000 10.852 ( 0.000 0.000 0.000) 0.000 12.822 ( -0.000 0.000 0.000) 0.000 13.029 ( 0.000 0.000 -0.000) 0.000 14.691 ( 0.000 0.000 0.000) 0.000 15.053 ( 0.000 0.000 0.000) 0.000 18.374 ( -0.000 0.000 0.000) 0.000 18.869 ( 0.000 0.000 0.000) 0.000 18.999 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.248 ( -0.000 -0.000 37.426) 37.426 0.248 ( -0.000 -0.000 37.426) 37.426 0.412 ( -0.000 -0.000 62.249) 62.249 3.124 ( 0.000 0.000 -12.669) 12.669 3.124 ( 0.000 0.000 -12.669) 12.669 3.652 ( -0.000 -0.000 8.524) 8.524 3.652 ( -0.000 -0.000 8.524) 8.524 5.215 ( 0.000 0.000 -29.859) 29.859 5.681 ( -0.000 -0.000 23.141) 23.141 6.302 ( 0.000 0.000 -0.034) 0.034 6.302 ( 0.000 0.000 -0.034) 0.034 7.011 ( 0.000 0.000 -0.011) 0.011 8.017 ( -0.000 -0.000 0.122) 0.122 8.017 ( -0.000 -0.000 0.122) 0.122 8.798 ( 0.000 0.000 -0.174) 0.174 8.798 ( 0.000 0.000 -0.174) 0.174 11.843 ( -0.000 -0.000 0.211) 0.211 12.774 ( -0.000 0.000 0.003) 0.003 12.774 ( -0.000 -0.000 0.003) 0.003 14.235 ( 0.000 0.000 -0.209) 0.209 17.026 ( -0.000 -0.000 0.108) 0.108 17.896 ( -0.000 -0.000 0.002) 0.002 17.896 ( -0.000 -0.000 0.002) 0.002 21.095 ( -0.000 -0.000 0.042) 0.042 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 27.580 15.923 14.935) 35.174 0.913 ( 32.187 18.583 15.078) 40.108 1.450 ( 51.539 29.756 20.573) 62.967 3.128 ( 1.870 1.079 -9.997) 10.228 3.156 ( 4.459 2.574 -12.307) 13.341 3.775 ( 9.974 5.758 6.169) 13.065 3.995 ( 25.452 14.694 7.286) 30.279 4.691 ( -0.885 -0.511 -5.315) 5.413 5.338 ( -4.327 -2.498 10.117) 11.283 6.283 ( -1.397 -0.807 0.344) 1.649 6.958 ( -2.962 -1.710 -1.462) 3.720 7.104 ( 11.054 6.382 -9.216) 15.743 8.039 ( 1.628 0.940 -0.436) 1.929 8.071 ( 1.370 0.791 8.910) 9.049 8.825 ( 2.360 1.363 0.218) 2.734 9.701 ( 20.088 11.598 -35.572) 42.466 10.564 ( -10.723 -6.191 28.795) 31.344 12.689 ( -7.184 -4.148 0.020) 8.296 14.184 ( -4.356 -2.515 -0.250) 5.036 15.456 ( 21.444 12.381 -92.074) 95.345 17.123 ( 6.165 3.559 -3.272) 7.834 17.940 ( 5.859 3.383 -2.299) 7.145 17.945 ( 4.054 2.341 0.003) 4.681 20.039 ( -26.283 -15.175 49.696) 58.230 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 30.216 17.445 3.962) 35.114 1.651 ( 28.669 16.552 9.188) 34.355 2.570 ( 40.777 23.543 11.911) 48.569 3.164 ( 3.179 1.835 -4.058) 5.472 3.266 ( 6.710 3.874 -8.789) 11.717 4.125 ( 19.001 10.970 2.043) 22.035 4.747 ( 16.135 9.316 -6.988) 19.899 4.780 ( 25.090 14.486 2.206) 29.055 5.276 ( 0.624 0.360 7.379) 7.414 6.258 ( -0.526 -0.304 1.757) 1.859 6.863 ( -4.349 -2.511 0.493) 5.045 7.361 ( 13.443 7.761 -12.705) 20.059 8.070 ( 0.961 0.555 -2.453) 2.693 8.109 ( -0.607 -0.350 14.252) 14.269 8.913 ( 5.126 2.960 1.298) 6.060 9.904 ( 3.265 1.885 -1.290) 3.985 10.657 ( 13.307 7.683 -3.423) 15.742 12.453 ( -12.847 -7.417 0.037) 14.835 14.039 ( -7.844 -4.529 -0.240) 9.061 15.348 ( -8.986 -5.188 -32.283) 33.909 17.114 ( -6.983 -4.031 -0.841) 8.106 18.075 ( 6.924 3.998 0.007) 7.995 18.191 ( 15.002 8.661 -3.520) 17.677 19.659 ( -16.513 -9.534 19.901) 27.561 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 30.202 17.437 -1.416) 34.903 2.268 ( 23.230 13.412 5.701) 27.423 3.128 ( 6.552 3.783 -9.894) 12.455 3.414 ( 7.149 4.127 -5.278) 9.798 3.530 ( 28.513 16.462 18.386) 37.710 4.631 ( 23.857 13.774 -0.940) 27.563 4.895 ( 2.862 1.652 -6.168) 6.998 5.058 ( 2.061 1.190 2.044) 3.136 5.817 ( 30.989 17.892 4.041) 36.011 6.283 ( 2.365 1.365 3.507) 4.444 6.823 ( 3.116 1.799 5.328) 6.429 7.637 ( 10.733 6.197 -17.883) 21.757 8.066 ( -0.645 -0.373 -4.094) 4.161 8.130 ( 2.774 1.602 9.537) 10.060 9.060 ( 7.065 4.079 1.899) 8.376 9.932 ( -0.736 -0.425 11.872) 11.902 11.047 ( 19.810 11.438 -9.343) 24.709 12.112 ( -16.249 -9.382 0.056) 18.763 13.836 ( -9.266 -5.350 0.303) 10.704 15.057 ( -10.356 -5.979 -17.346) 21.068 16.846 ( -15.097 -8.716 -0.051) 17.433 18.252 ( 8.175 4.720 0.014) 9.439 18.533 ( 13.881 8.014 -1.679) 16.116 19.325 ( -15.217 -8.786 9.999) 20.217 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 18.074 10.435 3.294) 21.128 2.804 ( 18.795 10.851 -2.808) 21.883 3.307 ( 15.364 8.870 -7.486) 19.255 3.562 ( 6.303 3.639 -2.967) 7.860 4.144 ( 18.211 10.514 15.015) 25.839 4.814 ( -3.969 -2.291 1.324) 4.770 5.191 ( 24.239 13.994 -2.062) 28.065 5.242 ( 10.969 6.333 -5.693) 13.887 6.206 ( 3.694 2.132 -0.077) 4.266 6.384 ( 5.490 3.170 3.915) 7.451 7.155 ( 20.421 11.790 12.669) 26.768 7.629 ( -7.590 -4.382 -3.593) 9.472 8.029 ( -1.713 -0.989 -3.609) 4.115 8.437 ( 22.820 13.175 -15.922) 30.787 9.234 ( 7.365 4.252 1.327) 8.608 9.939 ( -1.801 -1.040 20.166) 20.273 11.486 ( 19.638 11.338 -10.248) 24.885 11.720 ( -17.316 -9.997 0.094) 19.995 13.638 ( -7.445 -4.298 2.047) 8.837 14.815 ( -7.595 -4.385 -11.719) 14.637 16.448 ( -18.819 -10.865 -0.033) 21.730 18.442 ( 8.007 4.623 0.021) 9.246 18.798 ( 8.895 5.136 -0.365) 10.278 19.008 ( -13.332 -7.697 5.678) 16.408 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 5.504 3.177 -1.325) 6.492 3.124 ( 13.500 7.794 1.826) 15.695 3.686 ( 4.730 2.731 -1.727) 5.729 3.825 ( 26.578 15.345 -7.974) 31.709 4.277 ( -7.193 -4.153 7.147) 10.958 4.929 ( 12.291 7.096 4.091) 14.770 5.475 ( 9.353 5.400 -2.574) 11.102 5.721 ( 21.356 12.330 -1.348) 24.697 6.200 ( -1.865 -1.077 0.605) 2.237 6.543 ( 7.574 4.373 1.885) 8.947 7.304 ( -12.486 -7.209 2.423) 14.620 7.702 ( 17.589 10.155 4.089) 20.718 7.974 ( -2.638 -1.523 -1.388) 3.347 8.954 ( 22.207 12.821 -15.067) 29.741 9.398 ( 6.484 3.743 0.272) 7.491 9.922 ( -3.725 -2.151 17.849) 18.360 11.329 ( -16.126 -9.310 0.169) 18.621 11.909 ( 18.887 10.904 -8.665) 23.467 13.523 ( -2.880 -1.663 4.134) 5.305 14.657 ( -4.081 -2.356 -8.737) 9.927 15.996 ( -19.829 -11.448 -0.135) 22.897 18.615 ( 6.805 3.929 0.025) 7.858 18.730 ( -10.801 -6.236 3.374) 12.920 18.955 ( 4.203 2.427 0.285) 4.862 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 5.021 2.899 -0.017) 5.797 3.391 ( 9.267 5.350 1.050) 10.751 3.771 ( 2.877 1.661 -1.110) 3.503 4.031 ( -11.618 -6.707 1.296) 13.477 4.397 ( 21.762 12.564 -5.657) 25.757 5.214 ( 10.041 5.797 2.997) 11.976 5.649 ( 5.891 3.401 0.002) 6.802 6.141 ( 14.258 8.232 -0.040) 16.463 6.157 ( -2.142 -1.236 2.426) 3.464 6.753 ( 11.107 6.413 -0.551) 12.837 7.012 ( -11.105 -6.412 -0.090) 12.824 7.888 ( -5.120 -2.956 0.366) 5.923 8.093 ( 15.766 9.103 -4.282) 18.702 9.317 ( 7.876 4.547 13.068) 15.922 9.532 ( 5.107 2.948 -0.294) 5.904 9.845 ( -3.023 -1.745 -5.594) 6.594 10.992 ( -12.717 -7.342 0.230) 14.686 12.323 ( 17.773 10.261 -4.162) 20.940 13.514 ( 0.776 0.448 3.412) 3.527 14.589 ( -0.321 -0.185 -5.822) 5.834 15.549 ( -18.359 -10.600 -0.260) 21.201 18.521 ( -7.672 -4.430 2.092) 9.103 18.752 ( 4.903 2.831 0.025) 5.662 19.013 ( 1.023 0.591 0.329) 1.227 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( 6.181 3.569 0.716) 7.173 3.558 ( 4.941 2.853 0.674) 5.745 3.768 ( -10.629 -6.137 1.352) 12.348 3.815 ( 1.157 0.668 -0.709) 1.513 4.785 ( 11.988 6.921 -5.436) 14.871 5.388 ( 4.667 2.695 1.846) 5.697 5.761 ( 4.211 2.431 0.288) 4.871 6.101 ( -3.435 -1.983 3.316) 5.170 6.361 ( 5.257 3.035 -0.144) 6.071 6.827 ( -4.726 -2.729 -0.625) 5.493 7.063 ( 14.931 8.620 -0.350) 17.244 7.723 ( -9.309 -5.375 0.383) 10.756 8.416 ( 14.119 8.152 -15.276) 22.342 9.298 ( -12.849 -7.418 29.016) 32.589 9.629 ( 3.135 1.810 -0.220) 3.627 9.861 ( 6.459 3.729 -12.565) 14.611 10.758 ( -7.215 -4.165 0.175) 8.333 12.675 ( 11.978 6.916 -0.813) 13.855 13.541 ( 0.765 0.442 -0.886) 1.252 14.618 ( 3.439 1.985 -2.225) 4.552 15.169 ( -13.722 -7.923 -0.145) 15.846 18.388 ( -4.055 -2.341 1.156) 4.823 18.839 ( 2.559 1.477 0.020) 2.955 19.018 ( -0.272 -0.157 0.135) 0.342 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( -0.183 -0.106 0.873) 0.899 3.608 ( 0.009 0.005 1.594) 1.594 3.616 ( -0.087 -0.050 0.458) 0.469 3.827 ( 0.111 0.064 -0.357) 0.379 4.915 ( 0.404 0.233 -5.040) 5.061 5.455 ( 0.829 0.479 4.538) 4.638 5.830 ( 0.253 0.146 -0.375) 0.475 6.035 ( -1.347 -0.778 1.460) 2.133 6.418 ( 0.149 0.086 -0.025) 0.174 6.777 ( 0.149 0.086 -0.364) 0.403 7.329 ( -0.403 -0.233 -0.426) 0.631 7.527 ( 0.327 0.189 0.492) 0.620 8.672 ( 10.723 6.191 -26.495) 29.245 8.981 ( -15.841 -9.146 16.818) 24.849 9.667 ( 0.026 0.015 -0.101) 0.106 10.007 ( 4.998 2.886 10.834) 12.275 10.672 ( -0.045 -0.026 0.046) 0.070 12.822 ( 0.137 0.079 -0.005) 0.158 13.536 ( -0.634 -0.366 -5.224) 5.275 14.690 ( 0.534 0.308 -0.008) 0.617 14.983 ( 0.284 0.164 1.057) 1.107 18.340 ( -0.249 -0.144 0.404) 0.495 18.868 ( -0.004 -0.002 0.013) 0.014 19.013 ( -0.069 -0.040 -0.163) 0.181 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( -6.332 -3.656 0.394) 7.322 3.556 ( -5.110 -2.950 0.416) 5.915 3.772 ( 10.339 5.969 1.868) 12.083 3.817 ( -1.003 -0.579 -0.305) 1.198 4.787 ( -10.520 -6.074 -4.925) 13.108 5.433 ( -4.974 -2.871 8.380) 10.159 5.755 ( -4.627 -2.671 -0.560) 5.372 6.067 ( 2.777 1.603 -1.733) 3.644 6.367 ( -5.053 -2.917 0.700) 5.877 6.832 ( 4.970 2.869 0.079) 5.740 7.058 ( -14.860 -8.580 -1.044) 17.191 7.725 ( 9.175 5.297 0.731) 10.619 8.510 ( -16.661 -9.620 -6.556) 20.325 8.965 ( 9.516 5.494 -13.723) 17.580 9.630 ( -3.072 -1.774 -0.078) 3.548 10.093 ( -1.578 -0.911 20.474) 20.555 10.756 ( 7.143 4.124 -0.083) 8.248 12.692 ( -10.538 -6.084 1.826) 12.304 13.486 ( -2.218 -1.280 -8.845) 9.208 14.651 ( -1.682 -0.971 2.441) 3.120 15.178 ( 13.637 7.873 1.167) 15.790 18.378 ( 3.536 2.042 -0.242) 4.090 18.838 ( -2.565 -1.481 0.006) 2.962 19.015 ( 0.182 0.105 -0.363) 0.419 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( -4.842 -2.796 -0.308) 5.600 3.387 ( -9.561 -5.520 0.473) 11.050 3.774 ( -2.730 -1.576 -0.672) 3.223 4.029 ( 10.672 6.162 0.964) 12.361 4.416 ( -20.119 -11.616 -2.968) 23.421 5.234 ( -13.100 -7.563 5.861) 16.223 5.657 ( -4.573 -2.640 1.404) 5.464 6.124 ( 2.602 1.502 -2.455) 3.880 6.161 ( -13.446 -7.763 2.854) 15.786 6.733 ( -12.174 -7.029 -3.537) 14.496 7.016 ( 10.649 6.148 0.375) 12.303 7.899 ( 5.741 3.315 1.886) 6.892 8.085 ( -18.546 -10.708 -5.883) 22.209 9.143 ( 7.255 4.189 -10.494) 13.428 9.531 ( -5.304 -3.062 -0.442) 6.141 9.981 ( -11.749 -6.783 12.773) 18.633 10.989 ( 12.722 7.345 -0.106) 14.691 12.392 ( -15.384 -8.882 6.115) 18.787 13.422 ( -0.598 -0.345 -10.014) 10.038 14.659 ( 1.706 0.985 4.092) 4.541 15.555 ( 18.171 10.491 0.699) 20.994 18.501 ( 7.074 4.084 -0.782) 8.206 18.751 ( -4.907 -2.833 0.000) 5.667 19.008 ( -0.996 -0.575 -0.326) 1.195 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -4.515 -2.607 -0.143) 5.216 3.115 ( -14.077 -8.127 0.415) 16.260 3.688 ( -4.404 -2.543 -1.280) 5.244 3.843 ( -25.143 -14.516 -5.919) 29.630 4.253 ( 3.417 1.973 4.261) 5.807 4.908 ( -13.353 -7.709 0.960) 15.449 5.519 ( -8.050 -4.648 3.939) 10.096 5.767 ( -20.865 -12.046 5.434) 24.698 6.181 ( 2.709 1.564 -2.094) 3.764 6.484 ( -8.459 -4.884 -6.628) 11.804 7.276 ( 8.385 4.841 -1.672) 9.826 7.642 ( -16.430 -9.486 -4.706) 19.547 8.012 ( 3.696 2.134 4.030) 5.870 9.162 ( -10.736 -6.199 15.041) 19.491 9.386 ( -7.001 -4.042 -1.471) 8.217 9.687 ( -7.796 -4.501 -16.278) 18.602 11.328 ( 16.157 9.328 -0.043) 18.657 12.022 ( -17.928 -10.351 7.866) 22.145 13.450 ( 4.857 2.804 -6.529) 8.607 14.747 ( 5.193 2.998 4.228) 7.337 15.999 ( 19.697 11.372 0.408) 22.748 18.615 ( -6.807 -3.930 -0.001) 7.860 18.698 ( 10.006 5.777 -1.187) 11.615 18.953 ( -4.015 -2.318 0.010) 4.636 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -19.061 -11.005 0.161) 22.011 2.838 ( -18.179 -10.496 2.241) 21.111 3.319 ( -13.673 -7.894 -6.833) 17.203 3.568 ( -5.597 -3.232 -2.033) 6.775 4.046 ( -22.004 -12.704 1.622) 25.460 4.804 ( 4.057 2.342 -0.109) 4.686 5.246 ( -24.711 -14.267 5.831) 29.123 5.307 ( -10.737 -6.199 3.944) 13.010 6.200 ( -3.622 -2.091 -0.911) 4.280 6.313 ( -4.937 -2.850 -6.241) 8.453 7.007 ( -20.544 -11.861 -8.994) 25.369 7.666 ( 10.076 5.817 2.022) 11.809 8.089 ( 2.034 1.174 5.098) 5.613 8.668 ( -29.581 -17.079 17.955) 38.589 9.208 ( -7.726 -4.461 -2.436) 9.248 9.663 ( 5.603 3.235 -20.477) 21.475 11.598 ( -19.885 -11.480 6.262) 23.799 11.719 ( 17.327 10.004 -0.012) 20.008 13.607 ( 9.084 5.245 -2.408) 10.762 14.921 ( 9.186 5.304 3.471) 11.161 16.449 ( 18.724 10.811 0.210) 21.622 18.442 ( -8.007 -4.623 0.000) 9.245 18.800 ( -8.129 -4.694 -0.147) 9.388 18.963 ( 11.721 6.767 -0.542) 13.545 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -31.312 -18.078 1.459) 36.185 2.229 ( -24.660 -14.237 -0.129) 28.475 3.184 ( -0.966 -0.558 -6.630) 6.723 3.389 ( -33.405 -19.286 3.060) 38.694 3.427 ( -5.931 -3.425 -3.114) 7.524 4.676 ( -24.938 -14.398 5.416) 29.301 4.936 ( 5.134 2.964 0.430) 5.944 5.056 ( -11.043 -6.375 1.400) 12.828 5.768 ( -33.080 -19.099 -2.880) 38.306 6.233 ( -1.080 -0.623 -3.601) 3.811 6.744 ( 0.659 0.381 -5.996) 6.044 7.862 ( 3.386 1.955 10.639) 11.335 8.048 ( -22.825 -13.178 1.832) 26.419 8.122 ( -0.193 -0.111 3.917) 3.924 9.031 ( -6.796 -3.924 -2.305) 8.179 9.758 ( 5.105 2.947 -13.624) 14.845 11.146 ( -19.796 -11.429 5.229) 23.448 12.112 ( 16.251 9.382 -0.016) 18.765 13.830 ( 9.879 5.704 -0.518) 11.419 15.190 ( 13.502 7.795 1.248) 15.640 16.846 ( 15.096 8.715 0.013) 17.431 18.252 ( -8.173 -4.719 0.003) 9.438 18.550 ( -13.108 -7.568 0.391) 15.141 19.253 ( 12.804 7.393 0.368) 14.790 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -32.335 -18.668 2.309) 37.408 1.591 ( -30.405 -17.554 0.374) 35.111 2.504 ( -43.156 -24.916 2.528) 49.896 3.183 ( 0.085 0.049 -1.592) 1.595 3.288 ( -5.063 -2.923 -5.174) 7.807 4.152 ( -20.610 -11.899 5.777) 24.489 4.693 ( -32.482 -18.754 -3.458) 37.667 4.844 ( -10.280 -5.935 -0.280) 11.873 5.210 ( -0.356 -0.205 -1.324) 1.386 6.238 ( 1.559 0.900 -1.178) 2.152 6.840 ( 6.091 3.517 -2.614) 7.504 7.518 ( -19.276 -11.129 7.885) 23.614 7.991 ( 2.510 1.449 -0.935) 3.046 8.098 ( -2.226 -1.285 1.481) 2.966 8.896 ( -4.435 -2.560 -1.114) 5.240 9.820 ( 2.476 1.429 -12.322) 12.650 10.735 ( -16.090 -9.289 6.960) 19.840 12.453 ( 12.851 7.420 -0.019) 14.840 14.040 ( 7.942 4.586 -0.128) 9.172 15.540 ( 16.709 9.647 -6.944) 20.505 17.118 ( 7.519 4.341 -0.473) 8.695 18.075 ( -6.923 -3.997 0.004) 7.994 18.221 ( -14.346 -8.283 -0.309) 16.569 19.542 ( 11.382 6.572 5.754) 14.348 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -0.000 29.784 20.493) 36.153 0.905 ( -0.000 36.065 14.612) 38.912 1.512 ( -0.000 57.133 25.412) 62.529 3.094 ( 0.000 4.274 -15.913) 16.477 3.120 ( 0.000 2.604 -11.558) 11.848 3.844 ( -0.000 13.280 10.322) 16.820 3.957 ( -0.000 27.124 4.784) 27.543 4.661 ( 0.000 -2.753 -8.311) 8.755 5.347 ( -0.000 -6.932 10.323) 12.435 6.280 ( -0.000 -2.092 0.060) 2.093 6.954 ( 0.000 -4.761 -1.098) 4.886 7.128 ( 0.000 18.879 -7.797) 20.426 8.043 ( 0.000 2.514 -0.117) 2.517 8.057 ( -0.000 0.442 7.742) 7.755 8.819 ( 0.000 2.250 -0.235) 2.262 9.543 ( 0.000 20.050 -36.308) 41.476 10.691 ( -0.000 -11.606 28.225) 30.518 12.689 ( -0.000 -8.307 -0.004) 8.307 14.183 ( -0.000 -5.028 -0.371) 5.042 15.256 ( 0.000 38.073 -93.716) 101.154 17.115 ( 0.000 6.725 -2.469) 7.164 17.941 ( 0.000 6.903 -1.885) 7.156 17.945 ( 0.000 4.683 0.005) 4.683 20.153 ( -0.000 -34.823 48.123) 59.401 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 15.089 28.632 9.135) 33.629 1.493 ( 18.965 29.916 11.519) 37.246 2.338 ( 24.255 42.370 17.656) 51.916 3.116 ( 1.743 1.816 -8.732) 9.088 3.183 ( 5.633 5.934 -13.020) 15.378 4.070 ( 6.634 19.437 6.605) 21.575 4.522 ( 23.136 32.671 4.928) 40.335 4.691 ( 4.219 8.070 -13.227) 16.059 5.280 ( -1.326 -6.051 7.629) 9.827 6.269 ( 0.638 -0.911 0.025) 1.112 6.873 ( -1.855 -6.553 -0.989) 6.882 7.314 ( 2.134 16.994 -7.105) 18.542 8.071 ( -0.693 0.763 7.168) 7.241 8.121 ( 3.456 1.696 5.825) 6.982 8.873 ( 3.005 3.256 0.823) 4.507 9.756 ( 12.695 3.828 -17.462) 21.925 10.664 ( -1.834 9.396 7.306) 12.043 12.524 ( -6.881 -11.965 0.019) 13.802 14.090 ( -3.778 -6.634 -0.304) 7.641 15.304 ( -1.094 -0.639 -44.950) 44.968 17.161 ( -0.509 -1.213 -1.673) 2.129 17.915 ( 0.020 0.605 0.033) 0.606 18.198 ( 9.701 17.424 -3.019) 20.170 19.827 ( -11.881 -19.725 26.800) 35.334 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 22.339 25.546 1.277) 33.960 2.120 ( 18.338 24.799 7.635) 31.773 3.004 ( 9.671 7.683 -7.482) 14.441 3.311 ( 17.554 15.572 10.063) 25.532 3.353 ( 9.594 12.246 -3.225) 15.888 4.481 ( 14.396 22.372 3.043) 26.777 4.821 ( 6.612 7.892 -11.179) 15.198 5.065 ( -0.109 -0.908 7.600) 7.655 5.524 ( 27.824 27.638 3.334) 39.359 6.286 ( 1.020 1.699 -0.192) 1.991 6.789 ( 0.574 -4.721 1.469) 4.978 7.515 ( 6.505 11.962 -14.314) 19.756 8.076 ( -1.374 1.350 10.737) 10.908 8.186 ( -0.457 3.371 1.628) 3.771 8.995 ( 6.041 4.387 3.122) 8.092 9.915 ( 6.091 -0.796 -0.221) 6.146 10.882 ( 10.763 16.065 -4.984) 19.969 12.230 ( -11.243 -14.354 0.064) 18.233 13.924 ( -7.126 -6.934 -0.156) 9.944 15.096 ( -7.117 -7.359 -23.220) 25.377 17.018 ( -11.208 -5.952 -0.282) 12.693 17.978 ( 10.186 -6.355 -0.096) 12.006 18.559 ( 8.763 21.212 -1.957) 23.034 19.484 ( -13.003 -14.630 14.062) 24.101 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 21.352 20.217 -0.315) 29.406 2.651 ( 14.966 21.135 2.507) 26.018 3.115 ( 8.837 0.471 -9.200) 12.766 3.534 ( 6.154 10.126 -5.268) 12.968 3.965 ( 21.082 17.682 17.500) 32.609 4.856 ( -3.686 -4.178 1.231) 5.706 4.997 ( 16.155 19.781 1.593) 25.589 5.125 ( 9.684 8.531 -5.897) 14.189 6.140 ( 10.292 10.247 1.200) 14.573 6.347 ( 3.526 3.298 0.346) 4.841 6.945 ( 17.724 8.523 8.991) 21.624 7.628 ( 0.929 -2.501 -8.313) 8.731 8.110 ( -4.022 6.647 -2.649) 8.208 8.271 ( 8.689 13.041 -4.398) 16.276 9.169 ( 6.786 5.485 4.228) 9.696 9.976 ( 1.401 -1.501 11.380) 11.563 11.275 ( 16.558 15.675 -8.886) 24.472 11.868 ( -13.399 -14.202 0.191) 19.526 13.722 ( -7.740 -6.528 0.695) 10.149 14.857 ( -6.937 -6.637 -14.327) 17.247 16.685 ( -18.327 -7.704 0.051) 19.880 18.114 ( 15.255 -11.821 -0.026) 19.299 18.886 ( 4.605 20.586 -0.678) 21.105 19.151 ( -12.517 -11.994 7.808) 19.013 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 6.522 4.709 -1.919) 8.271 3.045 ( 10.811 16.528 3.154) 20.000 3.443 ( 21.871 10.028 -9.144) 25.740 3.748 ( 6.740 15.611 -3.342) 17.330 4.330 ( 0.969 0.114 11.620) 11.661 4.811 ( 7.076 2.623 3.042) 8.136 5.336 ( 11.040 6.219 -1.792) 12.797 5.551 ( 17.283 20.373 -0.738) 26.726 6.209 ( -0.655 -1.505 -0.689) 1.780 6.462 ( 5.449 2.638 0.711) 6.095 7.408 ( 6.191 4.247 7.466) 10.588 7.516 ( 5.136 -0.525 1.090) 5.276 8.064 ( -5.611 4.884 -3.719) 8.317 8.707 ( 19.713 20.682 -14.028) 31.830 9.336 ( 5.332 4.283 2.848) 7.409 9.985 ( -1.416 -3.150 15.491) 15.871 11.500 ( -14.072 -10.819 0.352) 17.754 11.708 ( 17.285 15.729 -8.868) 24.997 13.553 ( -4.368 -5.827 2.310) 7.640 14.673 ( -4.398 -4.736 -9.996) 11.903 16.254 ( -21.279 -8.710 0.052) 22.993 18.253 ( 16.637 -16.255 0.069) 23.260 18.853 ( -10.851 -9.543 4.608) 15.167 19.122 ( -0.496 19.615 -0.035) 19.621 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 5.348 0.432 -0.378) 5.379 3.354 ( 6.609 13.873 1.991) 15.495 3.743 ( 5.679 6.136 -3.716) 9.150 4.141 ( -0.332 5.038 -4.173) 6.550 4.198 ( 9.217 7.006 0.613) 11.594 5.079 ( 12.315 5.076 5.587) 14.444 5.551 ( 8.179 3.057 0.363) 8.739 6.010 ( 13.525 14.324 -0.204) 19.701 6.182 ( -0.239 0.393 1.482) 1.552 6.586 ( 7.881 -1.373 1.446) 8.129 7.209 ( -12.013 -1.169 -3.732) 12.634 7.887 ( 16.504 7.194 -0.787) 18.021 8.006 ( -6.690 4.814 1.514) 8.380 9.193 ( 15.994 13.993 -0.771) 21.265 9.436 ( 4.036 -1.951 0.340) 4.495 9.926 ( -4.828 -1.668 5.838) 7.757 11.177 ( -13.938 -4.799 0.234) 14.743 12.153 ( 16.757 16.979 -5.262) 24.429 13.473 ( 0.944 -5.661 2.486) 6.254 14.570 ( -0.929 -2.686 -6.886) 7.449 15.792 ( -21.177 -9.005 0.002) 23.012 18.357 ( 16.372 -20.263 0.077) 26.051 18.610 ( -8.253 -7.150 2.853) 11.286 19.267 ( -5.092 19.501 0.141) 20.155 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 6.989 -0.027 0.774) 7.032 3.561 ( 2.637 10.629 1.273) 11.025 3.817 ( -2.857 -0.700 -0.010) 2.942 3.917 ( -7.817 -0.536 0.485) 7.850 4.659 ( 14.654 16.218 -8.473) 23.442 5.300 ( 8.082 1.281 4.825) 9.500 5.680 ( 5.631 -0.471 0.453) 5.668 6.123 ( -0.884 -2.800 2.259) 3.704 6.349 ( 4.622 11.247 0.667) 12.179 6.703 ( 7.892 -7.380 4.875) 11.854 7.090 ( -2.344 10.218 -7.972) 13.170 7.905 ( -10.769 4.327 2.566) 11.886 8.206 ( 14.186 5.769 -10.759) 18.716 9.386 ( -1.360 -13.683 19.320) 23.714 9.503 ( 5.658 1.058 5.333) 7.847 9.889 ( 0.059 10.649 -12.302) 16.271 10.931 ( -12.520 2.015 -0.018) 12.681 12.581 ( 12.785 16.434 -1.321) 20.863 13.461 ( 3.877 -6.859 -0.925) 7.933 14.561 ( 3.147 -0.354 -3.448) 4.682 15.359 ( -18.052 -8.414 0.047) 19.917 18.411 ( 12.187 -20.127 -0.099) 23.529 18.443 ( -1.655 -8.080 1.842) 8.450 19.345 ( -8.461 19.851 0.095) 21.579 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 7.201 -1.197 1.382) 7.430 3.620 ( -4.208 -4.702 2.071) 6.641 3.685 ( -2.984 5.341 0.780) 6.168 3.910 ( -3.790 8.651 -0.703) 9.471 4.930 ( 2.942 10.012 -8.232) 13.291 5.417 ( 4.237 -0.938 5.790) 7.236 5.763 ( 5.428 -2.234 -0.454) 5.888 6.056 ( -2.780 -3.765 2.929) 5.521 6.469 ( -1.159 7.772 0.059) 7.858 6.706 ( 2.377 -7.419 0.333) 7.798 7.274 ( 8.442 9.004 -2.193) 12.536 7.732 ( -14.597 6.627 1.705) 16.122 8.457 ( 12.990 4.020 -21.648) 25.564 9.146 ( -11.401 -15.147 13.905) 23.511 9.546 ( 3.989 -7.479 5.826) 10.285 10.068 ( 3.754 13.879 3.077) 14.704 10.793 ( -8.801 7.711 0.081) 11.701 12.865 ( 2.358 11.491 -0.354) 11.736 13.449 ( 4.143 -8.168 -5.191) 10.528 14.646 ( 5.197 1.509 -0.708) 5.458 15.034 ( -9.452 -5.513 0.696) 10.964 18.345 ( -1.479 -2.430 0.772) 2.948 18.438 ( 14.920 -25.220 0.019) 29.303 19.378 ( -10.635 19.903 -0.019) 22.566 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( -2.969 -7.086 1.212) 7.778 3.621 ( 5.606 0.967 2.052) 6.047 3.681 ( -3.140 4.848 0.495) 5.798 3.918 ( -5.109 8.391 0.025) 9.824 4.928 ( -8.405 3.142 -8.009) 12.027 5.459 ( 0.287 -2.877 9.437) 9.870 5.768 ( -1.262 -5.714 0.009) 5.852 6.022 ( 2.285 -0.804 -0.286) 2.439 6.473 ( -5.673 5.035 0.403) 7.596 6.675 ( 3.709 -9.070 -2.340) 10.074 7.332 ( -10.831 3.204 2.971) 11.679 7.697 ( 1.938 12.322 -1.399) 12.552 8.576 ( -0.011 -3.868 -26.275) 26.558 8.868 ( -3.266 -6.707 8.278) 11.143 9.555 ( 4.702 -7.644 3.561) 9.655 10.224 ( -2.670 8.282 16.148) 18.343 10.791 ( -2.235 11.455 -0.020) 11.671 12.864 ( -10.034 3.188 -0.426) 10.537 13.417 ( 2.729 -7.811 -7.973) 11.490 14.667 ( -1.944 -2.594 1.015) 3.397 15.041 ( 9.896 5.258 1.313) 11.283 18.339 ( 2.113 -0.115 0.234) 2.129 18.436 ( 14.309 -25.815 -0.191) 29.516 19.376 ( -12.015 19.154 -0.114) 22.611 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( -3.575 -6.391 0.200) 7.326 3.552 ( -10.683 2.343 0.350) 10.943 3.824 ( 3.714 2.529 0.978) 4.599 3.930 ( 1.998 7.058 1.297) 7.449 4.673 ( -18.715 -3.282 -7.058) 20.269 5.359 ( -8.532 -8.566 10.327) 15.900 5.676 ( -1.984 -4.633 0.229) 5.045 6.074 ( 3.310 0.060 -2.349) 4.059 6.363 ( -12.283 1.707 1.887) 12.544 6.625 ( 3.944 -13.387 -2.862) 14.246 7.187 ( -10.955 11.775 1.235) 16.130 7.880 ( 4.456 9.391 0.687) 10.418 8.264 ( -15.902 -10.603 -9.102) 21.169 8.950 ( 11.225 -2.121 -10.811) 15.728 9.562 ( 0.436 -2.143 2.907) 3.638 10.181 ( -11.417 -0.407 15.906) 19.583 10.932 ( 4.277 11.870 0.062) 12.617 12.630 ( -16.771 -2.024 3.646) 17.281 13.355 ( 1.911 -6.535 -10.749) 12.724 14.633 ( 1.194 -2.146 2.696) 3.647 15.368 ( 16.282 11.051 0.843) 19.696 18.413 ( 11.925 -23.575 -0.044) 26.420 18.417 ( 6.445 -0.097 -0.373) 6.456 19.342 ( -13.046 17.332 -0.135) 21.694 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( -2.245 -4.545 -0.802) 5.133 3.337 ( -15.570 0.199 0.367) 15.576 3.781 ( -7.628 2.178 0.164) 7.935 4.091 ( -3.891 -1.273 -5.217) 6.631 4.252 ( -12.263 -2.459 1.638) 12.614 5.070 ( -14.323 -10.433 5.041) 18.423 5.577 ( -4.640 -6.105 2.848) 8.180 6.050 ( -16.600 -5.213 3.290) 17.708 6.144 ( -0.365 1.101 -1.872) 2.202 6.529 ( -2.660 -6.574 -3.816) 8.053 7.237 ( 2.531 11.011 -1.163) 11.357 7.812 ( -17.735 -11.731 -6.490) 22.232 8.058 ( 0.868 9.785 4.956) 11.003 9.083 ( 10.216 -6.250 -7.853) 14.321 9.515 ( -7.912 1.227 4.918) 9.396 9.890 ( -19.241 -4.909 2.447) 20.008 11.170 ( 11.151 9.090 -0.399) 14.392 12.282 ( -19.862 -5.696 6.844) 21.767 13.352 ( 5.762 -1.582 -8.660) 10.522 14.679 ( 4.862 -0.494 2.741) 5.603 15.798 ( 18.277 13.590 0.527) 22.782 18.355 ( 9.478 -24.439 -0.129) 26.213 18.573 ( 9.288 3.256 -0.394) 9.850 19.265 ( -14.314 14.308 -0.043) 20.239 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -6.538 -3.409 -0.145) 7.375 3.019 ( -18.544 -1.963 0.325) 18.651 3.517 ( -23.046 -10.751 -3.411) 25.658 3.717 ( -12.726 1.650 -5.538) 13.976 4.258 ( -8.613 -3.471 5.836) 10.968 4.783 ( -4.357 -4.365 0.450) 6.184 5.397 ( -8.781 -8.142 3.963) 12.614 5.608 ( -25.042 -6.974 4.336) 26.354 6.193 ( 2.563 0.795 -2.174) 3.454 6.402 ( -6.559 0.430 -4.487) 7.959 7.267 ( -21.183 -6.688 -5.246) 22.825 7.492 ( 9.004 -1.474 -1.512) 9.248 8.172 ( -1.693 9.976 6.612) 12.087 9.052 ( -16.809 -9.972 18.160) 26.679 9.214 ( -9.901 -11.170 -8.822) 17.339 9.674 ( -4.116 9.234 -13.753) 17.069 11.493 ( 16.857 6.365 -0.293) 18.021 11.864 ( -21.343 -8.716 5.567) 23.717 13.486 ( 9.569 3.280 -3.796) 10.804 14.804 ( 8.562 1.334 1.603) 8.812 16.257 ( 18.080 13.900 0.318) 22.808 18.252 ( 5.887 -22.555 -0.006) 23.310 18.797 ( 12.121 4.165 -0.198) 12.818 19.124 ( -16.360 10.364 0.221) 19.368 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -26.444 -6.706 0.277) 27.283 2.668 ( -29.679 -5.490 1.878) 30.241 3.159 ( -2.719 -4.286 -7.367) 8.946 3.541 ( -9.844 0.452 -3.751) 10.544 3.818 ( -29.930 -9.909 5.348) 31.978 4.848 ( 7.473 1.640 0.517) 7.668 5.035 ( -26.302 -8.510 5.032) 28.099 5.196 ( -12.576 -5.869 0.976) 13.913 6.118 ( -16.685 -4.310 -0.538) 17.242 6.310 ( -5.667 3.725 -3.132) 7.470 6.786 ( -13.823 -6.431 -5.887) 16.343 7.700 ( 12.438 -0.982 -0.928) 12.511 8.190 ( -7.757 1.551 7.266) 10.741 8.466 ( -29.124 -7.037 9.544) 31.446 9.066 ( -2.978 -6.380 -4.003) 8.099 9.740 ( 1.484 9.765 -10.965) 14.758 11.405 ( -21.406 -9.541 3.305) 23.668 11.866 ( 19.162 4.436 -0.006) 19.669 13.703 ( 10.729 4.631 -1.014) 11.729 15.011 ( 12.731 2.803 -1.009) 13.075 16.686 ( 15.789 11.928 0.120) 19.789 18.115 ( 2.738 -19.130 0.090) 19.325 18.893 ( -19.013 6.563 -0.475) 20.119 19.076 ( 13.756 3.908 1.903) 14.426 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -34.574 -7.794 0.753) 35.450 2.065 ( -33.659 -3.758 2.238) 33.942 3.058 ( -28.107 -5.951 -6.546) 29.467 3.179 ( -9.685 -3.785 7.163) 12.627 3.394 ( -9.571 0.669 -4.286) 10.508 4.495 ( -27.052 -6.013 4.173) 28.025 4.926 ( -7.744 -2.141 -6.890) 10.584 4.990 ( -2.108 -1.246 6.648) 7.084 5.472 ( -38.953 -7.096 -1.219) 39.612 6.269 ( -2.590 3.432 -1.766) 4.648 6.744 ( 6.199 1.299 -2.564) 6.832 7.763 ( -15.846 -10.298 -8.252) 20.621 7.909 ( 1.372 -1.304 16.453) 16.562 8.221 ( -8.128 3.357 -0.147) 8.795 8.949 ( -4.557 -2.076 -0.562) 5.039 9.826 ( 0.368 7.244 -8.037) 10.826 10.966 ( -19.379 -7.468 2.381) 20.904 12.229 ( 18.083 2.577 0.003) 18.266 13.923 ( 9.849 3.000 -0.230) 10.298 15.289 ( 16.543 2.831 -7.659) 18.448 17.020 ( 10.989 6.913 -0.201) 12.985 17.981 ( 0.538 -12.251 0.113) 12.264 18.580 ( -21.799 2.976 -0.854) 22.018 19.370 ( 14.787 2.728 5.835) 16.129 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -0.000 32.617 8.564) 33.723 1.663 ( -0.000 33.332 10.347) 34.901 2.629 ( -0.000 42.046 14.931) 44.619 3.124 ( 0.000 4.373 -6.554) 7.880 3.153 ( 0.000 7.957 -14.250) 16.321 4.250 ( -0.000 22.602 7.792) 23.907 4.661 ( 0.000 22.579 -4.917) 23.108 4.777 ( 0.000 32.177 -5.190) 32.593 5.244 ( -0.000 -4.701 5.526) 7.255 6.230 ( -0.000 -2.562 0.113) 2.565 6.804 ( 0.000 -8.455 -2.631) 8.855 7.517 ( 0.000 21.511 -6.245) 22.400 8.105 ( 0.000 3.437 -0.458) 3.468 8.120 ( -0.000 1.171 18.049) 18.087 8.887 ( 0.000 4.586 -0.166) 4.589 9.615 ( 0.000 1.830 -17.626) 17.721 10.815 ( -0.000 13.030 4.634) 13.830 12.453 ( -0.000 -14.833 0.010) 14.833 14.036 ( -0.000 -9.188 -0.405) 9.197 15.212 ( 0.000 -2.984 -36.718) 36.839 17.107 ( -0.000 -7.600 -0.801) 7.642 18.075 ( 0.000 7.997 0.012) 7.997 18.190 ( 0.000 17.510 -3.032) 17.771 19.764 ( -0.000 -22.725 22.652) 32.086 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 8.986 31.438 2.588) 32.800 2.137 ( 12.904 29.080 8.598) 32.956 2.957 ( 2.589 6.218 -8.397) 10.764 3.258 ( 6.559 11.638 -7.190) 15.171 3.363 ( 9.561 27.362 11.489) 31.179 4.565 ( 6.411 26.293 5.796) 27.677 4.815 ( 2.632 12.197 -10.290) 16.174 5.078 ( -0.765 -1.373 6.806) 6.986 5.473 ( 15.652 38.537 1.273) 41.614 6.244 ( 3.433 -1.032 -1.732) 3.982 6.716 ( 0.432 -6.966 -1.469) 7.132 7.620 ( -5.348 12.923 -10.548) 17.518 8.177 ( 0.001 6.076 8.512) 10.458 8.200 ( 2.235 5.769 9.583) 11.407 8.962 ( 3.183 4.987 2.263) 6.334 9.702 ( 11.883 -2.583 -10.396) 15.998 10.976 ( 0.642 19.242 -0.721) 19.267 12.229 ( -6.781 -16.927 0.053) 18.235 13.919 ( -2.246 -10.133 -0.338) 10.384 15.061 ( -3.495 -7.267 -23.843) 25.170 17.016 ( 0.532 -12.493 -0.242) 12.507 17.981 ( -10.737 5.662 -0.038) 12.138 18.558 ( 13.623 18.298 -1.865) 22.888 19.523 ( -7.064 -19.440 14.857) 25.467 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 15.685 27.017 -0.941) 31.254 2.660 ( 12.822 25.253 4.633) 28.698 2.990 ( 3.567 0.224 -9.411) 10.066 3.488 ( 9.373 10.369 -7.076) 15.666 3.907 ( 13.945 25.759 16.991) 33.863 4.874 ( -2.502 -2.889 1.008) 3.953 5.013 ( 9.988 24.723 5.679) 27.262 5.076 ( 4.149 9.338 -4.906) 11.335 6.094 ( 10.930 17.938 2.057) 21.106 6.307 ( 4.455 3.026 -5.281) 7.542 6.777 ( 11.596 7.234 4.908) 14.522 7.588 ( -2.168 -1.212 -7.157) 7.576 8.236 ( -2.110 6.086 -8.788) 10.896 8.353 ( 1.151 18.629 9.729) 21.048 9.115 ( 6.845 5.125 7.661) 11.480 9.858 ( 10.308 -4.405 -1.056) 11.259 11.239 ( 6.897 21.287 -4.641) 22.853 11.910 ( -9.679 -16.869 0.235) 19.450 13.754 ( -4.860 -9.997 -0.146) 11.117 14.861 ( -5.464 -7.314 -15.315) 17.830 16.839 ( -7.301 -12.501 0.090) 14.477 17.883 ( -1.660 -2.649 0.068) 3.127 18.950 ( 10.341 17.548 -0.746) 20.383 19.225 ( -9.370 -15.417 8.882) 20.109 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 4.841 6.176 -1.644) 8.018 3.043 ( 12.820 18.343 2.325) 22.499 3.226 ( 15.555 19.853 -9.167) 26.835 3.757 ( 9.283 13.534 -3.174) 16.716 4.331 ( 5.660 9.089 13.459) 17.198 4.759 ( -0.221 -2.633 1.649) 3.115 5.257 ( 6.837 10.067 -0.013) 12.169 5.512 ( 13.490 24.895 2.384) 28.415 6.185 ( 0.318 -3.278 -2.639) 4.220 6.416 ( 3.320 3.442 -3.163) 5.734 7.246 ( 18.995 15.390 10.321) 26.537 7.494 ( -2.315 -7.215 -3.348) 8.284 8.208 ( -4.860 7.123 -10.896) 13.895 8.672 ( 8.941 24.360 -1.053) 25.970 9.298 ( 5.502 4.349 8.118) 10.727 9.948 ( 4.696 -4.492 4.845) 8.106 11.579 ( -4.853 -8.378 -0.494) 9.694 11.617 ( 7.609 16.514 -5.484) 18.992 13.564 ( -5.142 -9.928 0.633) 11.199 14.676 ( -4.718 -5.730 -10.264) 12.666 16.513 ( -16.589 -10.190 0.250) 19.471 17.868 ( 7.722 -11.904 0.081) 14.189 18.927 ( -9.167 -12.711 5.339) 16.557 19.269 ( 5.340 17.270 -0.169) 18.077 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 3.895 -0.227 -0.189) 3.906 3.421 ( 6.847 18.816 3.146) 20.269 3.662 ( 12.902 15.366 -9.667) 22.272 4.094 ( 12.641 17.801 -2.637) 21.991 4.256 ( -9.113 -7.657 3.434) 12.388 4.938 ( 10.995 6.325 5.897) 13.988 5.467 ( 6.585 6.317 3.131) 9.647 5.960 ( 10.321 17.574 0.621) 20.390 6.167 ( 3.155 -0.082 0.375) 3.179 6.482 ( 3.114 -0.412 -0.255) 3.151 7.333 ( -6.111 -3.984 -7.645) 10.567 7.683 ( 14.701 7.330 2.514) 16.618 8.195 ( -5.159 10.269 0.826) 11.522 9.090 ( 13.519 15.127 4.036) 20.685 9.392 ( 0.315 2.790 -1.381) 3.129 9.960 ( 0.147 -2.725 3.014) 4.066 11.335 ( -8.910 -4.854 0.924) 10.189 12.054 ( 15.189 21.729 -5.359) 27.047 13.399 ( -1.736 -10.789 1.291) 11.004 14.547 ( -2.235 -3.913 -6.947) 8.281 16.086 ( -21.242 -8.502 0.287) 22.882 17.892 ( 12.417 -19.091 0.097) 22.774 18.674 ( -7.908 -9.653 3.254) 12.896 19.492 ( 0.680 16.807 0.042) 16.821 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 5.496 -0.660 1.266) 5.679 3.671 ( 1.255 15.978 1.760) 16.124 3.867 ( -2.255 1.328 -0.805) 2.737 4.027 ( -4.084 0.425 -1.041) 4.236 4.555 ( 15.621 20.344 -9.060) 27.202 5.174 ( 9.387 1.879 6.826) 11.757 5.595 ( 3.396 0.466 2.146) 4.044 6.090 ( 1.815 -1.813 -0.694) 2.658 6.406 ( 5.967 16.305 1.898) 17.466 6.530 ( 5.951 -4.816 7.359) 10.619 7.196 ( -4.518 2.601 -13.761) 14.716 7.952 ( 12.107 2.695 -9.240) 15.467 8.215 ( -7.929 12.203 9.749) 17.516 9.259 ( 1.802 -14.500 13.401) 19.827 9.499 ( 3.273 11.544 2.121) 12.185 9.946 ( 0.581 4.703 -8.607) 9.825 11.178 ( -10.101 5.696 0.040) 11.597 12.528 ( 14.733 20.829 -1.705) 25.569 13.294 ( 2.885 -12.817 -0.637) 13.153 14.498 ( 1.583 -1.794 -4.011) 4.671 15.630 ( -21.643 -7.248 0.322) 22.826 17.908 ( 14.264 -24.112 0.028) 28.015 18.479 ( -5.639 -6.771 1.976) 9.030 19.634 ( -3.409 16.685 0.069) 17.030 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 7.050 -0.892 1.959) 7.371 3.655 ( -7.087 -9.250 2.680) 11.957 3.825 ( -2.728 12.184 0.276) 12.489 4.091 ( -3.252 13.940 -1.280) 14.371 4.935 ( 8.911 14.350 -12.517) 21.024 5.336 ( 6.261 0.416 9.399) 11.301 5.634 ( 4.234 -3.973 -0.037) 5.806 6.060 ( -1.684 -4.413 2.014) 5.135 6.554 ( 3.524 0.243 2.319) 4.225 6.628 ( -0.805 6.505 2.373) 6.971 7.219 ( 5.408 5.450 -7.582) 10.790 8.072 ( -8.942 10.602 0.360) 13.874 8.240 ( 6.833 2.653 -11.608) 13.728 9.127 ( -2.231 -13.256 7.590) 15.437 9.506 ( -4.419 -7.344 12.858) 15.453 10.119 ( 6.902 15.440 -4.404) 17.476 11.089 ( -11.528 13.639 -0.145) 17.859 12.925 ( 7.824 16.259 -0.417) 18.048 13.226 ( 6.057 -15.041 -4.073) 16.719 14.555 ( 5.922 1.166 -1.402) 6.196 15.216 ( -17.792 -5.474 0.513) 18.623 17.906 ( 15.229 -27.005 -0.152) 31.004 18.355 ( -2.740 -4.154 1.157) 5.109 19.713 ( -6.637 16.482 0.020) 17.769 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 2.144 -4.704 2.089) 5.575 3.518 ( 2.309 -4.508 2.546) 5.669 3.861 ( -6.375 10.315 -0.299) 12.130 4.142 ( -7.038 14.127 0.374) 15.787 5.060 ( -2.549 5.797 -12.747) 14.234 5.441 ( 2.004 0.585 11.947) 12.128 5.676 ( 4.637 -5.996 -0.130) 7.581 5.984 ( -0.742 -4.055 1.316) 4.327 6.533 ( 0.285 -8.868 -2.939) 9.347 6.672 ( -5.413 11.995 0.998) 13.198 7.381 ( 6.645 1.897 2.997) 7.532 7.947 ( -13.815 12.125 -2.083) 18.499 8.387 ( 9.727 -0.429 -24.274) 26.154 8.936 ( -8.839 -9.574 10.985) 17.042 9.413 ( 2.707 -7.558 6.521) 10.342 10.361 ( 2.115 11.910 9.953) 15.664 11.052 ( -10.271 17.355 -0.237) 20.168 13.022 ( -3.104 -1.438 -8.718) 9.365 13.236 ( 5.833 -5.701 0.764) 8.193 14.663 ( 1.639 -0.381 0.003) 1.682 14.990 ( -1.593 2.573 0.955) 3.173 17.900 ( 15.925 -27.762 -0.346) 32.007 18.308 ( 0.562 -1.869 0.607) 2.043 19.737 ( -9.097 15.693 -0.034) 18.138 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( -3.278 -7.406 1.280) 8.200 3.654 ( 10.856 1.224 2.489) 11.205 3.809 ( -9.611 7.815 -0.590) 12.401 4.133 ( -9.325 12.228 1.372) 15.439 4.927 ( -13.068 0.125 -11.737) 17.565 5.424 ( -5.687 -6.416 14.404) 16.763 5.639 ( 0.363 -5.817 0.216) 5.832 6.002 ( 4.053 -0.481 -2.355) 4.712 6.445 ( 2.025 -9.373 -3.717) 10.285 6.629 ( -12.076 8.029 1.611) 14.591 7.435 ( -4.310 3.358 5.720) 7.911 7.932 ( 0.002 11.601 -5.363) 12.780 8.349 ( -6.027 -7.538 -17.855) 20.296 8.776 ( -0.004 -5.112 3.127) 5.993 9.485 ( 7.256 -0.006 4.435) 8.504 10.414 ( -8.838 3.719 14.203) 17.136 11.086 ( -5.766 16.524 -0.273) 17.503 12.877 ( -8.731 -2.561 -4.197) 10.020 13.208 ( 0.521 -8.549 -4.413) 9.635 14.603 ( -1.419 -4.005 1.287) 4.439 15.219 ( 13.863 12.308 0.713) 18.552 17.902 ( 15.706 -26.773 -0.407) 31.042 18.339 ( 4.065 -0.018 0.246) 4.072 19.711 ( -11.019 14.011 -0.055) 17.825 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -2.071 -5.734 -0.009) 6.097 3.641 ( -15.154 5.912 -0.351) 16.270 3.885 ( 7.288 2.368 1.662) 7.841 4.091 ( -6.060 8.551 2.296) 10.729 4.563 ( -22.428 -4.587 -9.446) 24.764 5.205 ( -11.421 -10.239 9.522) 18.054 5.584 ( -2.112 -4.827 1.780) 5.561 6.055 ( 2.930 -0.222 -3.354) 4.459 6.349 ( -9.155 -6.769 0.041) 11.386 6.488 ( -4.871 2.758 1.549) 5.808 7.385 ( -6.660 7.473 -1.761) 10.164 7.987 ( -12.574 -6.549 -7.954) 16.256 8.148 ( 1.504 9.477 5.252) 10.939 8.798 ( 8.868 -7.766 -8.617) 14.602 9.623 ( 1.938 6.383 3.916) 7.735 10.195 ( -18.634 -3.901 8.754) 20.955 11.163 ( -0.324 10.184 -0.947) 10.233 12.618 ( -19.908 -1.342 4.666) 20.491 13.168 ( 8.009 -6.953 -9.130) 13.994 14.591 ( 3.485 -2.649 1.357) 4.583 15.634 ( 17.137 14.731 0.550) 22.605 17.902 ( 13.816 -24.415 -0.300) 28.055 18.448 ( 7.580 1.268 0.120) 7.687 19.633 ( -12.764 11.358 -0.027) 17.086 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -0.445 -3.337 -0.946) 3.498 3.375 ( -20.211 2.709 -0.306) 20.394 3.852 ( -15.943 3.673 3.838) 16.805 3.979 ( -19.997 -4.262 -9.183) 22.414 4.277 ( 3.377 1.329 2.646) 4.491 4.894 ( -13.928 -8.205 4.077) 16.671 5.463 ( -6.156 -5.708 2.556) 8.776 5.966 ( -19.684 -3.607 1.852) 20.097 6.144 ( 1.446 -0.382 -2.008) 2.503 6.480 ( -1.464 1.346 -0.384) 2.026 7.387 ( 0.971 5.234 -4.630) 7.055 7.581 ( -21.177 -7.951 -2.492) 22.757 8.324 ( -0.411 12.009 8.553) 14.750 8.877 ( 12.207 -9.127 -8.321) 17.365 9.557 ( -22.877 -1.888 9.315) 24.772 9.852 ( -10.241 2.302 -5.234) 11.729 11.308 ( 9.315 4.706 -0.804) 10.467 12.202 ( -24.290 -4.774 3.933) 25.065 13.306 ( 12.364 0.112 -4.458) 13.144 14.669 ( 7.140 -0.987 0.198) 7.210 16.087 ( 17.955 13.778 0.386) 22.635 17.888 ( 10.455 -20.242 -0.120) 22.783 18.625 ( 10.877 1.847 0.405) 11.040 19.491 ( -14.780 7.867 0.037) 16.743 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( -8.162 -1.336 -0.255) 8.274 3.007 ( -20.242 0.170 -0.223) 20.244 3.355 ( -28.804 -3.430 -4.015) 29.285 3.738 ( -11.643 1.957 -2.385) 12.045 4.201 ( -18.179 -3.581 5.802) 19.416 4.737 ( 3.888 -0.891 0.563) 4.029 5.277 ( -10.041 -4.440 2.145) 11.187 5.514 ( -26.376 -3.283 1.688) 26.633 6.200 ( 2.376 0.695 -1.715) 3.011 6.441 ( -5.037 2.856 -1.584) 6.003 7.093 ( -25.721 -5.394 -0.181) 26.281 7.506 ( 8.448 2.053 -2.628) 9.083 8.361 ( -6.236 3.495 4.312) 8.349 8.940 ( -17.595 -9.229 -14.170) 24.403 9.002 ( -10.084 -1.041 16.418) 19.296 9.823 ( -1.976 7.401 -4.536) 8.903 11.572 ( 16.490 1.963 -0.466) 16.613 11.731 ( -23.777 -5.320 1.334) 24.401 13.536 ( 12.462 2.243 -1.106) 12.710 14.816 ( 10.527 0.049 -2.182) 10.751 16.512 ( 17.130 8.980 0.200) 19.342 17.867 ( 6.551 -12.632 0.022) 14.229 18.858 ( 13.573 1.556 1.413) 13.735 19.273 ( -17.324 3.852 0.087) 17.747 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -30.969 0.139 0.134) 30.969 2.625 ( -31.257 -0.699 0.977) 31.281 3.101 ( -0.633 1.633 -5.874) 6.130 3.543 ( -12.591 1.401 -1.035) 12.711 3.736 ( -30.450 -0.910 7.006) 31.259 4.865 ( 7.220 -0.257 0.257) 7.229 4.951 ( -26.171 -1.567 2.773) 26.365 5.123 ( -12.832 -0.393 -1.874) 12.974 6.072 ( -24.206 0.229 1.012) 24.229 6.360 ( -5.290 0.687 -2.257) 5.792 6.730 ( -8.076 2.667 1.876) 8.709 7.677 ( 8.945 0.499 -4.830) 10.178 8.164 ( -18.936 -3.875 7.259) 20.646 8.415 ( -16.690 -3.116 -6.778) 18.282 9.018 ( -2.917 2.422 5.219) 6.451 9.870 ( 0.676 4.050 -0.566) 4.144 11.284 ( -22.510 -1.738 -1.819) 22.650 11.907 ( 19.641 0.026 0.102) 19.642 13.756 ( 11.199 0.317 -0.074) 11.204 15.018 ( 13.662 -0.425 -6.784) 15.259 16.838 ( 14.656 -0.025 0.017) 14.656 17.882 ( 3.130 -0.058 0.039) 3.130 18.962 ( -19.992 0.130 -0.877) 20.011 19.129 ( 15.114 -0.224 4.604) 15.802 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.000 33.739 0.872) 33.750 2.315 ( -0.000 27.345 8.562) 28.654 2.957 ( 0.000 1.606 -11.083) 11.199 3.274 ( 0.000 9.424 -11.121) 14.577 3.646 ( -0.000 35.122 17.388) 39.191 4.792 ( -0.000 28.082 4.678) 28.469 4.894 ( 0.000 7.789 -5.393) 9.473 5.087 ( -0.000 1.373 1.744) 2.220 5.759 ( 0.000 40.805 2.301) 40.870 6.191 ( 0.000 -1.095 -0.143) 1.104 6.655 ( 0.000 -1.954 -2.405) 3.099 7.772 ( 0.000 4.649 -9.787) 10.835 8.163 ( 0.000 2.156 -0.406) 2.194 8.368 ( -0.000 16.653 18.199) 24.668 9.001 ( 0.000 6.900 -0.223) 6.904 9.529 ( 0.000 -3.286 -7.475) 8.166 11.175 ( 0.000 21.234 -2.143) 21.342 12.112 ( -0.000 -18.730 0.051) 18.730 13.821 ( -0.000 -11.861 -0.282) 11.865 14.970 ( 0.000 -7.455 -19.549) 20.922 16.847 ( -0.000 -17.077 0.062) 17.077 18.253 ( 0.000 9.443 0.021) 9.443 18.531 ( 0.000 16.066 -1.499) 16.136 19.410 ( -0.000 -20.162 12.160) 23.545 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 4.946 28.463 0.399) 28.892 2.722 ( 10.332 25.980 4.772) 28.363 2.948 ( 0.701 2.547 -10.071) 10.412 3.416 ( 7.494 9.767 -8.384) 14.895 4.068 ( 4.945 30.005 16.556) 34.624 4.874 ( -2.291 -6.498 1.913) 7.150 5.142 ( 4.998 25.729 -0.495) 26.215 5.163 ( 0.913 17.025 0.452) 17.056 6.124 ( 3.791 11.306 0.913) 11.959 6.237 ( 5.512 3.367 -3.349) 7.275 6.753 ( 5.748 18.219 3.072) 19.350 7.652 ( -8.652 -4.820 -3.158) 10.396 8.247 ( 4.627 3.356 -5.578) 7.987 8.576 ( -0.912 20.593 3.966) 20.991 9.102 ( 3.368 8.222 5.709) 10.561 9.601 ( 10.943 -3.443 -0.489) 11.482 11.397 ( 1.104 23.176 -3.945) 23.535 11.868 ( -5.571 -18.581 0.213) 19.399 13.689 ( -1.221 -12.424 -0.190) 12.485 14.831 ( -3.024 -6.878 -14.412) 16.253 16.689 ( 2.437 -19.403 0.178) 19.556 18.116 ( -17.851 7.205 -0.014) 19.250 18.878 ( 15.013 13.435 -0.536) 20.154 19.199 ( -4.311 -17.201 8.362) 19.606 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 0.914 3.150 -1.852) 3.766 3.000 ( 11.877 21.153 -1.390) 24.299 3.235 ( 11.392 26.397 -4.162) 29.050 3.678 ( 12.108 10.861 -3.896) 16.726 4.411 ( 1.473 12.509 13.046) 18.133 4.764 ( -2.057 -0.679 1.635) 2.714 5.303 ( 1.565 13.512 -0.533) 13.613 5.584 ( 9.726 26.825 5.430) 29.046 6.137 ( -0.812 -4.309 -4.177) 6.055 6.373 ( 5.294 3.296 -4.619) 7.761 7.182 ( 12.575 22.936 8.476) 27.496 7.450 ( -4.321 -9.354 -1.853) 10.469 8.311 ( -0.784 7.439 -12.806) 14.830 8.779 ( 4.122 13.903 2.120) 14.656 9.308 ( 4.296 13.324 10.402) 17.441 9.762 ( 10.571 -3.808 0.570) 11.250 11.559 ( -4.474 -11.074 -0.973) 11.983 11.706 ( 3.385 20.490 -3.527) 21.065 13.523 ( -3.290 -12.889 0.045) 13.303 14.676 ( -4.253 -5.424 -10.047) 12.184 16.518 ( -0.785 -19.133 0.310) 19.152 17.868 ( -14.224 0.604 0.062) 14.237 18.936 ( -6.077 -14.430 5.330) 16.539 19.273 ( 11.694 13.042 -0.069) 17.517 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 1.682 1.160 0.123) 2.047 3.432 ( 13.629 18.140 0.669) 22.699 3.646 ( 8.395 22.757 -9.355) 25.997 4.028 ( 13.435 13.052 0.449) 18.736 4.330 ( -7.487 -8.622 2.863) 11.772 4.899 ( 4.267 12.171 4.934) 13.809 5.473 ( 3.243 10.002 5.371) 11.806 6.018 ( 6.835 21.808 4.688) 23.330 6.070 ( 3.759 -4.479 -3.206) 6.668 6.455 ( 1.699 2.362 -3.285) 4.389 7.313 ( -0.564 -6.484 -7.430) 9.877 7.565 ( 9.063 9.642 3.162) 13.605 8.369 ( -1.075 13.436 -3.457) 13.915 8.986 ( 9.368 -1.604 12.031) 15.332 9.513 ( -1.332 19.796 -1.684) 19.912 9.872 ( 5.993 -3.454 -1.430) 7.063 11.377 ( -2.517 -7.197 1.419) 7.755 12.064 ( 9.496 25.665 -5.038) 27.825 13.325 ( -3.751 -14.101 0.735) 14.609 14.542 ( -3.456 -3.784 -6.706) 8.440 16.261 ( -9.196 -15.230 0.443) 17.796 17.656 ( -5.058 -9.101 0.045) 10.412 18.702 ( -6.521 -11.399 3.377) 13.560 19.571 ( 7.409 12.915 0.008) 14.889 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 2.917 0.965 1.973) 3.652 3.794 ( 6.298 16.162 2.522) 17.529 3.912 ( 0.189 5.801 -3.133) 6.596 4.050 ( -1.408 -1.140 -4.947) 5.268 4.497 ( 13.799 18.898 -2.933) 23.583 5.078 ( 5.069 5.296 4.207) 8.452 5.598 ( 0.261 4.080 6.410) 7.603 6.028 ( 2.280 -2.610 -3.862) 5.189 6.407 ( 8.400 7.480 11.010) 15.740 6.490 ( 2.112 8.570 -1.678) 8.984 7.234 ( -2.253 -0.212 -16.361) 16.517 7.756 ( 9.466 1.473 -5.185) 10.893 8.499 ( -4.415 15.806 11.658) 20.130 9.071 ( 6.412 -15.891 17.354) 24.388 9.659 ( -4.508 17.604 -7.267) 19.571 9.910 ( 4.348 1.292 -7.441) 8.715 11.348 ( -1.222 5.833 1.014) 6.045 12.497 ( 12.415 22.974 -2.919) 26.277 13.128 ( -1.162 -16.392 0.478) 16.440 14.463 ( -0.741 -1.794 -4.041) 4.483 15.907 ( -16.775 -9.529 0.498) 19.299 17.507 ( 3.832 -18.971 -0.019) 19.354 18.505 ( -5.396 -8.248 2.036) 10.064 19.789 ( 2.846 12.778 0.048) 13.091 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 4.516 0.664 2.603) 5.254 3.689 ( -8.426 -11.836 2.318) 14.713 4.005 ( -1.257 15.184 -0.006) 15.236 4.241 ( 4.187 15.502 -4.162) 16.588 4.883 ( 9.697 15.846 -9.635) 20.927 5.226 ( 8.752 0.140 7.151) 11.303 5.595 ( -2.417 -0.689 2.908) 3.844 6.032 ( 0.661 -3.674 -0.096) 3.734 6.460 ( 3.012 -4.746 6.605) 8.673 6.756 ( 3.617 16.869 1.762) 17.343 7.173 ( 0.123 0.898 -12.326) 12.359 7.952 ( 13.022 2.362 -12.103) 17.934 8.502 ( -13.727 9.381 11.093) 19.987 9.026 ( 2.703 -11.355 11.079) 16.094 9.571 ( -8.587 -7.202 5.116) 12.320 10.135 ( 8.753 19.377 -9.437) 23.262 11.408 ( -5.985 16.258 -0.301) 17.328 12.899 ( 11.984 11.993 2.318) 17.112 12.964 ( 2.337 -16.416 -4.757) 17.250 14.479 ( 3.746 1.686 -1.786) 4.480 15.517 ( -19.939 -3.552 0.495) 20.259 17.403 ( 10.176 -26.036 -0.169) 27.954 18.363 ( -3.384 -5.441 1.185) 6.516 19.929 ( -1.279 12.557 0.031) 12.622 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 4.716 -0.653 2.521) 5.387 3.470 ( -3.798 -9.169 2.272) 10.182 4.085 ( -5.504 13.090 -0.858) 14.226 4.408 ( -3.611 16.963 -0.077) 17.343 5.055 ( 2.857 2.824 -11.587) 12.264 5.430 ( 9.218 2.194 7.385) 12.013 5.559 ( -0.554 -0.880 2.433) 2.646 5.967 ( -2.123 -5.489 1.533) 6.081 6.447 ( 0.168 -6.768 -0.320) 6.778 6.904 ( -4.025 15.810 0.407) 16.319 7.245 ( 8.153 -0.517 -0.546) 8.188 8.151 ( 9.182 -2.542 -16.643) 19.177 8.322 ( -14.065 10.215 -0.789) 17.401 8.988 ( -2.424 -5.568 12.521) 13.916 9.354 ( -4.234 -9.913 5.327) 12.024 10.458 ( 5.164 18.833 2.262) 19.659 11.441 ( -11.045 20.058 -0.554) 22.905 12.820 ( 4.862 -19.884 -8.923) 22.330 13.165 ( 7.321 3.363 3.470) 8.772 14.603 ( 5.845 3.349 -0.385) 6.748 15.192 ( -15.945 4.760 0.495) 16.648 17.342 ( 14.784 -28.958 -0.372) 32.515 18.286 ( -0.757 -3.064 0.668) 3.226 19.997 ( -4.839 11.763 0.002) 12.719 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -2.982 -5.806 1.941) 6.809 3.472 ( 9.294 -1.473 2.164) 9.656 4.076 ( -9.244 10.941 -1.028) 14.360 4.453 ( -10.007 15.541 2.001) 18.592 5.028 ( -2.982 -2.498 -11.817) 12.441 5.499 ( -2.575 -7.014 8.284) 11.156 5.572 ( 0.236 0.892 4.634) 4.725 5.924 ( 2.958 -1.407 -1.205) 3.490 6.348 ( -1.299 -7.278 -3.896) 8.357 6.945 ( -10.634 13.804 1.983) 17.537 7.385 ( 9.110 -2.787 5.525) 11.013 8.055 ( -4.539 -1.324 -13.804) 14.592 8.324 ( -2.749 6.217 -13.347) 14.979 8.838 ( -8.339 -7.291 13.581) 17.526 9.357 ( 8.269 0.363 3.596) 9.025 10.627 ( -5.749 10.206 9.468) 15.062 11.438 ( -12.079 19.834 -0.674) 23.233 12.713 ( 7.930 -16.718 -11.494) 21.782 13.226 ( -1.727 -3.308 3.770) 5.304 14.621 ( -3.941 -3.068 0.294) 5.003 15.190 ( 3.721 16.135 0.449) 16.565 17.339 ( 17.531 -27.319 -0.475) 32.464 18.279 ( 2.255 -1.213 0.382) 2.589 19.997 ( -7.808 10.067 -0.014) 12.740 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( -3.200 -4.883 1.066) 5.935 3.683 ( 13.646 0.517 1.865) 13.783 3.971 ( -13.641 7.887 -1.014) 15.790 4.394 ( -12.711 11.783 3.003) 17.591 4.825 ( -14.503 -4.069 -12.013) 19.266 5.310 ( -9.080 -9.481 9.734) 16.343 5.572 ( -0.869 -2.137 2.842) 3.660 5.992 ( 3.949 0.898 -3.035) 5.061 6.284 ( 1.860 -5.018 -0.991) 5.443 6.791 ( -17.565 5.755 1.820) 18.573 7.508 ( 1.900 2.883 2.991) 4.568 7.992 ( 0.835 -3.990 -15.735) 16.254 8.251 ( -4.815 5.307 0.629) 7.194 8.688 ( -3.971 -5.580 4.967) 8.460 9.583 ( 10.810 6.645 1.749) 12.809 10.490 ( -16.756 -1.103 7.530) 18.403 11.392 ( -12.240 12.778 -0.984) 17.722 12.751 ( 10.379 -4.948 -5.200) 12.619 13.052 ( -11.417 -6.838 0.115) 13.308 14.535 ( -0.709 -2.785 0.314) 2.890 15.515 ( 13.043 15.187 0.453) 20.024 17.398 ( 17.407 -21.667 -0.377) 27.796 18.341 ( 5.451 -0.002 0.316) 5.460 19.928 ( -10.268 7.407 -0.008) 12.661 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -1.438 -2.297 0.272) 2.724 3.749 ( -18.446 3.886 -0.319) 18.854 3.920 ( 10.340 0.444 1.203) 10.419 4.286 ( -11.060 8.226 3.545) 14.232 4.407 ( -23.555 -5.532 -9.311) 25.925 5.066 ( -11.985 -6.237 5.154) 14.460 5.511 ( -3.803 -2.771 2.249) 5.215 6.056 ( 3.060 1.607 -2.518) 4.276 6.239 ( -6.680 -3.512 1.952) 7.795 6.554 ( -9.949 1.370 0.664) 10.065 7.497 ( -6.238 5.505 -4.945) 9.679 7.806 ( -12.071 -5.840 -4.172) 14.043 8.425 ( 8.740 12.052 10.437) 18.182 8.591 ( 1.931 -9.614 -4.366) 10.734 9.804 ( 3.798 8.502 0.668) 9.336 10.091 ( -23.757 -8.087 1.267) 25.127 11.308 ( -4.946 4.405 -0.576) 6.648 12.607 ( -24.116 -1.581 1.795) 24.234 13.037 ( 16.285 -1.932 -3.467) 16.762 14.551 ( 4.559 -1.315 -0.643) 4.788 15.903 ( 16.644 9.225 0.353) 19.032 17.503 ( 14.526 -12.474 -0.155) 19.148 18.467 ( 8.643 0.452 0.569) 8.673 19.788 ( -12.479 3.943 0.012) 13.088 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 0.154 0.350 -0.152) 0.412 3.413 ( -22.311 0.448 0.577) 22.323 3.849 ( -25.913 -3.091 -9.094) 27.636 3.969 ( -13.712 4.300 5.517) 15.393 4.292 ( 3.688 -0.886 0.739) 3.864 4.810 ( -12.314 -1.054 2.516) 12.613 5.401 ( -7.150 -0.748 1.530) 7.350 5.935 ( -22.829 -0.597 1.915) 22.917 6.134 ( 4.318 0.856 -1.506) 4.653 6.500 ( -0.794 -0.279 -1.032) 1.331 7.443 ( -4.930 3.564 -4.796) 7.746 7.497 ( -16.404 -1.007 3.432) 16.790 8.453 ( -3.728 -5.507 -3.382) 7.461 8.786 ( 12.920 5.463 5.913) 15.223 9.517 ( -31.555 -3.480 0.265) 31.747 9.898 ( -0.963 2.223 -0.703) 2.523 11.358 ( 8.144 0.449 0.405) 8.167 12.138 ( -26.311 -1.648 -1.730) 26.419 13.314 ( 14.666 1.442 0.235) 14.739 14.648 ( 7.731 -0.380 -2.652) 8.182 16.254 ( 17.880 -0.135 0.172) 17.881 17.655 ( 10.379 0.066 0.030) 10.380 18.648 ( 11.597 0.018 1.352) 11.675 19.571 ( -14.814 -0.015 0.005) 14.814 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -8.510 1.351 -0.533) 8.633 3.016 ( -21.182 0.143 1.340) 21.225 3.340 ( -26.376 4.565 -6.216) 27.480 3.769 ( -13.180 0.698 1.444) 13.277 4.197 ( -16.605 0.937 5.497) 17.516 4.740 ( 3.757 0.877 0.976) 3.979 5.258 ( -10.614 2.276 -0.560) 10.870 5.501 ( -26.632 1.528 -0.289) 26.677 6.207 ( 2.168 0.510 -0.614) 2.311 6.444 ( -4.715 -1.249 -0.989) 4.977 7.136 ( -24.436 7.828 6.067) 26.367 7.523 ( 7.866 -0.120 -0.531) 7.885 8.302 ( -4.659 -8.037 -4.556) 10.347 8.779 ( -24.143 0.295 -14.064) 27.942 9.148 ( -6.208 6.568 14.170) 16.807 9.884 ( -0.507 -1.098 4.718) 4.871 11.577 ( 16.614 -1.607 0.366) 16.696 11.690 ( -24.176 2.322 -4.696) 24.738 13.551 ( 11.784 -0.669 1.135) 11.857 14.790 ( 10.036 -0.802 -5.937) 11.688 16.511 ( 17.173 -9.139 0.031) 19.453 17.867 ( 6.488 12.633 0.056) 14.202 18.869 ( 13.929 -1.482 2.953) 14.316 19.271 ( -17.458 -3.968 -0.135) 17.904 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -0.000 20.820 6.626) 21.849 2.875 ( 0.000 20.169 0.978) 20.193 2.976 ( 0.000 15.498 -12.567) 19.953 3.421 ( 0.000 9.171 -7.703) 11.977 4.356 ( -0.000 25.545 15.701) 29.984 4.833 ( -0.000 -5.550 1.773) 5.826 5.314 ( 0.000 16.242 -4.331) 16.810 5.392 ( 0.000 29.673 2.481) 29.776 6.166 ( 0.000 0.729 -1.163) 1.372 6.192 ( 0.000 1.410 -0.782) 1.612 6.950 ( -0.000 27.025 5.273) 27.535 7.687 ( -0.000 -8.673 -0.537) 8.689 8.177 ( -0.000 -0.869 0.039) 0.869 8.787 ( 0.000 19.564 -15.393) 24.893 9.157 ( 0.000 8.625 -0.394) 8.634 9.525 ( -0.000 4.749 16.790) 17.449 11.617 ( 0.000 23.988 -5.046) 24.513 11.721 ( -0.000 -19.934 0.119) 19.934 13.570 ( -0.000 -12.933 0.208) 12.934 14.765 ( 0.000 -5.727 -12.270) 13.541 16.456 ( -0.000 -21.427 0.180) 21.427 18.442 ( 0.000 9.252 0.030) 9.252 18.788 ( 0.000 9.302 -0.285) 9.306 19.079 ( -0.000 -16.365 6.727) 17.693 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( -0.928 3.789 -2.621) 4.699 3.070 ( 4.484 19.150 2.731) 19.857 3.324 ( 8.487 29.515 -5.709) 31.237 3.576 ( 8.890 9.024 -4.826) 13.556 4.519 ( -2.437 -1.737 9.442) 9.905 4.856 ( -0.410 15.182 4.202) 15.758 5.449 ( -1.323 14.674 -1.351) 14.795 5.732 ( 4.639 26.858 3.151) 27.437 6.119 ( -1.722 -2.780 -1.791) 3.728 6.285 ( 6.579 3.044 -3.153) 7.905 7.259 ( 6.013 17.618 4.660) 19.190 7.484 ( -9.428 -7.381 1.843) 12.114 8.267 ( 8.758 0.136 -2.667) 9.156 8.849 ( -3.625 8.393 -12.377) 15.387 9.368 ( 10.680 13.614 -3.822) 17.720 9.672 ( 0.961 10.457 19.204) 21.888 11.488 ( -3.490 -17.394 -0.164) 17.741 11.873 ( 2.721 24.496 -5.278) 25.206 13.430 ( -1.392 -13.345 0.586) 13.430 14.667 ( -2.577 -4.105 -9.458) 10.628 16.266 ( 3.063 -22.450 0.190) 22.658 18.253 ( -22.452 6.140 0.045) 23.276 18.875 ( -2.176 -13.968 4.555) 14.852 19.132 ( 16.278 8.176 0.269) 18.218 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( -0.644 4.191 0.074) 4.240 3.384 ( 10.721 16.080 0.453) 19.332 3.720 ( 7.673 21.760 -8.692) 24.656 3.898 ( 15.561 13.460 1.040) 20.601 4.352 ( -6.754 -12.464 2.503) 14.396 5.049 ( -1.205 18.486 4.504) 19.065 5.572 ( -0.080 11.907 4.866) 12.863 5.970 ( 1.498 -1.290 -3.952) 4.419 6.163 ( 3.178 19.289 6.234) 20.520 6.425 ( 4.862 4.215 -3.996) 7.575 7.234 ( -1.831 -9.575 -5.197) 11.047 7.562 ( 4.264 11.131 1.591) 12.025 8.438 ( 8.059 7.175 -2.395) 11.053 8.838 ( 1.397 -4.811 6.577) 8.268 9.671 ( 9.985 7.586 -7.534) 14.629 9.823 ( -2.919 17.922 8.914) 20.228 11.303 ( 0.173 -10.894 0.585) 10.911 12.190 ( 5.851 26.327 -5.127) 27.452 13.248 ( -3.751 -14.530 1.280) 15.060 14.559 ( -3.731 -2.490 -6.556) 7.944 16.099 ( 3.037 -22.295 0.278) 22.502 17.888 ( -22.814 0.960 0.095) 22.834 18.687 ( -4.439 -11.885 3.205) 13.085 19.493 ( 14.130 8.884 0.048) 16.691 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -0.002 3.988 2.158) 4.534 3.748 ( 13.697 13.003 0.027) 18.886 3.954 ( -0.469 0.610 -0.958) 1.228 4.102 ( -3.082 5.439 -7.113) 9.470 4.376 ( 17.727 12.703 1.669) 21.872 5.168 ( -3.500 12.425 1.138) 12.959 5.684 ( -1.513 7.121 9.509) 11.976 5.934 ( 2.712 -4.501 -6.274) 8.184 6.419 ( 0.599 5.681 10.069) 11.577 6.531 ( 5.380 12.227 -1.019) 13.397 7.190 ( 3.192 0.791 -15.633) 15.975 7.662 ( 1.986 1.489 -3.405) 4.213 8.687 ( 7.023 13.131 6.554) 16.270 8.819 ( 4.185 -14.722 16.870) 22.778 9.760 ( 1.547 -5.761 -3.068) 6.707 9.990 ( -3.399 25.365 -8.791) 27.059 11.322 ( 7.678 0.757 1.376) 7.836 12.564 ( 7.505 25.223 -4.383) 26.679 13.018 ( -4.907 -16.534 2.355) 17.407 14.471 ( -2.735 -0.703 -4.027) 4.918 15.916 ( -0.417 -18.931 0.387) 18.940 17.502 ( -18.040 -6.510 0.052) 19.179 18.510 ( -4.527 -8.784 1.961) 10.074 19.789 ( 9.640 8.833 0.047) 13.075 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 1.029 3.236 2.752) 4.371 3.721 ( -8.930 -12.742 1.570) 15.639 4.093 ( 10.109 11.138 1.294) 15.097 4.272 ( 4.345 16.241 -9.248) 19.188 4.816 ( 16.779 12.212 0.396) 20.757 5.191 ( -4.044 5.364 -0.098) 6.718 5.678 ( -4.538 1.779 4.834) 6.865 5.963 ( 3.420 -2.386 -1.419) 4.405 6.406 ( -0.310 -4.265 7.839) 8.930 6.824 ( 8.002 16.732 0.822) 18.566 7.191 ( -2.827 2.730 -14.945) 15.453 7.750 ( 9.086 1.428 -5.616) 10.777 8.740 ( -1.674 -13.033 14.803) 19.794 8.907 ( 2.368 8.535 11.240) 14.310 9.625 ( -6.082 -10.771 -1.960) 12.524 10.214 ( 3.970 25.402 -11.691) 28.244 11.544 ( 8.076 11.753 0.184) 14.262 12.748 ( -2.308 -17.269 2.272) 17.570 12.910 ( 4.654 13.976 -2.698) 14.975 14.455 ( 1.063 2.836 -1.921) 3.587 15.714 ( -6.051 -9.704 0.401) 11.443 17.146 ( -9.163 -16.657 -0.084) 19.011 18.368 ( -3.547 -5.932 1.104) 6.999 20.003 ( 4.993 8.635 0.032) 9.974 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 2.586 2.202 2.411) 4.165 3.467 ( -6.620 -10.613 1.427) 12.590 4.283 ( -1.254 12.059 -0.093) 12.124 4.519 ( 7.792 13.225 -4.468) 15.987 5.096 ( -4.997 8.298 -5.740) 11.260 5.215 ( 13.499 -3.232 3.756) 14.380 5.642 ( -3.066 4.149 3.116) 6.027 5.946 ( -1.064 -4.917 0.993) 5.128 6.385 ( 0.765 -4.697 2.948) 5.598 7.097 ( 0.032 14.551 -1.715) 14.651 7.140 ( 3.468 2.209 -3.385) 5.326 7.931 ( 10.083 -0.658 -9.132) 13.620 8.581 ( -7.398 -3.750 4.173) 9.285 8.996 ( -0.676 1.963 11.918) 12.098 9.369 ( -8.523 -11.552 0.702) 14.373 10.574 ( 7.814 26.302 -4.639) 27.828 11.745 ( -1.722 13.878 -1.314) 14.046 12.553 ( 1.657 -17.231 -0.790) 17.329 13.050 ( 4.107 -1.019 -0.161) 4.235 14.554 ( 4.480 5.374 -0.526) 7.016 15.535 ( -12.003 6.391 0.330) 13.602 16.871 ( 3.389 -26.762 -0.299) 26.978 18.276 ( -1.778 -3.512 0.585) 3.979 20.134 ( 0.522 7.853 0.014) 7.870 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( -1.330 -1.448 1.792) 2.660 3.334 ( 2.963 -4.728 1.330) 5.736 4.323 ( -6.574 10.354 -0.710) 12.285 4.732 ( -0.298 14.366 0.649) 14.384 4.999 ( -3.779 -3.013 -6.885) 8.412 5.374 ( 6.285 -5.925 1.741) 8.811 5.670 ( -2.129 4.933 4.545) 7.038 5.873 ( -0.040 -3.619 0.476) 3.650 6.321 ( -2.688 -4.500 -1.888) 5.571 7.171 ( 6.668 1.613 3.248) 7.590 7.285 ( -4.692 13.084 -0.450) 13.907 7.957 ( 2.627 -9.830 -9.427) 13.871 8.503 ( -5.232 9.271 -7.820) 13.209 8.927 ( -8.286 -7.529 13.015) 17.168 9.233 ( 4.604 -3.398 2.898) 6.414 10.886 ( -3.619 21.738 3.232) 22.273 11.771 ( -3.818 7.591 -2.264) 8.793 12.435 ( -0.476 -9.216 -5.892) 10.949 13.095 ( 8.636 -10.322 2.451) 13.680 14.640 ( 0.342 0.261 0.003) 0.430 15.456 ( -11.613 20.021 0.308) 23.147 16.758 ( 16.282 -28.233 -0.454) 32.595 18.240 ( 0.542 -1.646 0.321) 1.763 20.178 ( -3.567 6.154 0.002) 7.113 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -4.280 -2.804 1.287) 5.276 3.461 ( 11.616 -0.608 0.909) 11.667 4.258 ( -10.704 6.214 -0.443) 12.385 4.725 ( -12.677 7.142 1.657) 14.645 4.932 ( -2.734 1.035 -7.502) 8.052 5.329 ( -2.309 -8.875 2.821) 9.594 5.622 ( -5.017 -0.468 4.215) 6.569 5.922 ( 4.813 1.129 -1.351) 5.124 6.239 ( -1.335 -2.061 -0.340) 2.479 7.168 ( -18.146 5.068 0.424) 18.845 7.366 ( 12.717 -0.153 1.439) 12.799 7.913 ( 2.522 -2.303 -8.059) 8.753 8.440 ( -10.242 7.211 -6.759) 14.233 8.741 ( -5.619 -7.611 12.008) 15.287 9.408 ( 13.537 1.601 1.215) 13.686 10.816 ( -18.172 4.087 2.287) 18.766 11.762 ( -12.428 10.327 -0.791) 16.178 12.412 ( 13.262 -6.665 -4.274) 15.446 13.121 ( 0.904 -5.818 1.221) 6.013 14.574 ( -5.278 -1.363 -0.087) 5.452 15.532 ( 0.214 13.314 0.282) 13.318 16.869 ( 21.396 -15.915 -0.315) 26.668 18.263 ( 3.198 -0.458 0.267) 3.242 20.134 ( -7.088 3.476 0.002) 7.895 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( -2.987 -0.252 0.920) 3.136 3.688 ( 14.360 -0.572 0.499) 14.381 4.067 ( -15.049 0.549 0.412) 15.064 4.513 ( -13.221 -3.091 -5.064) 14.491 4.788 ( -17.451 6.680 1.204) 18.724 5.183 ( -6.693 -4.181 0.326) 7.898 5.553 ( -2.639 -0.913 2.363) 3.658 6.006 ( 3.796 1.045 -0.997) 4.061 6.243 ( 1.578 0.544 2.639) 3.123 6.842 ( -19.787 -0.787 -0.672) 19.814 7.532 ( 6.058 -2.726 -6.767) 9.483 7.916 ( -4.736 6.491 -3.666) 8.832 8.363 ( 0.029 -0.493 7.486) 7.503 8.625 ( -4.509 -0.688 5.701) 7.301 9.668 ( 13.729 -0.460 -0.665) 13.752 10.449 ( -22.435 -2.994 -3.540) 22.909 11.534 ( -16.038 0.556 0.249) 16.050 12.711 ( 19.605 2.052 0.435) 19.717 12.960 ( -15.571 -0.545 -0.716) 15.597 14.503 ( -0.746 -0.193 -0.855) 1.151 15.704 ( 11.264 -0.164 0.178) 11.267 17.147 ( 18.893 0.168 -0.022) 18.893 18.342 ( 6.008 -0.048 0.463) 6.026 20.003 ( -9.996 0.003 0.013) 9.996 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( -1.200 2.345 0.756) 2.740 3.758 ( -18.118 -3.404 1.098) 18.467 3.915 ( 9.530 -1.341 0.349) 9.630 4.208 ( -12.000 -6.570 -7.684) 15.691 4.503 ( -23.613 7.547 4.065) 25.121 5.023 ( -9.815 1.565 -0.538) 9.953 5.510 ( -3.956 1.624 1.965) 4.707 6.071 ( 2.888 0.325 -0.283) 2.920 6.253 ( -7.639 3.625 3.962) 9.337 6.534 ( -9.570 -2.670 -2.215) 10.180 7.488 ( -3.071 -3.874 -6.647) 8.284 7.828 ( -13.789 8.807 -0.806) 16.381 8.352 ( 1.487 -12.094 0.263) 12.188 8.723 ( 7.910 10.927 14.811) 20.033 9.776 ( 0.001 -10.705 -3.727) 11.335 10.046 ( -18.578 4.760 -5.249) 19.884 11.321 ( -4.985 -3.629 1.329) 6.308 12.569 ( -24.000 -0.909 -3.670) 24.296 13.086 ( 15.021 6.046 3.439) 16.553 14.538 ( 4.233 0.704 -2.565) 4.999 15.901 ( 16.655 -9.500 0.039) 19.174 17.505 ( 14.479 12.656 0.166) 19.231 18.470 ( 8.789 -0.494 1.028) 8.862 19.788 ( -12.487 -3.938 0.025) 13.093 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -0.550 3.574 0.308) 3.629 3.388 ( -20.229 -3.101 1.712) 20.537 3.778 ( -17.293 -0.065 -7.343) 18.788 4.078 ( -16.900 4.174 5.150) 18.154 4.245 ( 1.267 -3.287 -1.683) 3.904 4.880 ( -11.326 6.512 2.050) 13.225 5.446 ( -7.187 4.318 0.106) 8.385 5.954 ( -21.571 2.099 -0.043) 21.673 6.162 ( 1.676 1.299 0.700) 2.233 6.482 ( -0.157 0.521 0.042) 0.546 7.406 ( 1.573 -5.038 -2.421) 5.806 7.629 ( -19.426 10.242 4.646) 22.446 8.226 ( -0.713 -11.413 -5.411) 12.651 8.997 ( 2.404 8.898 8.968) 12.860 9.449 ( -18.499 -1.129 -6.720) 19.715 9.913 ( -4.520 -1.284 4.020) 6.183 11.321 ( 8.904 -4.780 1.130) 10.169 12.133 ( -24.736 2.874 -6.073) 25.632 13.364 ( 10.809 2.601 3.800) 11.749 14.631 ( 6.478 0.370 -5.144) 8.280 16.084 ( 18.005 -13.964 -0.072) 22.785 17.890 ( 10.359 20.273 0.171) 22.767 18.637 ( 11.264 -1.886 2.089) 11.610 19.491 ( -14.838 -7.855 0.006) 16.789 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 0.000 5.812 -1.771) 6.076 3.210 ( -0.000 14.810 4.217) 15.399 3.535 ( 0.000 29.834 -6.378) 30.508 3.565 ( 0.000 7.719 -4.511) 8.940 4.484 ( -0.000 -11.599 4.925) 12.602 5.074 ( -0.000 22.369 5.700) 23.084 5.597 ( 0.000 12.169 -1.265) 12.235 5.985 ( 0.000 28.146 2.267) 28.237 6.110 ( 0.000 -2.598 -0.951) 2.766 6.239 ( 0.000 3.923 -2.310) 4.553 7.288 ( -0.000 -5.497 2.624) 6.091 7.578 ( -0.000 5.478 2.352) 5.961 8.122 ( -0.000 -4.834 0.438) 4.854 8.980 ( 0.000 9.897 -15.101) 18.055 9.334 ( 0.000 8.936 -0.459) 8.948 9.893 ( -0.000 20.488 17.344) 26.843 11.332 ( -0.000 -18.588 0.198) 18.589 12.078 ( 0.000 24.277 -6.654) 25.172 13.314 ( -0.000 -12.715 1.644) 12.821 14.639 ( 0.000 -2.189 -8.118) 8.408 16.011 ( -0.000 -22.585 0.048) 22.585 18.616 ( 0.000 7.866 0.033) 7.866 18.761 ( -0.000 -11.978 3.311) 12.427 18.966 ( -0.000 3.081 0.679) 3.155 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -1.664 7.019 -0.006) 7.213 3.395 ( 4.977 12.488 2.245) 13.629 3.708 ( 8.295 7.837 -4.466) 12.255 3.875 ( 7.907 24.242 -3.181) 25.697 4.327 ( -4.292 -12.719 1.796) 13.543 5.283 ( -1.950 19.136 3.207) 19.501 5.694 ( -0.179 8.765 1.477) 8.891 6.007 ( -6.498 0.566 -1.995) 6.821 6.295 ( 4.480 14.366 8.301) 17.186 6.376 ( 6.342 12.452 -5.422) 14.989 7.153 ( -1.949 -12.727 -2.239) 13.069 7.635 ( -0.830 7.896 -0.546) 7.958 8.204 ( 13.745 -6.632 1.405) 15.326 8.946 ( -8.567 6.069 0.296) 10.503 9.534 ( 9.872 6.365 -1.872) 11.894 10.114 ( -2.559 22.519 6.500) 23.578 11.163 ( 1.305 -14.362 0.096) 14.422 12.342 ( 4.342 24.211 -6.501) 25.442 13.172 ( -2.640 -12.798 2.988) 13.405 14.588 ( -2.565 -0.381 -6.066) 6.597 15.811 ( 2.761 -22.474 -0.004) 22.642 18.354 ( -25.925 3.877 0.075) 26.214 18.635 ( -2.162 -10.992 2.768) 11.539 19.268 ( 19.459 5.075 0.151) 20.110 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -2.163 7.054 1.577) 7.544 3.646 ( 10.533 9.933 0.598) 14.491 3.923 ( 4.929 0.955 -1.606) 5.271 4.122 ( 2.336 -6.561 -1.428) 7.110 4.273 ( 8.599 19.966 -2.054) 21.836 5.389 ( -5.132 13.843 -0.411) 14.769 5.793 ( 2.430 5.559 4.198) 7.378 5.887 ( -6.214 -0.988 -1.342) 6.434 6.495 ( 1.105 2.756 0.185) 2.975 6.543 ( 3.815 10.192 8.967) 14.101 7.106 ( 5.290 4.172 -12.623) 14.308 7.671 ( -0.918 2.070 -3.336) 4.032 8.400 ( 16.226 -12.304 5.724) 21.153 8.889 ( -3.837 6.822 8.792) 11.771 9.679 ( 2.613 -1.805 0.919) 3.306 10.288 ( -3.606 22.961 -6.276) 24.075 11.146 ( 9.109 -5.226 0.413) 10.510 12.677 ( 7.237 23.316 -6.221) 25.194 12.974 ( -5.951 -13.208 5.365) 15.448 14.523 ( -3.714 1.270 -3.909) 5.540 15.649 ( 4.298 -22.084 0.072) 22.498 17.899 ( -28.164 0.042 0.147) 28.165 18.495 ( -3.205 -8.254 1.747) 9.025 19.634 ( 16.200 5.314 0.075) 17.050 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -2.120 6.069 1.956) 6.720 3.749 ( -8.327 -12.464 0.910) 15.017 3.951 ( 14.020 7.261 -0.011) 15.788 4.319 ( 9.229 11.759 -6.602) 16.341 4.627 ( 13.463 10.084 2.197) 16.963 5.390 ( -7.699 9.633 -2.005) 12.493 5.781 ( -4.211 -0.407 -2.196) 4.766 5.889 ( 2.527 1.707 4.947) 5.811 6.419 ( -4.289 -4.668 7.017) 9.457 6.806 ( 10.957 10.752 -0.040) 15.351 7.240 ( 0.274 9.512 -14.038) 16.960 7.667 ( 1.657 1.696 -0.678) 2.466 8.479 ( 9.890 -18.588 10.058) 23.335 9.026 ( 4.099 10.382 8.558) 14.065 9.597 ( -4.711 -8.711 0.581) 9.920 10.432 ( -2.485 22.578 -12.018) 25.698 11.380 ( 17.505 3.333 0.480) 17.826 12.689 ( -8.365 -14.781 3.400) 17.321 13.014 ( 3.334 18.120 -1.919) 18.524 14.491 ( -1.548 4.216 -1.995) 4.914 15.531 ( 6.491 -18.930 0.141) 20.013 17.392 ( -27.510 -4.476 0.125) 27.872 18.372 ( -3.245 -5.521 0.937) 6.472 19.928 ( 11.543 5.154 0.037) 12.642 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( -1.103 4.589 1.484) 4.948 3.490 ( -7.823 -10.245 0.494) 12.899 4.256 ( 13.149 5.001 0.394) 14.073 4.546 ( 3.439 14.031 -5.868) 15.592 4.933 ( 15.273 -1.702 3.747) 15.818 5.317 ( -9.392 7.535 -2.504) 12.298 5.732 ( -2.547 3.051 -1.118) 4.128 5.914 ( -0.039 -3.227 2.798) 4.271 6.344 ( -0.432 -4.178 4.348) 6.046 7.121 ( 10.694 12.597 -2.414) 16.700 7.196 ( -5.697 2.321 -6.164) 8.709 7.781 ( 6.038 2.482 -1.082) 6.618 8.480 ( 7.407 -13.117 7.288) 16.734 9.135 ( -4.501 5.902 6.789) 10.059 9.396 ( -6.722 -9.533 -1.581) 11.771 10.675 ( 7.725 23.796 -8.502) 26.423 11.725 ( 13.121 3.693 -0.621) 13.645 12.417 ( -3.733 -13.171 4.529) 14.419 13.104 ( -7.099 5.164 -1.968) 8.996 14.556 ( 2.056 6.631 -0.602) 6.968 15.541 ( 11.147 -7.008 0.071) 13.168 16.862 ( -24.407 -10.808 0.027) 26.693 18.280 ( -2.420 -3.134 0.415) 3.981 20.134 ( 6.549 4.378 0.015) 7.877 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 0.504 3.614 0.887) 3.755 3.290 ( -4.687 -7.276 0.282) 8.660 4.457 ( 2.809 4.436 0.294) 5.259 4.726 ( 6.298 8.993 -2.860) 11.346 5.069 ( 1.760 -5.727 1.182) 6.107 5.263 ( -1.188 4.005 -0.686) 4.234 5.743 ( -0.756 4.472 -0.143) 4.538 5.851 ( -1.980 -5.108 1.580) 5.702 6.318 ( -0.384 -2.230 0.464) 2.310 7.104 ( -1.372 -0.625 -0.482) 1.583 7.451 ( 8.122 16.506 -1.451) 18.453 7.806 ( -0.335 -9.482 -1.361) 9.585 8.533 ( 5.774 -0.793 0.711) 5.871 9.064 ( -7.604 -0.384 3.575) 8.411 9.186 ( -6.177 -5.545 0.125) 8.301 11.113 ( 11.598 27.359 -1.894) 29.777 11.688 ( -5.345 -18.312 -0.802) 19.093 12.501 ( 9.998 10.265 1.062) 14.368 12.899 ( -9.592 -11.251 -0.475) 14.792 14.635 ( 1.187 2.112 -0.062) 2.424 15.787 ( 9.079 16.609 0.141) 18.929 16.355 ( -12.457 -22.675 -0.187) 25.872 18.229 ( -0.928 -1.273 0.148) 1.582 20.240 ( 1.545 2.680 0.004) 3.093 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -5.342 -0.535 0.688) 5.413 3.289 ( 7.261 -0.452 -0.160) 7.276 4.443 ( -6.273 0.172 0.228) 6.279 4.890 ( 1.708 -1.580 -5.009) 5.523 4.973 ( -4.465 4.119 3.972) 7.258 5.285 ( 0.843 -1.194 -0.265) 1.486 5.715 ( -5.616 -1.429 1.121) 5.903 5.840 ( 4.540 -0.136 -0.789) 4.610 6.279 ( -2.784 0.815 0.863) 3.027 7.150 ( 7.488 -1.027 -1.076) 7.634 7.518 ( -15.760 -1.656 -1.235) 15.895 7.794 ( 10.475 4.620 1.391) 11.533 8.620 ( 0.433 5.156 -5.239) 7.363 8.828 ( -13.746 -6.262 6.892) 16.603 9.196 ( 9.059 -1.497 -0.275) 9.186 11.188 ( -20.923 -2.285 -1.074) 21.075 11.715 ( 20.344 2.748 -0.316) 20.531 12.463 ( -18.368 1.680 0.493) 18.451 12.916 ( 16.276 -1.287 -0.222) 16.328 14.637 ( -1.977 -0.017 -0.046) 1.977 15.782 ( -18.811 -0.241 0.075) 18.813 16.361 ( 25.763 0.304 -0.090) 25.765 18.224 ( 1.026 -0.093 0.078) 1.033 20.240 ( -3.109 -0.001 0.002) 3.109 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( -4.116 1.926 0.610) 4.585 3.451 ( 11.649 -0.364 -0.420) 11.662 4.266 ( -10.526 -5.672 0.824) 11.985 4.674 ( -12.561 -7.589 -5.405) 15.639 5.043 ( -1.538 4.304 8.280) 9.458 5.270 ( -5.403 5.539 -5.749) 9.640 5.592 ( -4.089 -3.089 -0.330) 5.136 5.930 ( 5.435 -0.038 0.139) 5.437 6.269 ( -1.340 3.935 3.944) 5.730 7.152 ( -18.419 -6.539 -1.822) 19.630 7.305 ( 11.281 -2.151 -6.784) 13.339 8.028 ( 4.417 11.500 7.152) 14.244 8.493 ( -14.637 -1.590 -1.305) 14.781 8.679 ( -0.575 -1.198 6.141) 6.283 9.388 ( 14.128 -3.242 -1.676) 14.591 10.755 ( -19.303 -8.304 -6.418) 21.972 11.767 ( -12.653 -9.776 -0.037) 15.990 12.477 ( 13.183 12.069 5.165) 18.605 13.097 ( 0.928 3.895 -2.282) 4.609 14.571 ( -5.480 1.219 -0.484) 5.635 15.530 ( 0.226 -13.516 -0.044) 13.518 16.873 ( 21.373 16.192 0.168) 26.815 18.263 ( 3.271 0.306 0.205) 3.291 20.134 ( -7.084 -3.473 0.011) 7.889 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( -2.763 4.320 0.687) 5.173 3.668 ( 13.696 -1.358 -0.342) 13.768 3.987 ( -13.440 -7.875 1.272) 15.629 4.341 ( -13.276 -9.779 -4.802) 17.174 4.970 ( -17.806 6.228 8.000) 20.490 5.172 ( -6.171 4.711 -8.644) 11.619 5.561 ( 0.312 1.390 0.499) 1.510 6.019 ( 4.262 0.291 1.283) 4.460 6.328 ( 1.016 5.977 5.326) 8.070 6.765 ( -17.846 -6.085 -1.854) 18.946 7.414 ( 4.448 -2.809 -10.343) 11.604 8.147 ( -8.558 13.610 0.013) 16.077 8.255 ( -4.612 -11.201 7.341) 14.164 8.735 ( 4.478 5.640 12.016) 14.009 9.556 ( 10.679 -8.008 -1.947) 13.489 10.362 ( -16.966 -2.566 -11.284) 20.537 11.403 ( -11.809 -12.953 0.712) 17.542 12.820 ( 1.692 6.565 4.958) 8.399 13.039 ( -4.061 7.997 -2.072) 9.205 14.520 ( -1.358 2.432 -1.812) 3.322 15.512 ( 13.016 -15.373 -0.059) 20.143 17.402 ( 17.370 21.777 0.266) 27.857 18.343 ( 5.653 -0.123 0.599) 5.686 19.928 ( -10.261 -7.393 0.032) 12.647 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( -1.618 5.473 0.701) 5.750 3.651 ( -14.950 -6.465 1.185) 16.331 3.872 ( 6.143 -2.710 -0.411) 6.727 4.056 ( -4.443 -6.474 -2.796) 8.335 4.631 ( -25.763 4.629 -0.610) 26.183 5.125 ( -7.138 7.916 -1.030) 10.708 5.577 ( -2.585 4.276 0.518) 5.024 6.085 ( 2.285 0.921 1.293) 2.782 6.372 ( -15.579 2.935 2.984) 16.132 6.478 ( 0.553 1.692 0.749) 1.931 7.345 ( -2.831 -7.195 -7.795) 10.980 8.045 ( -15.259 12.146 -2.229) 19.630 8.111 ( -0.736 -12.389 3.206) 12.818 8.997 ( 10.327 8.423 20.131) 24.142 9.556 ( -1.019 -6.519 -5.982) 8.907 10.070 ( -12.807 0.251 -9.748) 16.097 11.174 ( -0.143 -10.961 0.637) 10.980 12.563 ( -22.796 1.657 -3.471) 23.118 13.264 ( 8.423 8.895 5.052) 13.251 14.554 ( 2.563 2.260 -3.974) 5.241 15.629 ( 17.148 -14.944 -0.163) 22.746 17.906 ( 13.736 24.418 0.248) 28.018 18.456 ( 7.973 -1.385 1.334) 8.201 19.633 ( -12.765 -11.321 0.068) 17.062 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 0.000 8.804 0.337) 8.811 3.467 ( -0.000 9.570 1.898) 9.756 3.684 ( 0.000 5.461 -1.986) 5.811 4.013 ( 0.000 14.519 -2.471) 14.727 4.263 ( -0.000 -5.268 -0.278) 5.275 5.484 ( 0.000 15.749 0.624) 15.761 5.757 ( 0.000 4.004 -0.913) 4.107 6.103 ( -0.000 1.550 3.241) 3.592 6.310 ( -0.000 4.003 0.515) 4.036 6.538 ( 0.000 25.832 -1.097) 25.855 7.024 ( -0.000 -14.825 0.313) 14.828 7.710 ( 0.000 4.120 -2.057) 4.605 7.985 ( -0.000 -9.012 0.399) 9.021 9.121 ( -0.000 5.964 4.849) 7.686 9.499 ( 0.000 7.385 -0.326) 7.392 10.365 ( 0.000 20.753 1.002) 20.778 10.995 ( -0.000 -14.714 0.235) 14.716 12.512 ( 0.000 21.604 -7.864) 22.991 13.088 ( -0.000 -10.958 5.614) 12.313 14.606 ( 0.000 1.538 -4.823) 5.062 15.571 ( -0.000 -20.647 -0.255) 20.648 18.555 ( -0.000 -9.057 1.992) 9.273 18.752 ( 0.000 5.670 0.025) 5.670 19.008 ( -0.000 0.670 0.349) 0.756 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -2.541 9.185 0.807) 9.564 3.598 ( 5.102 7.159 1.066) 8.855 3.812 ( 8.313 3.773 -1.548) 9.259 4.009 ( -0.512 -11.282 0.637) 11.312 4.359 ( 3.748 16.964 -2.573) 17.563 5.587 ( -3.181 10.789 -2.157) 11.453 5.782 ( 0.405 0.924 -2.078) 2.310 6.053 ( -7.368 3.183 4.902) 9.405 6.426 ( 7.518 4.320 -0.210) 8.674 6.674 ( -7.803 2.669 6.237) 10.340 7.020 ( 9.788 8.598 -7.375) 14.971 7.708 ( -1.830 1.474 -1.698) 2.899 8.019 ( 12.990 -11.950 1.836) 17.746 9.079 ( -8.760 4.132 7.627) 12.328 9.627 ( 4.388 2.863 1.547) 5.463 10.530 ( -2.138 17.904 -5.717) 18.916 10.929 ( 7.168 -8.734 -0.327) 11.303 12.746 ( 5.526 17.287 -9.405) 20.441 12.972 ( -3.616 -8.048 10.010) 13.344 14.596 ( -2.581 2.994 -3.215) 5.095 15.387 ( 1.509 -19.114 -0.312) 19.176 18.408 ( -27.620 1.498 -0.020) 27.661 18.466 ( -2.544 -6.647 1.486) 7.271 19.342 ( 21.609 2.473 0.128) 21.750 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( -3.832 8.020 0.626) 8.910 3.756 ( -4.421 -9.416 0.363) 10.408 3.799 ( 8.441 2.980 0.307) 8.957 4.130 ( 16.330 3.388 -2.099) 16.809 4.601 ( 5.932 12.158 0.141) 13.529 5.595 ( -5.839 7.631 -2.246) 9.868 5.770 ( -0.013 -1.475 -6.093) 6.269 5.984 ( -5.580 3.185 7.173) 9.630 6.489 ( -7.488 -4.189 5.013) 9.938 6.665 ( 12.180 3.549 -0.522) 12.697 7.300 ( 5.261 15.344 -9.235) 18.666 7.690 ( -1.116 1.848 1.855) 2.846 8.119 ( 12.653 -16.326 4.880) 21.224 9.045 ( 0.584 3.969 4.944) 6.367 9.631 ( -4.348 -3.464 2.966) 6.301 10.649 ( -1.988 16.511 -10.639) 19.742 11.077 ( 16.372 -2.373 -0.029) 16.543 12.732 ( -8.421 -8.735 3.832) 12.724 13.088 ( 7.313 14.555 -0.355) 16.293 14.577 ( -2.910 5.216 -1.769) 6.230 15.241 ( 3.532 -17.722 -0.143) 18.072 17.894 ( -31.198 -0.457 0.172) 31.202 18.375 ( -2.499 -4.288 0.640) 5.004 19.711 ( 17.683 2.464 0.052) 17.854 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( -3.981 5.177 -0.105) 6.531 3.534 ( -7.730 -7.926 -0.300) 11.075 4.046 ( 14.003 2.280 0.383) 14.192 4.469 ( 17.329 5.045 -2.789) 18.263 4.771 ( 3.887 2.919 3.265) 5.856 5.527 ( -8.150 4.444 -1.430) 9.393 5.764 ( 0.949 1.922 -5.979) 6.351 5.930 ( -3.885 -1.372 4.984) 6.467 6.347 ( -4.087 -3.969 3.453) 6.662 6.959 ( 16.116 4.999 -1.799) 16.969 7.351 ( -8.100 5.037 -5.195) 10.861 7.762 ( 2.165 5.589 3.216) 6.802 8.182 ( 12.397 -12.659 5.083) 18.433 9.171 ( 6.237 2.131 0.805) 6.640 9.458 ( -9.541 -4.816 0.690) 10.710 10.760 ( 1.597 13.363 -8.705) 16.028 11.419 ( 22.068 0.268 0.287) 22.071 12.469 ( -12.101 -7.915 5.862) 15.603 13.267 ( -1.775 7.068 -1.503) 7.441 14.609 ( -0.434 6.370 -0.583) 6.412 15.205 ( 11.606 -11.394 -0.063) 16.265 17.328 ( -32.482 -1.735 0.179) 32.528 18.299 ( -2.596 -1.987 0.136) 3.272 19.997 ( 12.641 1.693 0.015) 12.754 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -1.949 -0.738 -1.004) 2.313 3.357 ( -7.304 -0.057 -0.262) 7.309 4.306 ( 13.661 -0.060 0.312) 13.665 4.766 ( 2.786 8.436 -1.643) 9.035 4.836 ( 12.526 -7.528 3.642) 15.061 5.408 ( -8.345 0.847 -0.575) 8.408 5.797 ( -0.515 4.575 -3.921) 6.047 5.843 ( -2.641 -5.174 2.686) 6.400 6.293 ( 0.285 -1.573 0.168) 1.607 7.210 ( -9.278 2.077 0.129) 9.509 7.290 ( 17.251 1.747 -0.441) 17.345 7.796 ( -1.312 -0.731 1.753) 2.308 8.347 ( 12.598 -1.823 2.536) 12.979 9.167 ( -6.626 -3.244 -3.363) 8.108 9.294 ( -6.038 0.891 -1.027) 6.189 10.979 ( 14.447 3.723 -1.954) 15.047 11.704 ( 3.980 -0.034 1.455) 4.237 12.300 ( 3.842 -2.055 2.269) 4.912 13.144 ( -14.838 0.734 -0.733) 14.874 14.640 ( 0.022 0.163 0.003) 0.165 15.464 ( 23.062 -0.013 -0.125) 23.062 16.748 ( -32.480 -0.005 0.176) 32.481 18.248 ( -2.003 -0.146 -0.128) 2.013 20.178 ( 7.118 -0.005 -0.001) 7.118 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 0.692 -4.553 -1.437) 4.824 3.286 ( -4.762 6.500 -0.114) 8.058 4.451 ( 3.187 -4.771 -0.490) 5.759 4.780 ( 4.382 -5.980 5.120) 9.010 5.043 ( 4.342 5.005 -2.638) 7.132 5.274 ( -2.676 -2.797 0.772) 3.947 5.742 ( -1.602 -6.381 -0.542) 6.602 5.830 ( -1.503 5.035 -0.925) 5.335 6.306 ( 1.189 0.998 -1.277) 2.010 7.116 ( -3.358 2.113 1.499) 4.241 7.477 ( 6.544 -15.911 2.284) 17.355 7.818 ( 1.951 13.113 0.105) 13.258 8.535 ( 8.617 -0.435 1.592) 8.774 8.991 ( -7.262 -5.689 -7.243) 11.729 9.188 ( -7.820 5.621 0.339) 9.636 11.145 ( 8.092 -24.958 2.745) 26.381 11.700 ( -3.846 20.061 0.999) 20.451 12.484 ( 11.997 -11.358 -1.407) 16.581 12.906 ( -10.757 11.466 0.628) 15.735 14.636 ( 1.084 -1.961 0.099) 2.243 15.785 ( 8.890 -16.652 -0.198) 18.877 16.358 ( -12.230 22.754 0.253) 25.834 18.227 ( -0.872 1.034 -0.207) 1.369 20.240 ( 1.548 -2.686 -0.005) 3.100 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( -0.710 0.392 -0.623) 1.022 3.320 ( 2.602 4.196 -0.691) 4.986 4.330 ( -6.133 -10.086 0.299) 11.808 4.727 ( -4.760 -13.218 -0.174) 14.050 5.072 ( 0.912 5.057 3.452) 6.191 5.352 ( 4.766 5.701 -1.336) 7.550 5.626 ( -4.120 -7.005 -1.757) 8.315 5.864 ( 1.254 3.150 -0.529) 3.431 6.342 ( 0.080 4.189 1.015) 4.312 7.135 ( 2.167 -1.770 -1.627) 3.237 7.290 ( -5.581 -11.564 0.234) 12.842 8.065 ( 6.333 13.631 5.290) 15.934 8.613 ( 2.315 -9.703 9.024) 13.452 8.755 ( -11.467 2.356 -12.218) 16.921 9.202 ( 3.297 3.487 -1.414) 5.003 10.856 ( -8.598 -21.014 -1.172) 22.735 11.792 ( -4.856 -8.883 0.821) 10.157 12.495 ( 4.300 11.774 2.585) 12.799 13.068 ( 7.017 9.913 -1.213) 12.206 14.640 ( 0.125 -0.148 -0.004) 0.194 15.453 ( -11.611 -20.067 -0.128) 23.184 16.763 ( 16.316 28.274 0.194) 32.645 18.237 ( 0.656 1.428 -0.135) 1.577 20.178 ( -3.560 -6.155 -0.001) 7.111 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( -2.531 5.052 0.031) 5.650 3.452 ( 9.325 0.984 -0.660) 9.400 4.087 ( -9.085 -11.108 0.562) 14.361 4.428 ( -10.887 -14.120 -1.695) 17.910 5.172 ( 0.563 5.261 8.025) 9.613 5.359 ( -10.165 0.196 -9.101) 13.645 5.550 ( 2.383 3.070 -0.490) 3.917 5.938 ( 4.625 0.817 1.083) 4.820 6.404 ( 0.091 6.917 4.067) 8.024 6.919 ( -10.564 -13.077 -1.728) 16.899 7.309 ( 4.668 3.638 -5.323) 7.960 8.208 ( -2.574 -5.411 8.762) 10.615 8.457 ( -7.633 5.988 -1.328) 9.792 8.723 ( 2.253 2.034 3.450) 4.595 9.318 ( 8.298 -1.168 -1.711) 8.553 10.515 ( -10.480 -10.882 -6.936) 16.624 11.444 ( -12.095 -19.906 0.241) 23.293 12.842 ( 9.832 18.972 6.984) 22.480 13.170 ( -2.699 2.113 -4.037) 5.296 14.615 ( -4.604 3.122 -0.640) 5.600 15.186 ( 3.694 -16.299 -0.058) 16.712 17.344 ( 17.560 27.320 0.199) 32.477 18.277 ( 2.471 1.008 0.128) 2.672 19.997 ( -7.791 -10.060 0.016) 12.724 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -2.706 6.946 0.423) 7.467 3.637 ( 11.147 -1.529 -0.027) 11.251 3.818 ( -9.661 -8.388 0.675) 12.812 4.112 ( -9.610 -10.907 -1.696) 14.635 5.039 ( -17.766 -1.652 1.371) 17.895 5.274 ( -1.833 7.551 -4.459) 8.959 5.636 ( 0.677 6.035 -0.227) 6.077 6.031 ( 4.773 0.087 2.244) 5.274 6.504 ( 1.335 7.991 4.737) 9.385 6.615 ( -11.585 -6.795 -0.358) 13.435 7.334 ( -3.312 -1.471 -8.912) 9.621 8.013 ( -3.053 -15.249 6.296) 16.778 8.403 ( -12.423 13.058 -8.964) 20.129 8.909 ( 12.050 3.643 20.611) 24.152 9.439 ( 6.715 -0.923 -1.426) 6.927 10.236 ( -10.930 -4.800 -11.971) 16.906 11.089 ( -5.952 -16.831 0.137) 17.853 12.916 ( -16.232 -0.011 1.740) 16.325 13.247 ( 7.723 12.285 0.949) 14.542 14.579 ( -2.612 4.123 -2.065) 5.300 15.213 ( 13.788 -12.620 -0.138) 18.692 17.906 ( 15.698 26.733 0.189) 31.001 18.342 ( 4.438 -0.180 0.649) 4.488 19.712 ( -10.990 -13.986 0.053) 17.787 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( 0.000 9.980 0.266) 9.984 3.615 ( 0.000 4.768 0.298) 4.777 3.762 ( 0.000 2.791 -0.411) 2.821 3.898 ( -0.000 -12.233 -0.104) 12.233 4.471 ( 0.000 12.971 -0.722) 12.991 5.690 ( 0.000 5.655 -3.984) 6.917 5.791 ( 0.000 1.268 -0.873) 1.539 6.160 ( -0.000 1.226 4.159) 4.336 6.382 ( 0.000 2.929 -0.362) 2.951 6.791 ( -0.000 -7.640 0.013) 7.640 7.010 ( 0.000 21.016 0.198) 21.017 7.749 ( -0.000 1.073 0.673) 1.266 7.768 ( -0.000 -12.485 -0.067) 12.485 9.224 ( -0.000 0.827 7.800) 7.844 9.616 ( 0.000 4.180 -0.100) 4.181 10.696 ( 0.000 13.488 -8.355) 15.866 10.761 ( -0.000 -8.318 0.147) 8.319 12.808 ( 0.000 8.151 -10.404) 13.217 12.976 ( -0.000 -1.230 13.240) 13.297 14.645 ( 0.000 3.425 -1.982) 3.957 15.210 ( -0.000 -14.267 -0.645) 14.282 18.422 ( -0.000 -4.707 0.717) 4.761 18.840 ( 0.000 2.960 0.008) 2.960 19.007 ( -0.000 -0.591 0.275) 0.652 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( -3.747 7.565 -0.466) 8.455 3.693 ( 4.688 1.916 0.111) 5.065 3.748 ( -3.013 -8.055 -0.574) 8.620 3.897 ( 11.441 0.814 -0.462) 11.480 4.612 ( 4.142 7.135 1.401) 8.368 5.712 ( -0.985 3.798 -3.668) 5.371 5.775 ( -2.837 0.066 -1.405) 3.167 6.114 ( -5.393 0.315 2.265) 5.858 6.491 ( 8.876 1.883 -0.347) 9.081 6.623 ( -9.888 -3.475 2.156) 10.701 7.310 ( 9.164 15.561 -3.121) 18.327 7.707 ( 3.924 -4.694 3.578) 7.088 7.789 ( 5.779 -7.297 2.090) 9.540 9.144 ( -7.429 -0.415 3.420) 8.189 9.659 ( -0.324 -0.051 0.738) 0.807 10.756 ( 3.897 5.816 -4.934) 8.565 10.822 ( 6.534 0.072 -5.131) 8.308 12.795 ( -4.174 -2.812 1.881) 5.372 13.070 ( 5.945 6.256 3.511) 9.317 14.662 ( -1.435 3.578 -0.893) 3.957 15.083 ( -0.878 -9.430 -0.593) 9.490 18.375 ( -1.688 -2.339 0.016) 2.885 18.429 ( -29.506 0.210 0.269) 29.507 19.374 ( 22.769 0.716 0.077) 22.781 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( -5.022 -0.323 -1.502) 5.252 3.608 ( -6.143 -0.240 -1.137) 6.251 3.842 ( 10.383 -0.095 0.387) 10.391 4.167 ( 17.863 0.564 -0.523) 17.879 4.737 ( 4.500 0.358 3.691) 5.831 5.681 ( -6.720 0.503 -0.245) 6.743 5.746 ( 1.473 2.494 -3.756) 4.743 6.009 ( -5.896 -2.644 0.242) 6.466 6.432 ( -8.584 -1.872 1.281) 8.879 6.708 ( 14.425 0.522 -0.574) 14.446 7.496 ( -1.324 4.955 -1.269) 5.284 7.787 ( 1.175 -1.961 5.005) 5.503 7.857 ( 13.770 -1.813 2.524) 14.117 9.077 ( 1.959 -1.704 -0.721) 2.695 9.580 ( -7.034 -1.375 -1.434) 7.309 10.828 ( -0.614 3.649 -7.784) 8.619 11.042 ( 19.557 -0.211 0.152) 19.559 12.646 ( -10.744 -1.463 6.248) 12.515 13.248 ( 7.609 0.473 -0.068) 7.624 14.665 ( -1.174 0.567 -0.035) 1.304 15.022 ( 1.806 -0.015 -0.393) 1.849 17.888 ( -32.194 -0.048 0.150) 32.195 18.330 ( -2.227 -0.238 -0.295) 2.259 19.736 ( 18.225 -0.017 0.017) 18.225 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( -4.124 -5.984 -2.245) 7.606 3.527 ( -7.538 7.510 -1.287) 10.718 4.048 ( 14.063 -2.269 0.710) 14.262 4.491 ( 19.148 -2.181 0.193) 19.273 4.778 ( 1.847 -4.006 4.508) 6.307 5.540 ( -8.071 -3.073 0.478) 8.650 5.812 ( 2.590 4.225 -3.153) 5.874 5.862 ( -5.371 -5.762 -0.740) 7.912 6.313 ( -4.132 0.305 -1.529) 4.417 6.974 ( 16.805 -3.700 0.336) 17.211 7.418 ( -9.459 1.707 4.172) 10.478 7.768 ( 2.108 -6.104 4.059) 7.627 8.141 ( 12.607 7.353 -0.330) 14.598 9.123 ( 4.603 -6.186 -6.347) 9.987 9.439 ( -7.800 4.334 -2.099) 9.167 10.814 ( 2.482 -6.567 -0.878) 7.076 11.420 ( 22.356 -0.297 0.382) 22.361 12.456 ( -12.935 4.760 3.997) 14.351 13.276 ( -1.713 -5.817 -0.091) 6.065 14.617 ( -0.689 -5.580 0.542) 5.649 15.203 ( 11.655 11.339 -0.327) 16.264 17.328 ( -32.457 1.657 0.178) 32.500 18.294 ( -2.521 1.599 -0.547) 3.035 19.997 ( 12.645 -1.711 -0.009) 12.760 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -1.078 -5.285 -2.544) 5.964 3.480 ( -7.676 9.776 -0.946) 12.465 4.254 ( 12.228 -5.451 -0.026) 13.388 4.641 ( 4.023 -12.428 7.901) 15.266 4.892 ( 14.471 2.137 -2.260) 14.801 5.342 ( -8.832 -6.667 1.113) 11.122 5.719 ( -3.381 -5.787 -3.418) 7.524 5.892 ( 0.914 4.814 0.139) 4.901 6.285 ( 0.398 1.479 -4.180) 4.451 7.151 ( 11.506 -13.493 1.940) 17.838 7.288 ( -8.653 3.037 7.209) 11.665 7.813 ( 6.910 0.850 3.272) 7.693 8.400 ( 8.807 6.553 -3.709) 11.587 9.003 ( -4.676 -9.182 -12.308) 16.051 9.414 ( -6.463 10.268 0.794) 12.158 10.777 ( 6.978 -19.940 6.065) 21.979 11.739 ( 14.159 -4.063 1.282) 14.786 12.377 ( -4.797 12.459 -1.238) 13.408 13.124 ( -7.019 -4.172 0.939) 8.219 14.565 ( 1.678 -5.993 0.689) 6.261 15.538 ( 11.170 6.876 -0.290) 13.120 16.864 ( -24.310 10.797 0.197) 26.600 18.273 ( -2.290 2.800 -0.614) 3.669 20.134 ( 6.554 -4.388 -0.017) 7.888 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 2.950 -2.626 -2.088) 4.467 3.452 ( -6.691 10.034 -0.622) 12.077 4.278 ( -0.009 -11.745 -0.781) 11.771 4.593 ( 3.320 -14.000 6.323) 15.716 5.134 ( 1.154 3.321 -4.257) 5.521 5.193 ( 9.815 -6.496 4.596) 12.636 5.606 ( -2.918 -5.078 -2.116) 6.227 5.934 ( -1.796 5.302 -0.611) 5.631 6.331 ( 3.515 2.522 -4.853) 6.501 7.124 ( 2.127 -18.704 2.207) 18.954 7.210 ( -3.605 4.751 6.793) 9.040 8.040 ( 12.266 6.357 5.566) 14.895 8.506 ( -0.155 -2.770 -5.131) 5.833 8.826 ( -2.238 -3.630 -13.141) 13.815 9.370 ( -10.335 10.591 0.847) 14.822 10.659 ( 3.397 -24.108 7.533) 25.485 11.761 ( -1.767 -14.973 0.886) 15.103 12.536 ( 5.094 18.544 -3.236) 19.501 13.066 ( 2.386 1.470 2.049) 3.471 14.562 ( 4.075 -4.762 0.732) 6.310 15.531 ( -11.971 -6.526 -0.210) 13.636 16.873 ( 3.461 26.720 0.094) 26.943 18.268 ( -1.609 3.199 -0.561) 3.625 20.134 ( 0.529 -7.861 -0.017) 7.879 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 5.228 0.400 -1.019) 5.342 3.451 ( -3.894 8.655 -0.436) 9.501 4.089 ( -5.268 -13.322 -0.163) 14.327 4.418 ( -5.709 -16.631 1.337) 17.634 5.188 ( 4.123 4.217 4.476) 7.404 5.333 ( 5.828 -10.449 -2.724) 12.270 5.548 ( 1.358 3.433 0.093) 3.693 5.946 ( -1.944 4.886 -1.398) 5.441 6.428 ( 4.393 4.512 -3.084) 7.012 6.910 ( -5.484 -15.555 1.184) 16.536 7.278 ( 3.141 3.858 4.171) 6.492 8.254 ( -5.880 -2.274 -4.474) 7.730 8.402 ( 10.956 -7.342 12.585) 18.230 8.792 ( -2.891 6.754 -14.820) 16.542 9.314 ( -4.937 6.871 -0.422) 8.471 10.477 ( -1.668 -16.557 4.592) 17.262 11.445 ( -11.174 -20.354 0.040) 23.220 12.873 ( 10.311 20.022 -1.950) 22.606 13.149 ( 3.931 -3.049 1.912) 5.330 14.610 ( 5.297 -2.780 0.662) 6.018 15.187 ( -15.990 -4.929 -0.169) 16.733 17.345 ( 14.854 28.895 0.006) 32.489 18.279 ( -0.523 2.763 -0.378) 2.837 19.997 ( -4.822 -11.770 -0.013) 12.719 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 2.586 4.479 -0.000) 5.172 3.500 ( 2.436 4.220 0.000) 4.873 3.863 ( -6.217 -10.769 -0.000) 12.435 4.140 ( -7.724 -13.378 0.000) 15.448 5.189 ( -5.995 -10.384 -0.000) 11.990 5.318 ( 3.135 5.430 0.000) 6.270 5.677 ( 3.805 6.591 -0.000) 7.610 5.974 ( 1.414 2.449 -0.000) 2.828 6.555 ( 3.950 6.841 -0.000) 7.899 6.664 ( -6.586 -11.407 0.000) 13.171 7.360 ( 0.971 1.682 0.000) 1.942 7.961 ( -9.162 -15.869 -0.000) 18.324 8.642 ( 4.493 7.781 -0.000) 8.985 8.775 ( 1.713 2.966 0.000) 3.425 9.365 ( 3.495 6.054 0.000) 6.991 10.294 ( -5.464 -9.464 -0.000) 10.928 11.054 ( -10.133 -17.550 -0.000) 20.265 13.084 ( -4.824 -8.355 0.000) 9.647 13.228 ( 8.968 15.533 -0.000) 17.936 14.663 ( 0.578 1.001 0.000) 1.156 14.983 ( -1.656 -2.869 -0.000) 3.313 17.903 ( 15.992 27.700 -0.000) 31.985 18.303 ( 0.912 1.580 -0.000) 1.824 19.737 ( -9.061 -15.695 -0.000) 18.123 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( 0.000 -0.213 -1.208) 1.227 3.660 ( 0.000 -0.178 -0.667) 0.690 3.723 ( 0.000 -0.092 -1.249) 1.252 3.792 ( -0.000 0.215 0.537) 0.578 4.617 ( -0.000 0.526 3.041) 3.086 5.730 ( 0.000 1.611 -3.037) 3.438 5.810 ( -0.000 0.105 0.143) 0.177 6.161 ( 0.000 -1.854 -1.720) 2.529 6.414 ( -0.000 0.158 0.066) 0.172 6.721 ( -0.000 0.072 1.114) 1.116 7.301 ( -0.000 -0.280 0.298) 0.409 7.562 ( 0.000 0.193 -0.374) 0.421 7.783 ( -0.000 0.698 7.684) 7.715 9.214 ( 0.000 -3.097 -0.688) 3.172 9.659 ( -0.000 0.043 0.086) 0.096 10.675 ( 0.000 -0.057 -0.041) 0.070 10.818 ( 0.000 2.419 -10.027) 10.314 12.822 ( 0.000 0.607 -0.016) 0.608 13.053 ( -0.000 -1.178 7.099) 7.196 14.691 ( 0.000 0.451 -0.029) 0.452 15.051 ( 0.000 0.312 -0.667) 0.737 18.373 ( 0.000 -0.276 -0.410) 0.494 18.869 ( 0.000 -0.004 -0.012) 0.013 18.999 ( -0.000 -0.081 0.170) 0.188 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( -3.876 -7.843 -1.770) 8.926 3.687 ( 4.563 -2.180 -0.823) 5.124 3.740 ( -2.815 7.602 -1.725) 8.288 3.904 ( 11.519 -0.206 0.621) 11.538 4.637 ( 4.206 -6.051 5.005) 8.908 5.733 ( -1.168 -0.870 -0.719) 1.624 5.777 ( -2.073 0.059 -1.398) 2.502 6.075 ( -5.500 -3.326 -3.134) 7.151 6.489 ( 8.310 -1.730 -0.482) 8.501 6.611 ( -10.616 1.247 0.311) 10.693 7.349 ( 12.344 -13.183 2.345) 18.212 7.691 ( 4.202 8.610 -0.066) 9.581 7.824 ( 2.731 3.667 8.820) 9.934 9.095 ( -6.518 -3.954 -4.163) 8.686 9.644 ( -1.584 -0.941 -1.522) 2.390 10.758 ( 5.386 -3.279 -3.598) 7.260 10.831 ( 6.074 2.114 -4.517) 7.859 12.803 ( -4.629 2.583 2.745) 5.970 13.079 ( 6.034 -7.319 4.840) 10.650 14.672 ( -1.371 -2.384 0.632) 2.822 15.084 ( -1.031 9.723 -0.429) 9.787 18.368 ( -1.360 1.917 -0.903) 2.518 18.428 ( -29.793 -0.420 0.119) 29.797 19.373 ( 22.780 -0.779 0.018) 22.793 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( -4.201 -8.264 -2.290) 9.549 3.736 ( -4.451 9.299 -2.502) 10.609 3.799 ( 9.113 -3.429 0.184) 9.738 4.149 ( 16.909 -2.145 0.575) 17.054 4.647 ( 5.183 -11.552 6.873) 14.407 5.616 ( -6.081 -7.277 0.924) 9.528 5.788 ( 1.659 0.714 -6.939) 7.170 5.919 ( -6.672 -3.136 1.007) 7.441 6.434 ( -8.497 1.854 -3.049) 9.216 6.665 ( 13.131 -4.893 -0.517) 14.023 7.412 ( 7.534 -12.207 6.873) 15.906 7.740 ( -2.523 1.195 9.088) 9.507 8.059 ( 10.082 12.805 -3.120) 16.594 8.969 ( 0.443 -7.069 -6.662) 9.723 9.590 ( -4.380 3.599 -3.229) 6.524 10.698 ( 0.885 -12.881 -2.995) 13.254 11.080 ( 15.987 2.574 0.244) 16.195 12.732 ( -9.344 7.354 3.616) 12.428 13.105 ( 7.306 -14.229 2.222) 16.149 14.599 ( -3.105 -3.964 1.380) 5.221 15.239 ( 3.390 17.789 -0.436) 18.114 17.893 ( -31.184 0.379 0.100) 31.186 18.362 ( -2.355 3.775 -1.112) 4.586 19.711 ( 17.697 -2.495 -0.022) 17.872 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -2.467 -6.203 -2.628) 7.174 3.727 ( -7.894 12.063 -2.135) 14.574 3.956 ( 13.982 -7.463 0.610) 15.860 4.397 ( 13.334 -7.704 3.896) 15.885 4.636 ( 8.980 -12.256 4.514) 15.850 5.404 ( -7.386 -10.638 -0.346) 12.956 5.713 ( -3.237 -5.112 -9.373) 11.157 5.905 ( 1.781 3.719 4.819) 6.342 6.333 ( -4.549 2.551 -5.398) 7.506 6.809 ( 12.057 -12.359 0.018) 17.266 7.416 ( 1.294 -5.087 11.359) 12.513 7.726 ( -0.220 -0.226 8.549) 8.554 8.345 ( 8.318 13.909 -9.168) 18.620 8.888 ( 1.406 -11.986 -11.607) 16.744 9.598 ( -2.170 10.398 0.125) 10.623 10.538 ( 0.204 -20.180 3.664) 20.511 11.378 ( 17.531 -3.985 0.206) 17.979 12.676 ( -9.532 14.743 1.384) 17.610 13.037 ( 3.478 -17.855 1.449) 18.248 14.517 ( -2.083 -3.061 1.812) 4.122 15.526 ( 6.457 18.873 -0.489) 19.953 17.392 ( -27.449 4.425 0.137) 27.804 18.357 ( -3.027 5.046 -1.174) 6.001 19.928 ( 11.554 -5.168 -0.032) 12.658 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 1.039 -3.099 -2.407) 4.059 3.701 ( -8.614 12.177 -1.362) 14.978 4.077 ( 8.956 -12.024 -1.021) 15.027 4.405 ( 3.398 -14.971 10.036) 18.342 4.807 ( 18.827 -9.919 -1.145) 21.311 5.189 ( -4.608 -8.065 -0.361) 9.296 5.608 ( -1.993 -3.155 -5.295) 6.478 5.985 ( 1.247 3.983 1.849) 4.565 6.306 ( 0.135 2.719 -6.597) 7.136 6.829 ( 8.297 -17.896 1.069) 19.755 7.386 ( -5.800 1.079 13.853) 15.057 7.838 ( 11.990 -0.793 7.117) 13.966 8.529 ( -1.111 6.660 -15.774) 17.158 8.749 ( 1.873 -6.397 -11.716) 13.479 9.652 ( -7.317 10.981 1.779) 13.315 10.360 ( 4.621 -23.559 9.476) 25.810 11.539 ( 8.723 -12.642 -0.419) 15.365 12.723 ( -4.317 18.274 -1.408) 18.830 12.941 ( 5.952 -13.789 1.981) 15.149 14.483 ( 0.427 -1.696 2.003) 2.660 15.708 ( -6.006 9.617 -0.417) 11.346 17.147 ( -9.124 16.604 0.067) 18.945 18.353 ( -3.289 5.475 -1.113) 6.484 20.003 ( 4.999 -8.646 -0.032) 9.987 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 4.840 -0.328 -1.515) 5.082 3.669 ( -8.300 11.254 -0.652) 13.999 3.995 ( -0.360 -15.451 -1.195) 15.501 4.307 ( -0.101 -16.068 5.243) 16.902 4.991 ( 16.153 -15.640 2.712) 22.647 5.144 ( 4.254 -0.085 -1.334) 4.459 5.567 ( 0.025 0.970 -1.312) 1.631 6.026 ( -1.170 4.023 -0.845) 4.274 6.368 ( 4.622 4.036 -6.635) 9.038 6.754 ( 3.767 -18.421 1.165) 18.838 7.339 ( -3.850 2.103 12.065) 12.837 8.106 ( 17.097 -2.700 9.893) 19.937 8.332 ( -9.828 -9.024 -13.495) 18.977 8.831 ( 3.084 9.745 -16.016) 18.999 9.546 ( -12.076 4.935 0.824) 13.071 10.284 ( 6.014 -16.914 11.949) 21.564 11.407 ( -5.563 -16.549 -0.401) 17.463 12.851 ( 7.468 0.398 -4.445) 8.700 13.021 ( 7.128 4.723 3.278) 9.157 14.506 ( 3.013 -0.550 2.165) 3.751 15.512 ( -19.884 3.549 -0.167) 20.199 17.403 ( 10.201 25.962 -0.133) 27.894 18.348 ( -3.089 5.004 -0.954) 5.958 19.928 ( -1.272 -12.574 -0.037) 12.638 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( 0.000 -9.826 -1.414) 9.927 3.601 ( 0.000 -5.283 -1.612) 5.524 3.777 ( -0.000 -2.202 1.568) 2.703 3.881 ( 0.000 11.975 -2.557) 12.245 4.518 ( -0.000 -11.958 6.150) 13.447 5.726 ( -0.000 -6.122 1.729) 6.361 5.770 ( 0.000 -0.789 -4.935) 4.997 6.098 ( 0.000 -1.718 -4.272) 4.604 6.385 ( -0.000 -3.207 -0.025) 3.207 6.800 ( -0.000 7.398 1.264) 7.505 7.014 ( -0.000 -20.363 0.784) 20.379 7.762 ( 0.000 12.088 -0.809) 12.115 7.831 ( -0.000 -1.324 13.080) 13.146 9.121 ( 0.000 -3.217 -7.854) 8.488 9.619 ( -0.000 -4.014 0.353) 4.029 10.692 ( 0.000 -11.137 -8.348) 13.919 10.759 ( 0.000 8.236 -0.192) 8.238 12.834 ( 0.000 -2.971 -8.248) 8.767 12.987 ( -0.000 -4.756 16.117) 16.804 14.668 ( -0.000 -1.790 1.358) 2.247 15.213 ( 0.000 14.389 -0.221) 14.391 18.408 ( 0.000 4.129 -1.379) 4.353 18.839 ( -0.000 -2.967 -0.029) 2.967 19.005 ( 0.000 0.442 0.031) 0.443 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -3.003 -8.711 -1.173) 9.288 3.580 ( 5.734 -7.700 -1.441) 9.708 3.831 ( 7.094 -1.984 1.005) 7.435 3.987 ( 0.323 10.294 -2.415) 10.578 4.429 ( 4.192 -16.497 7.782) 18.716 5.593 ( -2.965 -13.569 -1.827) 14.008 5.756 ( -0.347 -1.133 -5.780) 5.900 6.020 ( -5.908 -0.397 0.469) 5.940 6.418 ( 7.966 -5.400 -1.409) 9.726 6.613 ( -11.304 -3.729 -2.818) 12.232 7.110 ( 13.735 -7.176 5.962) 16.604 7.800 ( -1.472 -2.095 11.302) 11.588 7.990 ( 10.139 10.216 -1.793) 14.505 8.985 ( -8.476 -3.146 -6.465) 11.115 9.610 ( 2.757 -2.011 -1.178) 3.610 10.520 ( -0.025 -17.640 -6.510) 18.803 10.933 ( 7.585 8.503 0.170) 11.395 12.774 ( 4.975 -13.193 -6.095) 15.361 12.987 ( -3.800 3.401 12.696) 13.682 14.634 ( -2.707 -1.200 2.327) 3.766 15.387 ( 1.346 19.115 -0.299) 19.164 18.409 ( -28.340 -1.703 0.081) 28.391 18.443 ( -1.714 6.170 -1.799) 6.651 19.341 ( 21.647 -2.529 -0.046) 21.794 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -2.968 -6.371 -1.249) 7.138 3.641 ( 11.510 -10.140 -0.253) 15.342 3.923 ( 0.780 4.414 -1.346) 4.680 4.124 ( 9.403 1.861 -0.898) 9.627 4.353 ( 5.670 -20.062 9.338) 22.844 5.366 ( -4.316 -16.391 -4.307) 17.489 5.684 ( -2.268 -5.485 -8.520) 10.383 5.957 ( -2.327 2.831 6.204) 7.205 6.417 ( -3.707 -6.723 -6.698) 10.188 6.512 ( 7.812 -6.059 -0.421) 9.895 7.256 ( 8.492 -4.786 9.805) 13.826 7.768 ( -0.576 -5.492 10.790) 12.121 8.300 ( 12.159 12.936 -8.752) 19.794 8.793 ( -6.679 -5.340 -5.449) 10.140 9.668 ( 3.212 4.082 -0.977) 5.285 10.314 ( 1.245 -24.037 -2.015) 24.153 11.146 ( 8.622 4.738 0.488) 9.850 12.706 ( 7.363 -20.620 -2.378) 22.024 12.981 ( -6.964 10.588 6.723) 14.346 14.571 ( -4.206 0.351 3.020) 5.190 15.645 ( 4.158 22.071 -0.481) 22.464 17.898 ( -28.139 -0.086 0.049) 28.139 18.470 ( -2.936 7.587 -1.857) 8.345 19.633 ( 16.226 -5.330 -0.055) 17.079 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( -0.674 -3.152 -1.394) 3.512 3.747 ( 13.064 -13.521 -0.081) 18.802 3.942 ( -4.509 7.502 -1.820) 8.940 4.231 ( 1.645 -11.999 10.765) 16.204 4.354 ( 18.107 -13.846 -1.437) 22.840 5.133 ( -2.339 -14.390 -4.187) 15.168 5.572 ( -0.886 -5.800 -6.891) 9.050 6.007 ( 1.298 4.332 4.727) 6.542 6.301 ( 0.486 -7.111 -7.095) 10.057 6.550 ( 5.064 -9.324 1.170) 10.674 7.379 ( 6.910 -2.901 12.183) 14.303 7.729 ( 1.635 -5.507 6.307) 8.531 8.594 ( 9.598 3.802 -10.188) 14.504 8.610 ( -6.587 1.700 -10.291) 12.336 9.795 ( 3.159 7.579 1.888) 8.425 10.075 ( 1.351 -27.060 3.805) 27.359 11.308 ( 7.182 -1.380 -0.564) 7.335 12.608 ( 8.087 -24.305 1.840) 25.681 13.007 ( -6.205 16.483 0.808) 17.631 14.523 ( -3.394 2.210 3.356) 5.260 15.910 ( -0.463 18.924 -0.528) 18.938 17.502 ( -18.000 6.469 0.058) 19.127 18.484 ( -4.168 8.105 -1.809) 9.292 19.788 ( 9.649 -8.831 -0.042) 13.080 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 2.696 -0.074 -1.233) 2.965 3.766 ( 6.155 -16.976 -1.600) 18.128 3.919 ( -5.503 5.884 -0.688) 8.085 4.153 ( 1.315 -11.615 8.723) 14.585 4.518 ( 17.795 -17.286 -0.629) 24.817 5.030 ( 4.674 -7.185 -2.281) 8.870 5.529 ( 2.614 -3.183 -3.725) 5.553 6.065 ( -0.122 2.899 1.593) 3.310 6.288 ( 7.308 -5.433 -6.711) 11.312 6.518 ( 2.156 -9.541 2.415) 10.076 7.427 ( -1.813 -2.724 11.604) 12.056 7.815 ( 13.497 -5.261 3.078) 14.809 8.373 ( -8.772 -9.212 -5.974) 14.054 8.831 ( 5.896 13.771 -17.542) 23.068 9.746 ( -8.601 -8.758 5.284) 13.364 10.006 ( 10.392 -10.393 6.592) 16.108 11.331 ( -0.618 -6.007 -1.422) 6.204 12.544 ( 11.132 -21.884 3.862) 24.855 13.106 ( -1.196 16.335 -2.680) 16.597 14.517 ( -1.416 3.354 3.682) 5.178 15.902 ( -16.664 9.608 -0.240) 19.237 17.506 ( 3.789 18.904 -0.124) 19.280 18.479 ( -4.985 7.601 -1.642) 9.237 19.788 ( 2.838 -12.782 -0.039) 13.094 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( -0.000 -7.754 0.169) 7.756 3.434 ( 0.000 -10.440 -2.687) 10.780 3.719 ( -0.000 -4.465 2.919) 5.335 4.049 ( -0.000 -4.375 1.833) 4.743 4.277 ( -0.000 -4.969 2.747) 5.678 5.444 ( 0.000 -18.720 -5.541) 19.523 5.736 ( 0.000 -3.183 -3.476) 4.713 6.082 ( 0.000 0.985 0.016) 0.986 6.273 ( 0.000 -8.361 -4.332) 9.417 6.588 ( -0.000 -21.591 5.625) 22.312 7.021 ( 0.000 13.680 -0.119) 13.680 7.793 ( -0.000 -8.959 10.077) 13.484 7.967 ( 0.000 8.806 -2.199) 9.076 9.071 ( 0.000 1.817 -2.526) 3.112 9.508 ( -0.000 -7.185 0.949) 7.247 10.297 ( 0.000 -24.354 -8.618) 25.834 10.991 ( 0.000 14.715 -0.234) 14.717 12.550 ( 0.000 -18.898 -2.550) 19.069 13.109 ( -0.000 7.943 8.495) 11.630 14.663 ( -0.000 0.587 3.433) 3.483 15.571 ( 0.000 20.587 -0.260) 20.588 18.525 ( 0.000 8.354 -2.198) 8.638 18.752 ( -0.000 -5.673 -0.035) 5.673 19.005 ( 0.000 -0.806 -0.130) 0.817 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -2.352 -5.665 0.938) 6.205 3.365 ( 6.329 -13.101 -2.133) 14.705 3.755 ( 8.510 -5.662 2.650) 10.559 3.951 ( 5.724 -22.698 7.520) 24.586 4.294 ( -2.723 8.667 -2.786) 9.502 5.213 ( -1.504 -21.040 -7.086) 22.252 5.652 ( -2.688 -7.170 -4.166) 8.717 6.048 ( -4.129 0.139 3.416) 5.361 6.193 ( 5.195 -15.745 -6.730) 17.894 6.444 ( 2.156 -8.615 4.710) 10.053 7.188 ( 2.921 9.604 2.972) 10.469 7.677 ( -0.454 -14.283 5.542) 15.327 8.163 ( 11.849 7.754 -4.611) 14.892 8.967 ( -12.152 2.260 3.389) 12.817 9.554 ( 9.765 -3.085 0.746) 10.268 10.011 ( 1.020 -29.313 -8.335) 30.492 11.164 ( 1.537 14.238 0.161) 14.322 12.378 ( 4.034 -22.330 -1.152) 22.721 13.190 ( -2.901 10.807 5.462) 12.451 14.660 ( -2.961 2.477 4.269) 5.756 15.808 ( 2.655 22.445 -0.377) 22.605 18.354 ( -25.980 -3.908 -0.003) 26.272 18.598 ( -1.958 10.116 -2.564) 10.617 19.266 ( 19.543 -5.110 -0.113) 20.201 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( -1.806 -2.800 0.892) 3.449 3.377 ( 11.775 -16.026 -0.502) 19.893 3.847 ( 7.534 -21.886 10.189) 25.289 3.884 ( 13.823 -12.036 -1.389) 18.381 4.314 ( -4.429 8.748 -2.984) 10.250 4.971 ( -0.386 -18.919 -6.632) 20.052 5.509 ( -2.148 -9.069 -4.308) 10.267 5.993 ( 4.575 -11.606 -1.136) 12.527 6.121 ( 0.451 -5.914 0.330) 5.941 6.466 ( 3.627 -2.183 2.012) 4.687 7.311 ( 1.794 5.395 6.129) 8.359 7.558 ( 5.425 -17.856 0.925) 18.685 8.423 ( 10.416 1.899 -5.084) 11.745 8.802 ( -9.924 6.174 1.972) 11.853 9.686 ( 5.654 -14.003 -9.400) 17.788 9.775 ( 8.073 -15.594 5.997) 18.556 11.301 ( -0.440 10.769 0.186) 10.780 12.228 ( 6.319 -25.133 0.379) 25.918 13.257 ( -4.453 13.641 2.527) 14.571 14.637 ( -4.446 4.475 4.616) 7.817 16.093 ( 2.935 22.321 -0.469) 22.518 17.887 ( -22.790 -0.980 0.001) 22.811 18.646 ( -4.034 10.861 -2.626) 11.880 19.492 ( 14.167 -8.850 -0.061) 16.704 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 0.698 0.071 0.213) 0.733 3.418 ( 11.986 -18.778 -1.027) 22.301 3.783 ( 9.727 -23.157 10.528) 27.234 4.001 ( 12.141 -10.750 -3.896) 16.678 4.300 ( -4.236 4.059 -1.561) 6.071 4.833 ( 4.692 -11.884 -4.365) 13.502 5.416 ( 2.643 -7.384 -2.989) 8.393 5.954 ( 10.545 -20.918 -3.702) 23.716 6.119 ( -0.643 4.680 2.895) 5.540 6.490 ( 0.261 -1.181 1.927) 2.275 7.406 ( 4.130 0.399 6.156) 7.424 7.520 ( 9.025 -14.038 -3.512) 17.054 8.425 ( -5.283 -7.230 4.636) 10.083 8.839 ( 3.392 10.679 -9.538) 14.715 9.519 ( 8.132 -27.500 -0.227) 28.678 9.892 ( 4.183 1.363 1.266) 4.578 11.362 ( -3.241 7.341 -0.799) 8.065 12.121 ( 10.537 -24.424 3.272) 26.801 13.317 ( -4.951 13.914 -0.453) 14.776 14.623 ( -4.161 5.771 4.860) 8.616 16.256 ( -9.144 15.340 -0.317) 17.862 17.655 ( -5.088 9.056 -0.050) 10.388 18.661 ( -5.955 10.384 -2.471) 12.223 19.571 ( 7.391 -12.858 -0.008) 14.831 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -0.000 -4.673 2.105) 5.125 3.156 ( 0.000 -15.964 -3.584) 16.362 3.627 ( -0.000 -6.235 4.460) 7.666 3.647 ( -0.000 -29.184 10.192) 30.912 4.399 ( 0.000 7.280 -7.603) 10.526 4.990 ( 0.000 -21.238 -6.358) 22.169 5.590 ( 0.000 -9.962 -2.267) 10.217 5.908 ( 0.000 -24.323 -7.701) 25.513 6.133 ( -0.000 3.297 2.337) 4.041 6.322 ( -0.000 -8.711 8.468) 12.148 7.264 ( 0.000 4.186 -0.804) 4.262 7.572 ( -0.000 -9.838 1.494) 9.950 8.095 ( 0.000 5.266 -3.390) 6.263 9.183 ( -0.000 5.483 14.161) 15.185 9.350 ( -0.000 -8.944 1.723) 9.109 9.667 ( 0.000 -31.766 -15.334) 35.274 11.329 ( 0.000 18.640 -0.172) 18.641 12.118 ( -0.000 -22.846 -0.640) 22.855 13.331 ( -0.000 11.116 3.960) 11.800 14.733 ( -0.000 4.618 5.308) 7.036 16.008 ( 0.000 22.567 -0.341) 22.569 18.615 ( -0.000 -7.865 -0.031) 7.865 18.718 ( 0.000 11.593 -2.822) 11.931 18.958 ( 0.000 -3.898 -0.486) 3.929 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( -0.894 -4.277 1.723) 4.697 3.035 ( 6.763 -18.471 -2.118) 19.784 3.424 ( 6.471 -29.700 8.762) 31.634 3.644 ( 7.471 -7.563 5.246) 11.855 4.379 ( -0.380 -6.681 -10.959) 12.840 4.806 ( -1.156 -9.381 -2.966) 9.906 5.442 ( -2.744 -11.958 -2.336) 12.489 5.672 ( 4.589 -26.537 -5.141) 27.418 6.156 ( -0.886 3.184 3.240) 4.628 6.340 ( 6.459 -4.517 4.685) 9.169 7.228 ( 6.143 -21.936 0.295) 22.782 7.477 ( -8.237 8.493 0.525) 11.843 8.250 ( 10.652 2.986 -4.431) 11.917 9.030 ( -11.106 -4.729 13.791) 18.327 9.322 ( 2.529 -30.677 -15.693) 34.551 9.539 ( 13.749 1.954 4.449) 14.583 11.490 ( -3.251 17.748 0.184) 18.045 11.905 ( 2.518 -24.015 -0.457) 24.151 13.443 ( -1.465 12.383 2.388) 12.696 14.774 ( -3.157 6.766 5.821) 9.468 16.262 ( 3.003 22.486 -0.352) 22.689 18.252 ( -22.483 -6.131 -0.034) 23.304 18.820 ( -2.356 12.977 -3.325) 13.602 19.128 ( 16.850 -8.643 -0.304) 18.940 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 2.180 -6.318 0.714) 6.722 3.006 ( 10.705 -18.035 0.046) 20.973 3.318 ( 12.107 -27.275 6.863) 30.620 3.722 ( 9.115 -8.982 2.598) 13.058 4.254 ( 4.448 -17.077 -9.774) 20.173 4.743 ( -2.600 2.499 -1.264) 3.822 5.291 ( 0.498 -11.205 -2.022) 11.397 5.528 ( 10.021 -25.431 -2.761) 27.473 6.185 ( -0.416 3.033 2.780) 4.135 6.425 ( 5.352 -3.042 2.973) 6.836 7.102 ( 9.807 -24.471 -3.079) 26.542 7.487 ( -2.512 8.778 3.150) 9.658 8.382 ( 3.884 -4.257 -1.605) 5.982 8.848 ( -1.023 -15.636 12.337) 19.943 9.116 ( 5.743 -13.857 -17.082) 22.733 9.794 ( 9.558 2.861 4.113) 10.792 11.568 ( -6.152 14.641 0.551) 15.891 11.734 ( 5.946 -23.209 0.510) 23.964 13.529 ( -3.823 12.463 0.856) 13.064 14.789 ( -5.177 8.250 5.974) 11.426 16.514 ( -0.814 19.251 -0.280) 19.270 17.867 ( -14.225 -0.619 -0.050) 14.238 18.874 ( -5.555 12.946 -3.394) 14.491 19.273 ( 11.896 -13.054 -0.051) 17.661 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 0.000 -22.044 -3.816) 22.372 2.861 ( -0.000 -20.280 -1.323) 20.323 3.162 ( -0.000 -15.387 14.596) 21.208 3.514 ( -0.000 -7.254 5.878) 9.337 4.159 ( 0.000 -26.792 -13.256) 29.892 4.812 ( 0.000 4.980 -1.273) 5.140 5.330 ( 0.000 -29.122 -6.190) 29.772 5.339 ( -0.000 -13.785 -0.511) 13.795 6.184 ( -0.000 -2.775 1.388) 3.103 6.234 ( -0.000 -3.708 5.167) 6.360 6.930 ( -0.000 -25.248 2.281) 25.351 7.685 ( 0.000 11.508 -0.825) 11.537 8.151 ( 0.000 1.932 -3.682) 4.159 8.860 ( 0.000 -36.972 -7.187) 37.664 9.176 ( -0.000 -9.018 2.192) 9.281 9.449 ( -0.000 9.662 8.016) 12.554 11.645 ( -0.000 -23.716 -0.757) 23.728 11.720 ( 0.000 19.983 -0.078) 19.983 13.580 ( -0.000 12.249 1.584) 12.352 14.898 ( -0.000 9.273 6.728) 11.457 16.453 ( 0.000 21.490 -0.267) 21.492 18.442 ( -0.000 -9.248 -0.021) 9.248 18.794 ( -0.000 -8.785 0.603) 8.806 18.996 ( 0.000 13.839 -5.076) 14.741 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 6.834 -26.601 -1.294) 27.495 2.681 ( 10.148 -28.473 -1.991) 30.293 3.096 ( -0.985 -3.788 11.056) 11.729 3.510 ( 5.923 -8.259 5.529) 11.570 3.875 ( 5.747 -31.040 -11.414) 33.567 4.853 ( -2.354 7.232 -1.134) 7.690 5.073 ( 5.338 -27.558 -6.074) 28.720 5.196 ( 0.568 -14.167 1.038) 14.216 6.116 ( 4.632 -15.668 -0.125) 16.339 6.287 ( 6.755 -2.955 3.710) 8.254 6.755 ( 2.682 -15.328 3.332) 15.914 7.689 ( -8.096 9.273 2.267) 12.517 8.237 ( 6.038 -3.478 -6.038) 9.221 8.518 ( 4.848 -31.654 -6.213) 32.620 9.051 ( -3.075 -4.963 -0.014) 5.838 9.673 ( 10.136 6.739 9.054) 15.171 11.419 ( 1.822 -23.460 -0.823) 23.546 11.866 ( -5.717 18.772 -0.089) 19.624 13.697 ( -1.257 12.050 0.869) 12.146 14.983 ( -3.900 11.301 7.136) 13.923 16.687 ( 2.429 19.555 -0.156) 19.705 18.116 ( -17.920 -7.179 -0.061) 19.304 18.888 ( 14.915 -12.924 0.848) 19.754 19.101 ( -3.468 14.245 -5.507) 15.661 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -0.000 -36.002 -0.991) 36.016 2.238 ( -0.000 -28.597 -2.898) 28.743 3.116 ( -0.000 -2.773 12.229) 12.540 3.394 ( -0.000 -7.222 6.565) 9.760 3.445 ( 0.000 -35.986 -12.049) 37.949 4.715 ( 0.000 -28.831 -6.244) 29.499 4.933 ( -0.000 3.764 1.118) 3.926 5.067 ( 0.000 -11.310 -1.558) 11.417 5.754 ( -0.000 -39.369 1.465) 39.396 6.212 ( -0.000 -0.352 2.827) 2.849 6.707 ( -0.000 1.859 5.214) 5.536 7.877 ( -0.000 6.025 4.190) 7.339 8.116 ( 0.000 -29.931 -16.803) 34.325 8.145 ( 0.000 -0.894 -2.893) 3.028 9.017 ( -0.000 -7.553 1.949) 7.801 9.670 ( -0.000 6.727 12.861) 14.513 11.172 ( 0.000 -22.478 -2.686) 22.638 12.112 ( 0.000 18.757 -0.009) 18.757 13.827 ( 0.000 11.672 0.528) 11.684 15.166 ( -0.000 14.335 8.064) 16.448 16.847 ( 0.000 17.328 -0.003) 17.328 18.252 ( -0.000 -9.439 -0.011) 9.439 18.549 ( -0.000 -15.197 0.729) 15.214 19.276 ( 0.000 15.616 -6.438) 16.891 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -0.000 -0.000 37.259) 37.259 0.495 ( -0.000 -0.000 37.259) 37.259 0.824 ( -0.000 -0.000 62.079) 62.079 3.015 ( 0.000 0.000 -19.754) 19.754 3.015 ( 0.000 0.000 -19.754) 19.754 3.720 ( -0.000 -0.000 11.449) 11.449 3.720 ( -0.000 -0.000 11.449) 11.449 4.995 ( 0.000 0.000 -35.812) 35.812 5.834 ( -0.000 -0.000 22.337) 22.337 6.302 ( 0.000 0.000 -0.061) 0.061 6.302 ( 0.000 0.000 -0.061) 0.061 7.011 ( 0.000 0.000 -0.016) 0.016 8.018 ( -0.000 -0.000 0.233) 0.233 8.018 ( -0.000 -0.000 0.233) 0.233 8.796 ( 0.000 0.000 -0.325) 0.325 8.796 ( 0.000 0.000 -0.325) 0.325 11.845 ( -0.000 -0.000 0.362) 0.362 12.774 ( -0.000 -0.000 0.006) 0.006 12.774 ( -0.000 -0.000 0.006) 0.006 14.233 ( 0.000 0.000 -0.362) 0.362 17.027 ( -0.000 -0.000 0.204) 0.204 17.896 ( -0.000 -0.000 0.004) 0.004 17.896 ( -0.000 -0.000 0.004) 0.004 21.095 ( -0.000 -0.000 0.075) 0.075 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 22.077 12.746 22.240) 33.831 1.036 ( 28.364 16.376 21.533) 39.196 1.629 ( 45.182 26.086 32.857) 61.656 3.042 ( 4.131 2.385 -15.564) 16.278 3.050 ( 5.938 3.429 -19.204) 20.391 3.828 ( 8.567 4.946 9.364) 13.621 4.049 ( 24.769 14.300 8.636) 29.876 4.621 ( -3.785 -2.185 -15.838) 16.429 5.425 ( -7.120 -4.111 15.585) 17.621 6.286 ( -1.133 -0.654 0.387) 1.365 6.941 ( -0.298 -0.172 -3.773) 3.789 7.046 ( 11.143 6.433 -7.408) 14.847 8.036 ( 1.202 0.694 -0.502) 1.476 8.136 ( 3.863 2.231 10.409) 11.325 8.826 ( 2.615 1.509 0.128) 3.022 9.462 ( 29.246 16.885 -34.702) 48.421 10.750 ( -21.857 -12.619 25.990) 36.228 12.689 ( -7.180 -4.145 0.020) 8.290 14.181 ( -4.358 -2.516 -0.402) 5.049 14.848 ( 47.547 27.451 -85.243) 101.394 17.108 ( 5.472 3.160 -1.361) 6.464 17.929 ( 4.751 2.743 -0.977) 5.572 17.945 ( 4.055 2.341 0.006) 4.682 20.340 ( -34.048 -19.658 38.733) 55.190 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 27.129 15.663 7.547) 32.223 1.725 ( 26.814 15.481 12.996) 33.579 2.664 ( 35.128 20.281 15.534) 43.435 3.134 ( 8.194 4.731 -4.495) 10.475 3.187 ( 8.667 5.004 -14.599) 17.700 4.150 ( 17.494 10.100 5.183) 20.854 4.657 ( 8.134 4.696 -16.634) 19.102 4.826 ( 35.000 20.207 7.978) 41.195 5.326 ( -1.641 -0.947 7.547) 7.782 6.270 ( -0.053 -0.031 1.660) 1.661 6.861 ( -3.585 -2.070 -1.123) 4.289 7.284 ( 11.184 6.457 -10.051) 16.365 8.054 ( 0.374 0.216 -2.394) 2.432 8.212 ( -0.352 -0.203 16.591) 16.596 8.921 ( 5.415 3.126 1.082) 6.345 9.865 ( 10.912 6.300 -10.344) 16.302 10.648 ( 7.772 4.487 0.828) 9.013 12.454 ( -12.842 -7.414 0.038) 14.829 14.037 ( -7.783 -4.494 -0.387) 8.996 15.106 ( -0.301 -0.174 -38.978) 38.980 17.109 ( -6.502 -3.754 -0.784) 7.549 18.075 ( 6.925 3.998 0.011) 7.997 18.170 ( 15.173 8.760 -2.826) 17.747 19.802 ( -21.182 -12.229 22.278) 33.084 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 28.911 16.692 -0.499) 33.387 2.314 ( 22.009 12.707 7.992) 26.641 3.059 ( 6.579 3.798 -10.748) 13.162 3.365 ( 8.642 4.989 -9.193) 13.568 3.659 ( 28.336 16.360 20.469) 38.595 4.634 ( 22.940 13.244 1.657) 26.540 4.845 ( 8.320 4.804 -8.825) 13.045 5.077 ( -3.515 -2.029 3.295) 5.228 5.843 ( 30.192 17.431 3.878) 35.078 6.304 ( 2.691 1.554 2.650) 4.084 6.853 ( 5.860 3.383 3.475) 7.607 7.527 ( 11.233 6.485 -15.152) 19.946 8.042 ( -0.795 -0.459 -3.276) 3.403 8.197 ( -2.097 -1.211 10.697) 10.967 9.071 ( 7.066 4.079 1.299) 8.262 10.002 ( 2.893 1.671 8.769) 9.384 10.983 ( 19.088 11.020 -9.687) 24.075 12.113 ( -16.242 -9.377 0.064) 18.754 13.837 ( -8.955 -5.170 0.146) 10.342 14.928 ( -7.184 -4.148 -20.751) 22.348 16.846 ( -15.032 -8.679 -0.021) 17.358 18.253 ( 8.177 4.721 0.020) 9.442 18.523 ( 14.346 8.283 -1.483) 16.632 19.398 ( -17.356 -10.020 11.825) 23.269 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 17.299 9.987 4.732) 20.528 2.785 ( 18.927 10.927 -2.707) 22.022 3.246 ( 15.719 9.075 -10.539) 20.988 3.534 ( 7.199 4.156 -5.355) 9.888 4.257 ( 16.633 9.603 18.636) 26.761 4.824 ( -4.152 -2.397 1.590) 5.052 5.186 ( 23.959 13.833 0.338) 27.668 5.203 ( 11.875 6.856 -6.103) 15.008 6.203 ( 3.277 1.892 -0.629) 3.836 6.403 ( 5.275 3.046 1.800) 6.352 7.240 ( 21.041 12.148 12.871) 27.494 7.602 ( -4.937 -2.850 -4.770) 7.433 8.010 ( -1.315 -0.759 -1.954) 2.475 8.341 ( 17.912 10.342 -12.714) 24.278 9.240 ( 7.150 4.128 0.515) 8.273 10.065 ( -0.262 -0.151 17.593) 17.596 11.416 ( 19.834 11.451 -10.721) 25.287 11.721 ( -17.300 -9.988 0.114) 19.977 13.650 ( -6.851 -3.955 1.454) 8.043 14.731 ( -6.160 -3.557 -13.181) 14.978 16.448 ( -18.839 -10.877 0.078) 21.754 18.442 ( 8.008 4.624 0.028) 9.247 18.796 ( 9.127 5.269 -0.344) 10.544 19.050 ( -14.380 -8.303 6.659) 17.890 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 6.001 3.465 -1.736) 7.144 3.140 ( 13.048 7.533 2.789) 15.322 3.669 ( 5.219 3.013 -3.152) 6.800 3.761 ( 26.519 15.311 -10.851) 32.487 4.331 ( -9.312 -5.376 8.842) 13.921 4.963 ( 12.822 7.403 5.993) 15.972 5.461 ( 10.262 5.925 -1.497) 11.944 5.719 ( 21.499 12.413 0.965) 24.844 6.201 ( -1.290 -0.745 -0.441) 1.554 6.546 ( 6.996 4.039 -0.999) 8.140 7.320 ( -13.788 -7.961 2.419) 16.104 7.726 ( 15.971 9.221 2.983) 18.681 7.971 ( -2.159 -1.247 0.443) 2.533 8.861 ( 25.790 14.890 -13.068) 32.521 9.397 ( 6.320 3.649 -0.403) 7.309 10.035 ( -6.196 -3.577 16.114) 17.630 11.330 ( -16.104 -9.298 0.196) 18.596 11.854 ( 19.986 11.539 -7.561) 24.285 13.544 ( -2.615 -1.510 2.019) 3.633 14.597 ( -3.137 -1.811 -8.970) 9.674 15.995 ( -19.870 -11.472 0.051) 22.944 18.615 ( 6.805 3.929 0.032) 7.858 18.754 ( -11.250 -6.495 3.613) 13.484 18.957 ( 4.156 2.399 0.449) 4.820 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 5.392 3.113 -0.093) 6.227 3.400 ( 9.018 5.206 1.731) 10.556 3.761 ( 3.155 1.821 -1.933) 4.124 4.042 ( -10.784 -6.226 1.939) 12.603 4.351 ( 20.748 11.979 -7.997) 25.257 5.245 ( 9.297 5.368 6.186) 12.390 5.650 ( 6.142 3.546 0.526) 7.112 6.146 ( 14.113 8.148 1.513) 16.366 6.172 ( -1.472 -0.850 1.949) 2.586 6.743 ( 11.185 6.457 -2.676) 13.189 7.013 ( -11.559 -6.674 0.244) 13.349 7.894 ( -5.107 -2.948 1.533) 6.093 8.053 ( 12.979 7.494 -7.810) 16.900 9.383 ( 19.122 11.040 5.679) 22.799 9.529 ( 5.137 2.966 -0.627) 5.965 9.839 ( -12.266 -7.082 4.525) 14.869 10.993 ( -12.717 -7.342 0.244) 14.686 12.300 ( 18.884 10.902 -2.775) 21.981 13.523 ( 0.090 0.052 -0.777) 0.784 14.552 ( 0.696 0.402 -5.054) 5.118 15.548 ( -18.391 -10.618 0.045) 21.236 18.535 ( -8.006 -4.622 2.272) 9.519 18.752 ( 4.902 2.830 0.033) 5.660 19.015 ( 0.986 0.569 0.262) 1.168 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 6.355 3.669 1.184) 7.433 3.564 ( 4.795 2.769 1.169) 5.659 3.782 ( -10.769 -6.217 2.817) 12.750 3.808 ( 1.348 0.778 -1.160) 1.941 4.736 ( 12.555 7.249 -8.946) 17.035 5.414 ( 4.455 2.572 5.640) 7.634 5.762 ( 3.927 2.267 0.138) 4.537 6.124 ( -3.410 -1.969 3.674) 5.385 6.361 ( 5.028 2.903 0.193) 5.809 6.822 ( -4.750 -2.743 -0.728) 5.533 7.059 ( 15.366 8.872 -1.041) 17.774 7.727 ( -9.554 -5.516 0.920) 11.070 8.304 ( 11.380 6.570 -18.247) 22.486 9.460 ( -17.614 -10.169 16.633) 26.274 9.627 ( 3.212 1.855 -0.338) 3.725 9.821 ( 13.904 8.027 3.331) 16.397 10.759 ( -7.246 -4.183 0.187) 8.369 12.671 ( 12.338 7.123 -0.295) 14.250 13.518 ( -0.179 -0.103 -6.010) 6.013 14.606 ( 4.234 2.445 -1.350) 5.072 15.170 ( -13.572 -7.836 0.422) 15.677 18.397 ( -4.302 -2.484 1.369) 5.153 18.839 ( 2.556 1.476 0.030) 2.952 19.019 ( -0.343 -0.198 -0.019) 0.397 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -0.325 -0.188 1.687) 1.729 3.621 ( -0.169 -0.097 0.872) 0.893 3.623 ( -0.014 -0.008 2.863) 2.863 3.823 ( 0.215 0.124 -0.679) 0.723 4.870 ( 0.756 0.436 -8.226) 8.272 5.495 ( 1.606 0.927 7.378) 7.607 5.827 ( 0.446 0.258 -0.625) 0.810 6.049 ( -2.506 -1.447 2.715) 3.967 6.418 ( 0.273 0.157 -0.057) 0.320 6.773 ( 0.256 0.148 -0.792) 0.845 7.325 ( -0.696 -0.402 -0.748) 1.098 7.531 ( 0.556 0.321 0.873) 1.084 8.489 ( 7.958 4.594 -28.359) 29.810 9.074 ( -16.032 -9.256 11.379) 21.730 9.666 ( 0.051 0.030 -0.183) 0.192 10.109 ( 7.864 4.540 19.352) 21.377 10.672 ( -0.085 -0.049 0.083) 0.129 12.822 ( 0.277 0.160 -0.008) 0.320 13.485 ( -1.172 -0.677 -9.839) 9.932 14.690 ( 0.942 0.544 0.001) 1.088 14.993 ( 0.525 0.303 1.836) 1.934 18.344 ( -0.457 -0.264 0.747) 0.915 18.869 ( -0.007 -0.004 0.024) 0.025 19.011 ( -0.128 -0.074 -0.302) 0.336 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( -6.664 -3.848 0.931) 7.751 3.560 ( -5.120 -2.956 0.925) 5.984 3.788 ( 10.239 5.912 3.062) 12.213 3.814 ( -1.047 -0.605 -0.784) 1.441 4.743 ( -10.075 -5.817 -8.054) 14.150 5.500 ( -4.652 -2.686 11.305) 12.517 5.751 ( -4.727 -2.729 -0.615) 5.492 6.058 ( 2.133 1.231 -0.769) 2.580 6.372 ( -4.664 -2.693 0.781) 5.441 6.831 ( 5.187 2.995 -0.418) 6.004 7.050 ( -15.229 -8.793 -1.452) 17.645 7.731 ( 9.308 5.374 1.101) 10.804 8.410 ( -10.893 -6.289 -21.959) 25.307 8.930 ( 3.356 1.938 1.681) 4.224 9.629 ( -3.097 -1.788 -0.215) 3.582 10.233 ( -2.043 -1.180 21.389) 21.519 10.756 ( 7.114 4.107 -0.016) 8.214 12.706 ( -9.455 -5.459 2.480) 11.196 13.415 ( -2.600 -1.501 -12.641) 12.993 14.666 ( -1.056 -0.610 1.798) 2.172 15.187 ( 13.420 7.748 1.389) 15.559 18.379 ( 3.349 1.934 0.324) 3.881 18.839 ( -2.568 -1.483 0.018) 2.965 19.012 ( 0.176 0.102 -0.404) 0.452 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -5.090 -2.939 -0.443) 5.895 3.392 ( -9.580 -5.531 1.221) 11.129 3.767 ( -2.861 -1.652 -1.490) 3.624 4.038 ( 9.187 5.304 1.625) 10.732 4.386 ( -18.079 -10.438 -5.844) 21.679 5.283 ( -14.852 -8.575 8.588) 19.180 5.669 ( -3.675 -2.122 2.309) 4.831 6.109 ( 2.447 1.413 -2.169) 3.562 6.184 ( -12.492 -7.212 3.858) 14.932 6.704 ( -13.264 -7.658 -4.994) 16.109 7.018 ( 10.706 6.181 0.286) 12.366 7.914 ( 6.245 3.606 2.577) 7.658 8.031 ( -17.187 -9.923 -10.379) 22.396 9.089 ( 8.764 5.060 -5.898) 11.713 9.527 ( -5.511 -3.182 -0.753) 6.408 10.067 ( -15.974 -9.223 13.192) 22.677 10.989 ( 12.727 7.348 -0.011) 14.696 12.434 ( -14.514 -8.380 6.679) 18.041 13.348 ( 0.320 0.185 -12.099) 12.104 14.680 ( 1.910 1.103 2.151) 3.081 15.560 ( 18.050 10.421 0.749) 20.855 18.498 ( 6.916 3.993 0.147) 7.988 18.751 ( -4.910 -2.835 0.014) 5.669 19.006 ( -0.939 -0.542 -0.255) 1.114 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( -4.142 -2.391 -0.980) 4.882 3.121 ( -14.157 -8.173 1.576) 16.423 3.676 ( -4.565 -2.636 -2.607) 5.881 3.788 ( -24.541 -14.169 -9.993) 30.048 4.294 ( 3.093 1.786 7.544) 8.346 4.922 ( -14.988 -8.653 3.384) 17.634 5.546 ( -7.854 -4.534 3.972) 9.901 5.808 ( -20.637 -11.915 6.856) 24.796 6.166 ( 2.899 1.673 -2.433) 4.138 6.435 ( -8.594 -4.962 -8.057) 12.782 7.267 ( 6.234 3.599 -1.034) 7.273 7.612 ( -14.113 -8.148 -4.159) 16.819 8.040 ( 4.134 2.387 4.459) 6.532 9.246 ( 0.583 0.337 8.754) 8.780 9.375 ( -7.295 -4.212 -1.834) 8.621 9.598 ( -20.123 -11.618 -9.096) 24.953 11.328 ( 16.161 9.331 0.039) 18.662 12.069 ( -18.213 -10.516 6.241) 21.938 13.406 ( 6.390 3.689 -6.607) 9.904 14.764 ( 5.189 2.996 0.861) 6.053 16.002 ( 19.628 11.332 0.451) 22.669 18.615 ( -6.808 -3.931 0.012) 7.862 18.695 ( 9.852 5.688 0.344) 11.382 18.954 ( -3.848 -2.222 0.162) 4.446 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -19.207 -11.089 2.015) 22.270 2.851 ( -17.841 -10.300 1.770) 20.676 3.253 ( -13.305 -7.681 -12.510) 19.812 3.547 ( -5.790 -3.343 -4.168) 7.879 4.083 ( -22.999 -13.279 9.068) 28.063 4.805 ( 4.177 2.412 0.624) 4.863 5.288 ( -24.942 -14.400 6.537) 29.533 5.329 ( -11.200 -6.466 2.462) 13.165 6.193 ( -3.135 -1.810 -1.230) 3.823 6.272 ( -4.190 -2.419 -6.158) 7.832 6.957 ( -21.113 -12.189 -5.904) 25.084 7.677 ( 10.297 5.945 1.423) 11.974 8.122 ( 1.937 1.118 4.746) 5.247 8.781 ( -31.951 -18.447 15.406) 39.981 9.192 ( -7.817 -4.513 -2.524) 9.372 9.537 ( 7.829 4.520 -17.102) 19.344 11.631 ( -20.214 -11.670 3.602) 23.617 11.719 ( 17.320 10.000 0.036) 20.000 13.592 ( 9.916 5.725 -2.143) 11.649 14.927 ( 8.957 5.171 -1.859) 10.508 16.451 ( 18.665 10.776 0.256) 21.554 18.442 ( -8.007 -4.623 0.012) 9.246 18.798 ( -7.733 -4.464 -0.517) 8.944 18.970 ( 11.521 6.651 2.623) 13.559 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.000 23.567 26.257) 35.282 1.027 ( -0.000 31.074 21.710) 37.907 1.716 ( -0.000 49.551 35.422) 60.910 2.974 ( 0.000 5.559 -19.998) 20.756 3.021 ( 0.000 5.433 -17.948) 18.753 3.914 ( -0.000 12.549 10.307) 16.239 4.000 ( -0.000 25.097 7.869) 26.301 4.574 ( 0.000 -4.627 -18.068) 18.651 5.432 ( -0.000 -11.443 14.654) 18.592 6.281 ( -0.000 -2.020 0.217) 2.032 6.947 ( 0.000 -4.607 -1.044) 4.723 7.071 ( 0.000 22.964 -8.824) 24.601 8.042 ( 0.000 2.327 -0.307) 2.347 8.115 ( -0.000 3.258 9.616) 10.153 8.818 ( 0.000 2.317 -0.162) 2.322 9.321 ( 0.000 25.574 -30.162) 39.545 10.859 ( -0.000 -21.644 22.348) 31.111 12.689 ( -0.000 -8.307 0.004) 8.307 14.179 ( 0.000 -4.932 -0.624) 4.972 14.679 ( 0.000 59.737 -76.945) 97.411 17.105 ( 0.000 5.906 -0.906) 5.975 17.932 ( 0.000 5.789 -0.950) 5.866 17.945 ( 0.000 4.684 0.007) 4.684 20.425 ( -0.000 -38.905 33.535) 51.364 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 12.258 24.798 13.373) 30.725 1.585 ( 17.915 27.397 15.929) 36.405 2.476 ( 21.446 37.536 23.303) 49.111 3.046 ( 4.797 5.144 -12.577) 14.410 3.085 ( 5.957 7.453 -16.011) 18.639 4.118 ( 5.505 18.806 7.713) 21.059 4.546 ( 15.542 20.417 -2.679) 25.799 4.598 ( 12.810 20.907 -9.865) 26.430 5.336 ( -1.933 -8.339 8.894) 12.344 6.270 ( 0.712 -1.311 0.067) 1.493 6.866 ( -1.507 -6.640 -1.157) 6.907 7.266 ( 0.782 16.775 -7.072) 18.222 8.080 ( -0.143 3.976 -1.419) 4.225 8.208 ( 3.165 -0.147 16.945) 17.239 8.879 ( 3.514 3.619 1.007) 5.144 9.626 ( 16.866 8.741 -21.427) 28.635 10.715 ( -5.104 4.453 7.638) 10.209 12.524 ( -6.871 -11.962 0.025) 13.795 14.088 ( -3.756 -6.622 -0.371) 7.622 14.994 ( 5.029 10.506 -46.916) 48.340 17.152 ( -0.316 -0.822 -1.120) 1.425 17.915 ( 0.024 0.613 0.027) 0.614 18.181 ( 9.590 17.178 -2.148) 19.791 20.003 ( -14.672 -24.385 25.145) 37.976 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 20.609 23.893 2.783) 31.676 2.179 ( 17.149 23.230 10.286) 30.652 2.950 ( 6.319 3.827 -8.728) 11.435 3.267 ( 9.115 9.195 -12.428) 17.947 3.440 ( 22.814 23.280 18.818) 37.637 4.507 ( 13.166 22.293 4.824) 26.337 4.740 ( 8.188 10.422 -13.357) 18.817 5.116 ( -2.053 -3.363 7.676) 8.628 5.546 ( 28.926 28.014 2.944) 40.375 6.283 ( 1.720 0.202 -0.887) 1.946 6.796 ( 1.703 -3.779 0.482) 4.172 7.431 ( 4.674 11.360 -11.061) 16.530 8.098 ( -2.568 5.391 -2.079) 6.323 8.247 ( -1.668 -1.856 15.046) 15.251 9.015 ( 6.057 5.525 2.749) 8.647 9.900 ( 11.938 0.504 -4.462) 12.755 10.852 ( 7.909 15.594 -3.946) 17.925 12.230 ( -11.229 -14.331 0.071) 18.206 13.922 ( -7.013 -6.878 -0.247) 9.826 14.932 ( -3.787 -3.253 -25.597) 26.079 17.016 ( -11.020 -5.825 -0.226) 12.467 17.978 ( 10.114 -6.259 -0.037) 11.895 18.547 ( 9.058 21.532 -1.612) 23.415 19.581 ( -15.091 -16.961 14.761) 27.079 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 21.671 20.571 -1.666) 29.927 2.678 ( 13.513 19.493 5.601) 24.371 3.050 ( 8.864 0.977 -10.230) 13.571 3.490 ( 7.256 11.224 -7.793) 15.471 4.089 ( 20.672 16.477 19.480) 32.837 4.865 ( -2.594 -3.033 1.510) 4.267 5.015 ( 14.827 20.326 3.630) 25.420 5.082 ( 9.019 8.079 -7.006) 13.989 6.146 ( 8.755 8.835 0.857) 12.467 6.345 ( 4.923 2.117 -0.978) 5.448 7.003 ( 20.408 9.970 8.414) 24.222 7.569 ( 3.634 1.202 -9.240) 10.001 8.079 ( -4.285 3.813 -6.692) 8.814 8.273 ( 2.198 10.661 4.572) 11.807 9.192 ( 5.855 6.927 2.592) 9.433 10.044 ( 5.540 -2.211 8.981) 10.781 11.216 ( 15.476 16.380 -8.759) 24.177 11.869 ( -13.382 -14.105 0.197) 19.444 13.726 ( -7.316 -6.432 0.393) 9.750 14.757 ( -5.364 -4.811 -15.326) 16.935 16.686 ( -18.311 -7.669 0.122) 19.853 18.114 ( 15.260 -11.775 0.009) 19.275 18.882 ( 4.810 20.789 -0.527) 21.345 19.205 ( -13.678 -13.130 8.322) 20.706 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 6.741 5.119 -2.244) 8.756 3.069 ( 10.278 16.286 4.189) 19.709 3.377 ( 22.750 10.249 -10.271) 26.983 3.718 ( 6.454 15.988 -5.264) 18.027 4.413 ( -2.125 -3.191 12.775) 13.337 4.834 ( 8.969 4.041 3.774) 10.537 5.327 ( 11.263 7.724 -0.946) 13.690 5.553 ( 17.308 20.759 1.265) 27.057 6.201 ( -0.271 -1.476 -1.556) 2.162 6.459 ( 5.794 2.112 -1.454) 6.336 7.447 ( -4.881 -4.897 3.472) 7.737 7.532 ( 14.936 6.434 4.281) 16.817 8.042 ( -3.127 4.502 -3.247) 6.370 8.627 ( 17.576 23.039 -9.857) 30.608 9.349 ( 4.320 5.340 1.098) 6.955 10.080 ( -0.195 -5.714 12.897) 14.108 11.502 ( -13.983 -10.548 0.067) 17.516 11.653 ( 17.437 16.613 -7.550) 25.240 13.564 ( -3.941 -5.821 1.020) 7.103 14.606 ( -3.560 -3.666 -9.964) 11.198 16.255 ( -21.315 -8.683 0.193) 23.017 18.253 ( 16.638 -16.228 0.062) 23.242 18.884 ( -11.502 -10.048 4.746) 15.993 19.122 ( -0.382 19.586 0.068) 19.589 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 5.681 0.994 -0.565) 5.795 3.369 ( 6.209 13.709 2.565) 15.267 3.715 ( 7.462 6.102 -4.559) 10.663 4.096 ( 11.386 17.278 -8.326) 22.305 4.217 ( -4.460 -6.059 4.033) 8.536 5.122 ( 12.167 4.999 7.208) 15.000 5.557 ( 7.947 3.705 1.489) 8.894 6.012 ( 13.256 13.160 0.783) 18.695 6.191 ( 0.817 1.772 1.220) 2.301 6.590 ( 8.301 0.657 -0.224) 8.330 7.183 ( -12.157 -4.842 -4.146) 13.727 7.868 ( 12.791 4.656 -4.371) 14.297 8.027 ( -5.578 6.941 4.673) 10.056 9.171 ( 19.640 18.758 -5.177) 27.648 9.448 ( 4.309 -0.774 2.790) 5.191 9.972 ( -7.255 -6.765 7.962) 12.720 11.178 ( -14.015 -4.843 0.051) 14.828 12.124 ( 17.690 17.953 -3.487) 25.444 13.479 ( 0.564 -5.996 -0.655) 6.058 14.526 ( -0.154 -1.855 -6.019) 6.300 15.793 ( -21.224 -8.967 0.225) 23.042 18.358 ( 16.336 -20.246 0.025) 26.015 18.629 ( -8.592 -7.466 2.874) 11.740 19.268 ( -5.070 19.462 0.139) 20.112 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 7.170 0.341 1.040) 7.253 3.571 ( 2.435 10.521 1.640) 10.923 3.815 ( -1.251 1.826 -0.537) 2.278 3.925 ( -9.047 -3.171 1.864) 9.766 4.595 ( 14.930 15.823 -10.652) 24.223 5.342 ( 7.593 1.550 7.440) 10.743 5.684 ( 5.322 -0.626 0.639) 5.396 6.136 ( 0.220 -2.729 1.656) 3.200 6.356 ( 3.951 10.733 1.557) 11.542 6.737 ( 6.614 -6.022 5.501) 10.501 7.033 ( -0.340 8.671 -9.133) 12.598 7.920 ( -10.139 4.681 1.792) 11.311 8.130 ( 9.702 5.141 -11.705) 16.049 9.407 ( 3.430 -11.334 -5.416) 13.022 9.645 ( 4.964 -0.067 29.601) 30.015 9.815 ( -1.061 10.351 -9.992) 14.426 10.931 ( -12.431 1.917 -0.060) 12.578 12.575 ( 13.223 16.880 -0.440) 21.447 13.440 ( 2.802 -7.308 -5.328) 9.468 14.542 ( 3.985 0.218 -2.281) 4.597 15.360 ( -18.032 -8.333 0.392) 19.868 18.411 ( 12.806 -20.822 -0.107) 24.445 18.455 ( -2.527 -7.615 1.801) 8.223 19.345 ( -8.482 19.825 0.046) 21.563 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( 7.212 -1.046 2.078) 7.578 3.637 ( -4.044 -3.865 3.003) 6.349 3.691 ( -3.307 4.164 1.143) 5.439 3.905 ( -3.603 8.878 -0.779) 9.613 4.867 ( 3.767 9.461 -10.481) 14.613 5.464 ( 4.130 0.013 8.172) 9.156 5.760 ( 5.243 -2.356 -0.434) 5.764 6.077 ( -2.808 -4.150 3.210) 5.951 6.470 ( -1.324 7.866 0.298) 7.982 6.704 ( 1.210 -7.827 -0.769) 7.957 7.262 ( 10.327 9.605 -1.127) 14.148 7.742 ( -15.539 6.530 1.357) 16.910 8.308 ( 9.996 2.906 -22.906) 25.161 9.204 ( -9.113 -15.139 4.258) 18.176 9.594 ( 0.232 -6.547 7.591) 10.026 10.122 ( 8.547 14.102 13.235) 21.145 10.793 ( -8.795 7.659 0.069) 11.663 12.861 ( 2.273 10.988 -0.672) 11.240 13.401 ( 3.380 -7.717 -9.080) 12.387 14.643 ( 5.508 1.633 -0.248) 5.750 15.040 ( -9.096 -5.376 1.219) 10.636 18.351 ( -1.455 -2.800 0.933) 3.291 18.438 ( 14.708 -25.053 -0.064) 29.051 19.377 ( -10.671 19.905 -0.068) 22.585 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( -3.330 -7.173 1.975) 8.151 3.637 ( 4.189 1.101 2.717) 5.113 3.686 ( -1.696 4.305 1.048) 4.744 3.917 ( -5.118 8.759 -0.206) 10.147 4.867 ( -7.712 2.553 -9.945) 12.841 5.528 ( 0.929 -1.484 10.946) 11.085 5.767 ( -1.330 -5.565 -0.097) 5.723 6.023 ( 1.233 -1.843 0.630) 2.305 6.476 ( -5.439 5.214 0.443) 7.547 6.659 ( 3.770 -9.767 -2.506) 10.765 7.350 ( -11.911 4.856 2.285) 13.064 7.690 ( 2.961 11.193 -0.862) 11.610 8.387 ( 2.099 -1.555 -29.083) 29.200 8.929 ( -6.334 -8.891 9.174) 14.259 9.578 ( 3.469 -6.517 3.470) 8.158 10.342 ( -1.107 7.024 19.214) 20.487 10.792 ( -2.107 11.457 0.070) 11.650 12.860 ( -8.717 2.604 -0.820) 9.134 13.354 ( 1.402 -6.864 -10.947) 12.996 14.673 ( -1.356 -2.269 0.701) 2.734 15.051 ( 9.798 4.950 1.619) 11.096 18.342 ( 2.039 -0.320 0.616) 2.154 18.435 ( 14.259 -25.776 -0.237) 29.458 19.376 ( -12.047 19.183 -0.130) 22.652 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( -4.075 -6.571 0.531) 7.750 3.556 ( -10.560 2.059 0.811) 10.789 3.831 ( 1.742 2.934 0.925) 3.535 3.940 ( 3.526 6.903 1.792) 7.956 4.617 ( -17.712 -3.448 -9.460) 20.373 5.434 ( -10.072 -8.997 11.955) 18.036 5.680 ( -1.174 -4.014 0.951) 4.289 6.059 ( 3.156 -0.517 -2.285) 3.930 6.377 ( -11.655 2.182 2.275) 12.073 6.609 ( 3.973 -13.567 -1.938) 14.269 7.187 ( -11.980 11.785 -1.183) 16.846 7.888 ( 5.199 9.264 1.593) 10.742 8.178 ( -12.334 -7.313 -15.967) 21.461 8.910 ( 8.322 -4.387 -1.864) 9.591 9.579 ( -0.396 -0.952 2.244) 2.470 10.284 ( -12.539 -2.767 15.334) 20.001 10.932 ( 4.123 11.727 0.103) 12.431 12.657 ( -15.081 -1.726 4.561) 15.850 13.275 ( 1.652 -5.762 -13.282) 14.572 14.647 ( 1.457 -2.158 1.357) 2.936 15.374 ( 16.187 10.899 0.896) 19.534 18.412 ( 12.616 -24.986 -0.261) 27.992 18.418 ( 5.699 1.200 0.552) 5.850 19.342 ( -13.056 17.377 -0.107) 21.736 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -2.509 -4.648 -1.081) 5.391 3.342 ( -15.367 -0.189 1.100) 15.408 3.779 ( -8.028 3.175 -0.873) 8.677 4.051 ( -12.677 -3.801 -6.833) 14.894 4.263 ( -2.632 -0.224 1.782) 3.186 5.112 ( -16.095 -11.247 7.260) 20.934 5.598 ( -4.159 -6.106 3.662) 8.246 6.068 ( -10.013 -5.113 1.695) 11.370 6.137 ( -6.037 0.326 0.408) 6.059 6.502 ( -4.187 -5.345 -4.151) 7.959 7.225 ( 3.210 10.042 -2.322) 10.795 7.766 ( -16.867 -10.783 -7.212) 21.279 8.093 ( 1.222 11.381 5.506) 12.702 9.034 ( 12.213 -7.143 -6.756) 15.679 9.542 ( -6.879 4.309 2.957) 8.639 9.916 ( -24.571 -9.109 5.285) 26.733 11.167 ( 11.262 8.849 -0.348) 14.327 12.325 ( -19.757 -6.112 6.016) 21.538 13.293 ( 7.173 -0.209 -9.026) 11.531 14.689 ( 4.821 -0.690 0.163) 4.873 15.802 ( 18.214 13.533 0.558) 22.699 18.354 ( 9.534 -24.460 -0.092) 26.252 18.574 ( 9.255 3.236 0.786) 9.836 19.265 ( -14.281 14.346 0.012) 20.242 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -4.886 -3.214 -0.830) 5.907 3.024 ( -18.972 -2.541 1.191) 19.179 3.480 ( -26.476 -10.012 -7.488) 29.279 3.680 ( -10.768 2.279 -5.447) 12.281 4.311 ( -7.976 -3.925 9.560) 13.054 4.791 ( -5.568 -4.882 1.777) 7.616 5.422 ( -8.580 -8.310 3.585) 12.471 5.639 ( -25.103 -8.218 4.865) 26.859 6.176 ( 2.898 0.898 -2.883) 4.185 6.371 ( -7.008 2.019 -4.766) 8.712 7.239 ( -22.196 -6.320 -2.982) 23.270 7.483 ( 10.495 -2.098 -1.200) 10.770 8.214 ( -2.142 10.544 6.118) 12.377 9.109 ( 6.237 -9.994 -7.522) 13.977 9.211 ( -31.706 -14.311 14.378) 37.640 9.592 ( -5.681 12.064 -10.701) 17.098 11.491 ( 16.954 6.219 -0.232) 18.060 11.893 ( -21.653 -9.339 3.190) 23.796 13.462 ( 10.575 4.180 -3.340) 11.851 14.802 ( 8.266 1.041 -2.360) 8.659 16.259 ( 18.024 13.861 0.362) 22.741 18.252 ( 5.918 -22.548 0.018) 23.312 18.802 ( 12.149 4.246 1.742) 12.987 19.126 ( -16.163 10.337 0.269) 19.188 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -0.000 28.135 11.541) 30.410 1.746 ( -0.000 31.282 14.526) 34.490 2.731 ( -0.000 30.849 14.315) 34.009 3.050 ( 0.000 9.657 -16.780) 19.360 3.085 ( 0.000 13.895 -3.697) 14.378 4.298 ( -0.000 21.638 6.674) 22.643 4.594 ( 0.000 13.751 -15.069) 20.400 4.771 ( 0.000 43.593 3.050) 43.700 5.285 ( -0.000 -7.167 6.658) 9.782 6.233 ( -0.000 -2.624 0.794) 2.742 6.788 ( 0.000 -8.861 -2.123) 9.112 7.468 ( 0.000 19.490 -8.353) 21.204 8.099 ( 0.000 3.437 -1.406) 3.713 8.252 ( -0.000 4.167 21.413) 21.815 8.888 ( 0.000 4.564 0.396) 4.581 9.496 ( 0.000 5.504 -18.367) 19.174 10.840 ( -0.000 9.524 3.018) 9.990 12.453 ( -0.000 -14.826 0.023) 14.826 14.033 ( -0.000 -9.144 -0.458) 9.155 14.960 ( 0.000 6.402 -37.867) 38.405 17.103 ( -0.000 -7.215 -0.492) 7.232 18.075 ( 0.000 8.000 0.014) 8.000 18.172 ( 0.000 17.581 -2.448) 17.750 19.911 ( -0.000 -26.965 21.069) 34.220 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 7.824 28.972 3.933) 30.266 2.203 ( 12.178 27.358 11.253) 31.990 2.899 ( 1.629 2.818 -9.175) 9.735 3.186 ( 7.432 10.751 -13.019) 18.448 3.467 ( 10.730 32.342 18.281) 38.670 4.602 ( 6.356 25.689 5.180) 26.966 4.739 ( 3.198 15.158 -12.686) 20.023 5.123 ( -1.254 -4.015 6.931) 8.107 5.485 ( 16.189 39.668 2.112) 42.896 6.234 ( 2.206 -1.719 -1.218) 3.050 6.709 ( 1.483 -6.732 -0.612) 6.921 7.553 ( -5.222 12.739 -9.729) 16.858 8.155 ( 1.379 3.932 -5.221) 6.680 8.337 ( -1.966 6.067 21.670) 22.589 8.979 ( 4.524 5.585 2.823) 7.722 9.632 ( 13.817 0.357 -10.359) 17.273 10.967 ( -0.056 17.859 -1.974) 17.968 12.230 ( -6.762 -16.906 0.068) 18.208 13.917 ( -2.227 -10.105 -0.298) 10.352 14.897 ( -1.923 -2.256 -25.123) 25.297 17.015 ( 0.524 -12.280 -0.138) 12.292 17.981 ( -10.624 5.660 -0.076) 12.038 18.547 ( 13.758 18.677 -1.527) 23.248 19.621 ( -8.077 -22.205 14.465) 27.705 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 15.230 26.542 -1.291) 30.629 2.697 ( 11.689 23.474 6.345) 26.980 2.929 ( 3.817 0.943 -8.737) 9.581 3.435 ( 10.382 11.850 -8.728) 18.010 4.025 ( 13.841 24.506 18.384) 33.617 4.879 ( -1.027 0.033 0.446) 1.120 5.029 ( 8.796 18.286 -4.202) 20.723 5.062 ( 3.836 14.140 4.489) 15.323 6.107 ( 9.682 15.777 1.925) 18.611 6.270 ( 4.906 2.535 -5.703) 7.938 6.813 ( 13.766 9.505 5.828) 17.715 7.543 ( -1.955 1.791 -6.351) 6.882 8.157 ( -3.022 3.428 -13.005) 13.785 8.439 ( -1.433 15.216 14.345) 20.961 9.160 ( 6.989 6.884 5.792) 11.392 9.852 ( 13.095 -3.723 -0.728) 13.633 11.206 ( 5.925 21.211 -5.238) 22.638 11.911 ( -9.621 -16.765 0.247) 19.331 13.753 ( -4.742 -9.965 -0.127) 11.037 14.757 ( -4.167 -4.813 -15.867) 17.096 16.840 ( -7.264 -12.409 0.126) 14.379 17.884 ( -1.652 -2.648 0.059) 3.121 18.946 ( 10.551 17.958 -0.488) 20.833 19.284 ( -10.330 -17.094 8.730) 21.798 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 4.673 6.294 -1.876) 8.061 3.053 ( 15.700 17.264 0.138) 23.336 3.174 ( 12.365 20.403 -5.755) 24.541 3.730 ( 9.789 15.004 -4.649) 18.508 4.424 ( 3.858 5.656 14.307) 15.861 4.769 ( 0.626 -1.713 1.288) 2.232 5.255 ( 7.931 11.947 -0.465) 14.347 5.534 ( 12.595 25.758 4.174) 28.975 6.165 ( 0.801 -3.938 -3.320) 5.212 6.392 ( 4.027 2.905 -4.060) 6.414 7.319 ( 18.871 14.859 11.333) 26.559 7.471 ( -2.555 -7.520 -3.250) 8.582 8.124 ( -1.720 8.028 -14.093) 16.310 8.686 ( 5.065 24.082 4.788) 25.071 9.340 ( 4.046 5.442 4.579) 8.182 9.978 ( 6.780 -6.675 4.137) 10.374 11.563 ( 10.247 16.116 -4.647) 19.656 11.595 ( -7.800 -7.133 -0.881) 10.607 13.566 ( -4.868 -9.886 0.228) 11.021 14.608 ( -3.917 -4.323 -10.064) 11.632 16.515 ( -16.591 -10.132 0.311) 19.442 17.869 ( 7.728 -11.904 0.066) 14.192 18.963 ( -9.750 -13.527 5.302) 17.497 19.268 ( 5.419 17.364 -0.165) 18.190 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 4.169 0.599 -0.246) 4.219 3.443 ( 6.293 18.535 3.531) 19.890 3.598 ( 14.758 15.545 -9.469) 23.433 4.069 ( 11.228 19.387 -4.561) 22.864 4.283 ( -10.073 -10.681 4.498) 15.355 4.978 ( 11.498 6.183 6.031) 14.381 5.492 ( 6.284 7.552 4.487) 10.801 5.962 ( 8.481 15.172 -0.140) 17.382 6.172 ( 5.184 2.869 1.318) 6.070 6.478 ( 4.912 0.665 -1.120) 5.082 7.280 ( -7.397 -7.341 -7.866) 13.057 7.692 ( 11.598 4.627 0.214) 12.488 8.210 ( -1.382 13.500 3.529) 14.022 9.104 ( 13.204 24.263 0.327) 27.625 9.394 ( -0.562 -2.896 1.747) 3.428 9.977 ( 0.259 -6.419 2.293) 6.821 11.340 ( -9.242 -4.633 0.520) 10.351 12.024 ( 15.887 22.417 -3.723) 27.726 13.402 ( -1.890 -10.833 -0.359) 11.003 14.503 ( -1.646 -2.961 -6.164) 7.034 16.088 ( -21.270 -8.447 0.411) 22.890 17.892 ( 12.417 -19.105 0.032) 22.786 18.696 ( -8.258 -10.100 3.097) 13.409 19.492 ( 0.710 16.810 0.053) 16.825 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 5.596 -0.082 1.422) 5.774 3.682 ( 1.048 15.687 1.380) 15.782 3.859 ( 0.505 5.116 -1.391) 5.325 4.026 ( -5.357 -3.871 0.839) 6.663 4.492 ( 14.076 20.198 -9.720) 26.468 5.222 ( 10.002 1.939 7.354) 12.565 5.612 ( 2.134 0.518 3.057) 3.764 6.081 ( 3.155 -1.374 -1.844) 3.904 6.418 ( 4.513 14.237 1.764) 15.039 6.588 ( 7.576 -1.983 9.832) 12.570 7.101 ( -4.093 1.109 -14.900) 15.491 7.888 ( 10.140 1.582 -9.765) 14.166 8.280 ( -9.352 13.389 9.646) 18.967 9.288 ( -2.402 -9.235 -3.588) 10.195 9.567 ( 13.223 11.234 16.887) 24.212 9.895 ( -2.577 -0.209 -6.671) 7.155 11.178 ( -10.298 5.698 -0.302) 11.773 12.521 ( 15.376 21.318 -0.534) 26.290 13.280 ( 1.851 -13.001 -3.567) 13.608 14.475 ( 2.211 -1.152 -2.953) 3.865 15.633 ( -21.657 -7.198 0.501) 22.827 17.907 ( 14.239 -24.144 -0.090) 28.030 18.492 ( -5.836 -7.046 1.847) 9.334 19.635 ( -3.412 16.671 0.054) 17.017 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 7.065 -0.633 2.447) 7.503 3.676 ( -7.071 -9.492 3.502) 12.344 3.825 ( -2.663 11.764 -0.188) 12.063 4.085 ( -2.776 14.242 -0.617) 14.523 4.851 ( 8.770 13.550 -12.534) 20.436 5.400 ( 6.638 1.374 9.663) 11.803 5.635 ( 3.622 -4.042 0.478) 5.449 6.072 ( -0.942 -4.365 1.336) 4.661 6.565 ( 2.717 2.765 1.162) 4.047 6.644 ( -2.928 2.419 2.263) 4.420 7.177 ( 8.845 7.394 -4.976) 12.557 8.040 ( 3.033 6.612 -10.229) 12.552 8.191 ( -9.697 5.295 -3.034) 11.457 9.150 ( -1.694 -10.045 0.473) 10.198 9.598 ( -5.958 -10.966 13.080) 18.079 10.116 ( 11.817 16.754 4.064) 20.901 11.088 ( -11.410 13.602 -0.287) 17.756 12.918 ( 6.851 14.582 -1.925) 16.226 13.193 ( 5.829 -13.154 -5.638) 15.453 14.548 ( 6.367 1.397 -0.683) 6.554 15.220 ( -17.688 -5.453 0.720) 18.524 17.905 ( 15.193 -27.049 -0.285) 31.025 18.363 ( -2.857 -4.342 1.145) 5.322 19.713 ( -6.654 16.478 -0.002) 17.771 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 1.990 -4.760 2.882) 5.910 3.537 ( 2.299 -4.753 3.207) 6.178 3.859 ( -6.268 9.974 -0.472) 11.789 4.146 ( -6.944 14.592 0.595) 16.171 4.976 ( -1.947 5.250 -12.451) 13.652 5.519 ( 2.322 1.738 11.524) 11.883 5.675 ( 4.898 -5.706 -0.039) 7.521 5.993 ( -1.474 -4.926 1.464) 5.346 6.511 ( -0.472 -9.463 -3.588) 10.131 6.679 ( -5.325 12.242 1.166) 13.401 7.404 ( 8.547 3.310 3.954) 9.981 7.931 ( -15.487 9.882 -2.979) 18.611 8.227 ( 7.561 0.341 -23.540) 24.727 8.995 ( -7.856 -7.282 7.060) 12.829 9.460 ( 1.607 -8.625 7.193) 11.345 10.441 ( 4.866 11.218 14.067) 18.638 11.050 ( -10.285 17.217 -0.315) 20.058 12.954 ( -0.986 -5.960 -11.547) 13.032 13.240 ( 2.908 -0.692 0.598) 3.049 14.664 ( 1.916 -0.219 0.026) 1.929 14.997 ( -1.454 2.319 1.177) 2.979 17.898 ( 15.915 -27.800 -0.432) 32.036 18.312 ( 0.483 -2.002 0.774) 2.201 19.737 ( -9.114 15.703 -0.043) 18.156 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( -3.748 -7.609 1.965) 8.706 3.673 ( 10.765 1.026 3.166) 11.268 3.806 ( -9.348 7.437 -0.495) 11.955 4.141 ( -9.405 12.815 1.073) 15.932 4.848 ( -12.413 -0.423 -12.001) 17.271 5.520 ( -6.255 -6.631 14.066) 16.761 5.641 ( 0.663 -4.982 0.706) 5.075 5.985 ( 3.455 -1.228 -2.864) 4.653 6.425 ( 2.705 -9.163 -2.290) 9.825 6.641 ( -11.863 8.441 1.689) 14.657 7.463 ( -6.877 3.460 2.515) 8.099 7.900 ( 3.046 9.266 -4.494) 10.739 8.218 ( -2.793 -2.459 -19.874) 20.219 8.816 ( -4.703 -6.022 7.689) 10.841 9.515 ( 6.930 -0.548 4.393) 8.224 10.507 ( -8.910 1.969 13.710) 16.469 11.084 ( -5.660 16.233 -0.266) 17.193 12.845 ( -3.160 -3.928 -5.529) 7.482 13.177 ( -4.467 -5.962 -4.693) 8.805 14.609 ( -1.158 -4.071 0.556) 4.269 15.225 ( 13.857 12.125 0.832) 18.431 17.899 ( 15.744 -26.789 -0.411) 31.076 18.343 ( 4.016 -0.104 0.658) 4.071 19.711 ( -11.026 14.030 -0.042) 17.844 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -2.638 -5.803 0.398) 6.386 3.639 ( -15.066 5.600 -0.060) 16.073 3.898 ( 6.746 2.333 2.070) 7.432 4.105 ( -5.886 9.140 1.893) 11.035 4.494 ( -21.147 -4.742 -11.065) 24.333 5.270 ( -12.803 -11.217 9.609) 19.547 5.602 ( -1.919 -4.800 3.693) 6.353 6.029 ( 3.093 -0.210 -4.501) 5.465 6.356 ( -7.056 -7.097 2.338) 10.278 6.499 ( -6.517 3.540 1.513) 7.570 7.360 ( -7.915 6.841 -5.478) 11.809 7.924 ( -10.384 -5.899 -10.998) 16.235 8.189 ( 3.893 12.398 7.168) 14.841 8.763 ( 5.547 -8.296 -2.119) 10.202 9.645 ( 2.339 6.034 2.720) 7.020 10.249 ( -20.466 -6.159 7.310) 22.588 11.156 ( -0.337 9.893 -0.939) 9.943 12.650 ( -19.089 -1.607 4.939) 19.783 13.103 ( 8.483 -5.351 -10.061) 14.206 14.595 ( 3.431 -2.914 -0.314) 4.512 15.638 ( 17.109 14.658 0.623) 22.538 17.900 ( 13.878 -24.412 -0.246) 28.082 18.451 ( 7.597 1.235 0.873) 7.746 19.633 ( -12.755 11.374 0.002) 17.090 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -0.851 -3.153 -1.045) 3.429 3.375 ( -20.028 2.474 0.205) 20.182 3.872 ( -16.047 5.112 2.392) 17.010 3.915 ( -22.134 -4.458 -10.035) 24.708 4.295 ( 6.712 0.847 2.818) 7.329 4.928 ( -15.376 -9.116 6.014) 18.860 5.483 ( -6.157 -6.157 3.552) 9.404 5.980 ( -17.422 -3.418 2.283) 17.900 6.130 ( -0.413 -0.805 -2.029) 2.221 6.476 ( -2.517 1.836 -1.050) 3.287 7.351 ( 1.965 4.700 -5.910) 7.803 7.567 ( -20.227 -5.970 -1.763) 21.163 8.379 ( -1.593 11.634 7.846) 14.122 8.829 ( 12.339 -8.080 -5.968) 15.911 9.621 ( -20.796 -3.044 9.847) 23.210 9.815 ( -13.018 1.875 -5.894) 14.413 11.303 ( 9.474 4.813 -0.522) 10.640 12.222 ( -24.529 -5.981 1.990) 25.326 13.279 ( 13.275 1.636 -3.830) 13.913 14.661 ( 6.812 -1.314 -2.439) 7.354 16.090 ( 17.910 13.722 0.463) 22.567 17.887 ( 10.506 -20.232 -0.061) 22.797 18.632 ( 11.044 1.878 1.657) 11.325 19.492 ( -14.759 7.860 0.053) 16.722 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 0.000 31.554 1.371) 31.584 2.379 ( -0.000 26.010 10.750) 28.144 2.888 ( 0.000 1.415 -9.844) 9.946 3.196 ( 0.000 11.016 -12.248) 16.474 3.766 ( -0.000 34.598 18.661) 39.309 4.817 ( 0.000 27.437 2.824) 27.582 4.848 ( 0.000 14.209 -8.594) 16.605 5.100 ( -0.000 -4.125 2.377) 4.761 5.780 ( 0.000 40.888 3.847) 41.068 6.195 ( -0.000 -1.411 1.365) 1.963 6.645 ( 0.000 -0.934 -0.640) 1.132 7.705 ( 0.000 7.295 -10.570) 12.843 8.154 ( 0.000 2.535 -2.125) 3.308 8.476 ( -0.000 9.021 14.209) 16.831 9.003 ( -0.000 6.680 0.803) 6.728 9.496 ( 0.000 2.045 -2.120) 2.945 11.154 ( 0.000 20.308 -4.274) 20.752 12.113 ( -0.000 -18.715 0.061) 18.715 13.820 ( -0.000 -11.750 -0.047) 11.750 14.836 ( 0.000 -3.655 -20.320) 20.646 16.847 ( -0.000 -16.995 0.082) 16.995 18.253 ( 0.000 9.446 0.022) 9.446 18.522 ( 0.000 16.510 -1.296) 16.561 19.490 ( -0.000 -22.441 11.535) 25.232 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 4.341 28.960 -0.688) 29.291 2.759 ( 9.644 23.680 6.432) 26.366 2.889 ( 1.240 2.819 -7.751) 8.340 3.359 ( 8.261 11.162 -8.791) 16.435 4.179 ( 4.778 28.970 16.942) 33.899 4.887 ( -2.076 -5.560 1.817) 6.206 5.108 ( 0.652 17.284 -7.118) 18.704 5.185 ( 6.312 25.251 3.395) 26.249 6.130 ( 2.943 8.510 0.887) 9.048 6.219 ( 3.825 3.856 -2.024) 5.796 6.783 ( 7.143 20.656 6.087) 22.688 7.630 ( -7.894 -1.924 -3.537) 8.861 8.193 ( 0.734 3.902 -10.017) 10.775 8.601 ( 1.721 11.624 3.356) 12.220 9.135 ( 5.821 8.761 3.777) 11.176 9.621 ( 8.846 1.330 6.590) 11.111 11.364 ( 1.090 22.696 -5.993) 23.499 11.870 ( -5.482 -18.485 0.217) 19.282 13.690 ( -1.292 -12.289 0.276) 12.359 14.734 ( -2.373 -4.512 -14.729) 15.586 16.690 ( 2.452 -19.363 0.147) 19.518 18.116 ( -17.818 7.232 -0.034) 19.230 18.876 ( 15.213 13.848 -0.316) 20.574 19.253 ( -4.843 -18.859 7.788) 20.971 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 1.079 2.601 -2.061) 3.490 2.987 ( 11.794 23.275 -2.352) 26.198 3.217 ( 10.396 24.144 -1.279) 26.318 3.652 ( 13.167 12.420 -3.841) 18.504 4.497 ( -0.028 8.602 12.684) 15.325 4.773 ( -1.592 0.824 0.961) 2.034 5.295 ( 3.208 15.797 -1.775) 16.217 5.621 ( 10.190 26.905 5.564) 29.303 6.109 ( -1.508 -4.617 -4.044) 6.321 6.342 ( 4.759 3.110 -4.359) 7.163 7.242 ( 13.333 21.732 9.533) 27.220 7.444 ( -5.545 -9.285 0.097) 10.815 8.211 ( -1.338 10.001 -16.626) 19.448 8.806 ( 6.659 12.027 5.248) 14.715 9.357 ( 4.848 11.807 4.359) 13.487 9.781 ( 8.058 -2.817 5.387) 10.094 11.551 ( -2.662 -6.905 -1.440) 7.539 11.680 ( 1.848 16.485 -4.170) 17.105 13.525 ( -3.312 -12.685 0.582) 13.123 14.610 ( -3.533 -3.990 -9.860) 11.208 16.520 ( -0.735 -19.109 0.254) 19.125 17.868 ( -14.219 0.612 0.055) 14.232 18.971 ( -6.388 -15.251 5.097) 17.303 19.272 ( 11.640 13.088 -0.152) 17.516 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 2.072 1.998 0.418) 2.908 3.432 ( 14.869 18.396 -0.791) 23.667 3.592 ( 7.050 21.777 -6.547) 23.807 4.027 ( 13.422 14.624 -0.465) 19.856 4.349 ( -8.458 -10.851 2.854) 14.051 4.929 ( 4.317 11.661 3.958) 13.050 5.510 ( 4.184 11.735 5.910) 13.790 6.018 ( -1.677 1.544 -4.170) 4.753 6.080 ( 12.335 16.205 5.885) 21.199 6.431 ( 2.818 3.240 -3.857) 5.772 7.266 ( -3.189 -9.468 -6.722) 12.041 7.584 ( 7.329 6.644 2.542) 10.213 8.349 ( 3.480 18.111 -2.426) 18.601 9.066 ( 11.159 2.671 11.967) 16.579 9.496 ( -4.553 14.900 -3.494) 15.967 9.864 ( 5.149 -4.405 -0.996) 6.849 11.386 ( -2.396 -7.039 1.506) 7.587 12.030 ( 9.893 25.971 -4.909) 28.222 13.330 ( -3.873 -13.773 0.733) 14.326 14.499 ( -2.880 -2.857 -6.122) 7.344 16.264 ( -9.154 -15.213 0.407) 17.759 17.656 ( -5.076 -9.104 0.031) 10.423 18.724 ( -6.821 -11.913 3.065) 14.066 19.571 ( 7.427 12.943 0.005) 14.923 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 3.032 1.495 2.018) 3.937 3.812 ( 6.017 15.930 2.646) 17.233 3.879 ( 5.461 13.382 -6.253) 15.748 4.033 ( -4.997 -9.356 -0.734) 10.632 4.476 ( 11.479 19.669 -3.339) 23.017 5.105 ( 6.115 4.313 3.783) 8.384 5.643 ( -1.116 4.164 7.217) 8.407 5.999 ( 3.551 -2.092 -4.948) 6.440 6.480 ( 5.375 14.740 0.596) 15.700 6.486 ( 6.317 2.293 10.653) 12.595 7.125 ( -2.925 -1.808 -16.540) 16.894 7.722 ( 7.369 0.630 -5.023) 8.940 8.577 ( -2.784 17.690 11.560) 21.315 9.174 ( 3.927 -16.713 12.981) 21.524 9.615 ( 0.648 21.768 -5.449) 22.449 9.863 ( 1.715 -3.140 -6.735) 7.626 11.353 ( -1.753 5.812 0.570) 6.098 12.481 ( 13.428 23.204 -1.856) 26.874 13.127 ( -2.083 -16.064 -0.724) 16.215 14.438 ( -0.239 -1.159 -3.256) 3.465 15.911 ( -16.762 -9.526 0.518) 19.287 17.507 ( 3.802 -18.992 -0.087) 19.369 18.517 ( -5.580 -8.556 1.769) 10.367 19.789 ( 2.848 12.775 0.041) 13.088 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 4.516 0.827 2.655) 5.303 3.706 ( -8.256 -12.255 2.643) 15.011 4.001 ( -1.568 15.133 -1.208) 15.262 4.220 ( 6.067 15.226 -2.214) 16.539 4.821 ( 7.210 16.296 -8.887) 19.912 5.270 ( 10.208 -0.424 5.985) 11.841 5.617 ( -3.360 -0.526 3.873) 5.154 6.028 ( 1.629 -3.125 -0.970) 3.655 6.498 ( 1.654 -4.795 4.734) 6.938 6.774 ( 2.472 14.601 3.603) 15.241 7.096 ( 3.644 3.521 -10.410) 11.577 7.874 ( 10.660 2.103 -11.323) 15.693 8.565 ( -16.580 8.315 7.830) 20.134 9.081 ( 1.420 -8.408 5.799) 10.312 9.611 ( -6.177 -10.874 6.358) 14.029 10.088 ( 12.102 20.718 -4.227) 24.363 11.405 ( -6.121 16.160 -0.588) 17.290 12.897 ( 7.923 9.830 -3.966) 13.234 12.945 ( 5.354 -13.711 0.069) 14.720 14.469 ( 4.139 2.037 -1.156) 4.756 15.520 ( -19.926 -3.589 0.553) 20.254 17.402 ( 10.131 -26.070 -0.283) 27.970 18.370 ( -3.480 -5.638 1.027) 6.705 19.929 ( -1.286 12.552 0.020) 12.618 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 4.720 -0.800 2.869) 5.581 3.486 ( -3.676 -9.550 2.617) 10.562 4.078 ( -5.445 13.041 -1.297) 14.191 4.410 ( -2.865 17.075 0.777) 17.331 4.980 ( 2.043 4.220 -11.014) 11.971 5.470 ( 10.537 -1.416 4.474) 11.534 5.585 ( -1.194 1.713 5.308) 5.704 5.975 ( -1.979 -5.584 0.979) 6.004 6.439 ( -1.647 -7.496 -2.023) 7.937 6.909 ( -3.407 16.096 1.155) 16.493 7.248 ( 10.100 0.254 1.417) 10.202 8.041 ( 7.932 -0.568 -16.223) 18.067 8.311 ( -17.144 7.250 -2.553) 18.788 9.060 ( -2.237 -2.405 9.241) 9.807 9.392 ( -3.842 -11.952 5.836) 13.844 10.487 ( 8.502 18.284 6.350) 21.140 11.436 ( -10.951 19.861 -0.718) 22.691 12.752 ( 2.667 -18.592 -11.433) 21.988 13.190 ( 8.053 2.727 3.931) 9.366 14.601 ( 6.022 3.472 -0.147) 6.953 15.195 ( -15.887 4.644 0.545) 16.561 17.339 ( 14.752 -28.985 -0.471) 32.527 18.290 ( -0.797 -3.198 0.660) 3.362 19.997 ( -4.847 11.764 -0.004) 12.724 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -3.148 -6.150 2.657) 7.402 3.487 ( 9.417 -1.859 2.379) 9.889 4.069 ( -9.209 10.933 -1.118) 14.338 4.466 ( -9.903 16.018 1.968) 18.935 4.951 ( -3.707 -1.903 -11.377) 12.115 5.531 ( 1.494 -8.961 2.209) 9.349 5.624 ( -2.121 2.270 10.301) 10.759 5.914 ( 1.857 -2.054 -1.908) 3.363 6.325 ( -1.059 -6.745 -2.831) 7.391 6.958 ( -10.758 13.879 1.706) 17.642 7.417 ( 10.195 -3.158 4.192) 11.467 7.962 ( -4.636 -3.099 -14.066) 15.131 8.244 ( -3.930 9.569 -10.622) 14.827 8.927 ( -9.243 -6.333 12.867) 17.062 9.381 ( 8.085 -0.631 3.598) 8.872 10.690 ( -4.526 8.327 9.404) 13.351 11.433 ( -11.989 19.721 -0.769) 23.092 12.635 ( 8.039 -15.092 -11.796) 20.773 13.248 ( -2.168 -3.647 2.862) 5.117 14.622 ( -3.840 -3.102 0.042) 4.936 15.193 ( 3.778 16.020 0.544) 16.468 17.336 ( 17.544 -27.312 -0.502) 32.465 18.282 ( 2.255 -1.305 0.561) 2.665 19.997 ( -7.812 10.074 -0.009) 12.748 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( -3.537 -5.096 1.816) 6.464 3.697 ( 13.813 0.009 2.240) 13.994 3.965 ( -13.623 8.023 -0.847) 15.833 4.409 ( -12.697 11.807 1.541) 17.407 4.747 ( -14.538 -3.064 -11.170) 18.588 5.364 ( -8.112 -11.137 6.451) 15.213 5.602 ( -1.887 -2.514 6.048) 6.817 5.968 ( 3.591 1.482 -4.117) 5.661 6.286 ( 2.650 -4.247 1.481) 5.221 6.801 ( -17.374 5.299 1.264) 18.208 7.510 ( -0.889 2.111 -2.249) 3.211 7.889 ( 1.665 -3.452 -15.137) 15.615 8.261 ( 0.025 8.944 2.946) 9.417 8.739 ( -7.595 -6.134 9.735) 13.787 9.592 ( 10.618 5.677 1.098) 12.091 10.530 ( -16.978 -3.890 4.471) 17.982 11.385 ( -12.351 12.826 -0.865) 17.827 12.718 ( 13.720 -3.611 -4.594) 14.913 13.051 ( -14.088 -6.368 -0.570) 15.471 14.534 ( -0.778 -2.989 -0.550) 3.138 15.519 ( 13.067 15.105 0.555) 19.980 17.395 ( 17.451 -21.615 -0.340) 27.783 18.344 ( 5.506 -0.055 0.731) 5.555 19.928 ( -10.266 7.414 0.007) 12.663 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( -1.856 -2.233 0.830) 3.020 3.747 ( -18.379 4.184 -0.062) 18.849 3.930 ( 9.929 0.092 1.756) 10.084 4.289 ( -8.621 1.837 -4.453) 9.875 4.356 ( -25.068 1.998 -3.949) 25.456 5.102 ( -12.015 -8.147 5.266) 15.442 5.534 ( -4.064 -3.176 4.632) 6.932 6.035 ( 3.118 2.480 -3.713) 5.446 6.261 ( -6.501 -3.355 4.672) 8.680 6.555 ( -10.203 0.514 -0.344) 10.221 7.450 ( -6.648 5.365 -9.098) 12.480 7.771 ( -8.665 -3.549 -6.026) 11.135 8.505 ( 9.923 12.897 13.458) 21.117 8.581 ( -2.518 -9.332 1.290) 9.751 9.804 ( 4.643 7.504 -0.713) 8.853 10.091 ( -24.503 -10.211 -1.188) 26.572 11.306 ( -4.874 4.970 -0.013) 6.961 12.614 ( -24.626 -3.456 0.095) 24.868 13.018 ( 17.007 0.656 -2.432) 17.192 14.542 ( 4.222 -1.602 -2.187) 5.017 15.906 ( 16.633 9.120 0.479) 18.975 17.502 ( 14.564 -12.399 -0.112) 19.128 18.473 ( 8.809 0.443 1.294) 8.914 19.788 ( -12.476 3.943 0.029) 13.084 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -0.000 19.727 7.104) 20.967 2.883 ( 0.000 22.838 1.151) 22.867 2.900 ( 0.000 13.001 -10.102) 16.464 3.370 ( 0.000 10.439 -7.492) 12.849 4.459 ( -0.000 24.369 15.236) 28.740 4.844 ( -0.000 -6.240 1.394) 6.393 5.278 ( 0.000 17.824 -6.675) 19.033 5.399 ( 0.000 29.579 -0.211) 29.580 6.160 ( 0.000 -0.135 -0.773) 0.784 6.195 ( -0.000 0.787 1.939) 2.092 6.996 ( -0.000 27.635 8.501) 28.913 7.681 ( 0.000 -6.057 -1.384) 6.213 8.170 ( 0.000 -0.249 -1.972) 1.987 8.673 ( 0.000 12.075 -18.241) 21.875 9.158 ( 0.000 8.304 0.730) 8.336 9.653 ( -0.000 9.711 21.051) 23.183 11.574 ( 0.000 23.781 -7.689) 24.993 11.722 ( -0.000 -19.910 0.112) 19.910 13.575 ( -0.000 -12.690 1.231) 12.749 14.682 ( 0.000 -3.907 -12.381) 12.982 16.457 ( -0.000 -21.433 0.091) 21.433 18.443 ( 0.000 9.254 0.028) 9.254 18.787 ( 0.000 9.663 -0.116) 9.663 19.122 ( -0.000 -17.664 6.029) 18.665 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -0.537 4.714 -2.262) 5.256 3.087 ( 3.084 19.714 2.368) 20.094 3.293 ( 8.614 27.329 -3.753) 28.899 3.548 ( 9.923 10.504 -3.562) 14.882 4.575 ( -3.354 -6.773 7.338) 10.534 4.883 ( -0.166 17.929 3.909) 18.351 5.435 ( -0.162 16.605 -2.909) 16.859 5.744 ( 5.640 26.165 0.261) 26.767 6.113 ( -2.089 -1.736 0.024) 2.716 6.270 ( 5.297 2.351 -1.224) 5.923 7.295 ( 4.921 13.376 5.819) 15.395 7.502 ( -8.878 -5.236 3.643) 10.932 8.234 ( 5.849 3.381 -6.954) 9.695 8.774 ( 2.884 8.989 -10.206) 13.903 9.344 ( 9.670 10.771 -3.093) 14.802 9.802 ( -1.560 10.737 19.631) 22.430 11.487 ( -3.533 -16.982 -0.195) 17.346 11.830 ( 3.202 24.177 -7.616) 25.550 13.439 ( -1.545 -12.975 2.180) 13.247 14.605 ( -2.155 -2.795 -9.298) 9.945 16.266 ( 3.103 -22.471 0.059) 22.684 18.253 ( -22.431 6.160 0.046) 23.262 18.904 ( -2.014 -14.419 4.158) 15.142 19.133 ( 15.938 7.946 0.156) 17.810 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -0.136 4.868 0.623) 4.909 3.387 ( 10.041 16.410 0.503) 19.244 3.667 ( 7.758 20.805 -7.482) 23.431 3.907 ( 15.898 14.526 1.671) 21.600 4.366 ( -7.313 -13.776 1.644) 15.683 5.072 ( -1.674 17.452 2.577) 17.720 5.602 ( 1.821 13.552 3.966) 14.237 5.943 ( 0.486 -2.946 -3.996) 4.988 6.209 ( 3.986 21.834 7.079) 23.296 6.397 ( 5.121 4.771 -4.269) 8.198 7.203 ( -3.936 -11.995 -4.131) 13.283 7.577 ( 2.956 7.931 2.739) 8.896 8.415 ( 8.519 11.868 -4.142) 15.185 8.887 ( 6.298 -3.394 8.090) 10.800 9.620 ( 8.984 9.989 -7.759) 15.514 9.879 ( -6.012 12.156 7.880) 15.685 11.309 ( 0.602 -10.862 0.956) 10.920 12.151 ( 6.326 26.519 -6.603) 28.051 13.263 ( -3.983 -13.926 3.048) 14.802 14.517 ( -3.208 -1.581 -6.158) 7.121 16.100 ( 3.115 -22.322 0.112) 22.538 17.888 ( -22.819 0.977 0.124) 22.840 18.707 ( -4.640 -12.385 2.772) 13.513 19.493 ( 14.120 8.917 0.027) 16.700 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 0.255 4.233 2.039) 4.706 3.749 ( 13.888 13.024 0.191) 19.041 3.938 ( 3.153 8.728 -3.559) 9.939 4.069 ( -6.782 -3.107 -3.191) 8.114 4.387 ( 17.204 13.416 1.799) 21.891 5.172 ( -3.462 11.300 -0.059) 11.819 5.748 ( -1.951 7.280 9.622) 12.223 5.891 ( 3.350 -4.218 -6.838) 8.705 6.476 ( 0.256 2.284 5.344) 5.817 6.538 ( 6.725 17.069 4.814) 18.967 7.086 ( 1.148 -1.352 -15.591) 15.691 7.646 ( 1.524 1.038 -1.538) 2.401 8.724 ( 10.190 13.149 4.513) 17.237 8.931 ( 4.745 -13.794 16.790) 22.241 9.740 ( 1.036 -3.277 -2.955) 4.532 9.926 ( -5.555 22.338 -10.454) 25.281 11.331 ( 7.633 0.529 1.472) 7.792 12.534 ( 8.269 25.227 -4.408) 26.911 13.037 ( -5.568 -15.580 3.220) 16.856 14.446 ( -2.260 -0.072 -3.490) 4.159 15.918 ( -0.335 -18.976 0.223) 18.980 17.502 ( -18.094 -6.491 0.099) 19.223 18.522 ( -4.684 -9.100 1.590) 10.357 19.789 ( 9.636 8.836 0.039) 13.074 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 1.128 3.132 2.249) 4.018 3.731 ( -8.774 -13.118 1.265) 15.833 4.102 ( 10.622 10.699 1.433) 15.144 4.217 ( 4.604 16.888 -7.377) 18.995 4.818 ( 14.774 13.851 0.193) 20.253 5.189 ( -2.791 3.789 -0.207) 4.711 5.706 ( -4.838 0.160 3.582) 6.021 5.955 ( 3.786 -0.783 -0.987) 3.990 6.455 ( -0.879 -4.764 6.699) 8.266 6.836 ( 7.712 14.828 2.936) 16.970 7.094 ( -0.649 5.292 -14.022) 15.001 7.718 ( 6.875 1.974 -3.981) 8.186 8.828 ( -3.193 -15.404 11.321) 19.382 8.975 ( 2.756 9.437 8.974) 13.312 9.614 ( -5.351 -10.953 -1.421) 12.273 10.140 ( 5.671 25.821 -10.193) 28.334 11.544 ( 7.583 11.483 0.069) 13.761 12.763 ( -2.805 -16.885 2.328) 17.274 12.892 ( 4.702 14.533 -2.606) 15.495 14.444 ( 1.432 3.254 -1.445) 3.838 15.716 ( -5.991 -9.786 0.302) 11.479 17.145 ( -9.259 -16.633 -0.069) 19.037 18.375 ( -3.633 -6.134 0.842) 7.179 20.004 ( 4.989 8.631 0.024) 9.969 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 2.673 1.878 2.064) 3.864 3.476 ( -6.379 -10.983 1.411) 12.779 4.280 ( -1.959 12.557 -0.732) 12.730 4.495 ( 9.604 12.633 -2.463) 16.059 5.058 ( -5.853 9.969 -5.575) 12.834 5.238 ( 12.894 -4.046 3.348) 13.922 5.663 ( -2.305 3.282 3.246) 5.160 5.951 ( -0.908 -4.388 0.527) 4.512 6.399 ( -1.040 -5.453 1.211) 5.682 7.088 ( 0.374 11.910 -0.948) 11.954 7.125 ( 5.867 5.502 -1.139) 8.124 7.873 ( 8.002 1.298 -7.970) 11.368 8.598 ( -10.892 -4.437 0.866) 11.793 9.069 ( 0.408 0.893 10.029) 10.076 9.375 ( -7.076 -12.153 0.885) 14.091 10.552 ( 10.676 26.344 -1.640) 28.472 11.737 ( -1.881 13.415 -1.243) 13.603 12.541 ( -1.242 -15.641 -2.831) 15.943 13.053 ( 5.503 -1.387 0.929) 5.751 14.551 ( 4.656 5.554 -0.304) 7.254 15.537 ( -11.966 6.311 0.320) 13.532 16.868 ( 3.291 -26.749 -0.333) 26.952 18.280 ( -1.803 -3.646 0.458) 4.093 20.134 ( 0.518 7.851 0.009) 7.868 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( -1.225 -1.855 2.145) 3.089 3.343 ( 3.121 -5.199 1.204) 6.182 4.318 ( -6.699 10.702 -0.768) 12.649 4.738 ( 1.786 14.204 0.964) 14.348 4.952 ( -6.298 -1.601 -7.064) 9.599 5.385 ( 6.311 -6.025 1.514) 8.856 5.702 ( -0.477 3.794 5.116) 6.387 5.874 ( -0.907 -4.020 -0.244) 4.128 6.309 ( -3.217 -3.861 -1.588) 5.271 7.191 ( 8.196 -0.337 2.707) 8.638 7.282 ( -4.926 14.489 -0.186) 15.305 7.897 ( 1.179 -7.317 -8.414) 11.213 8.453 ( -7.556 8.779 -7.271) 13.676 9.010 ( -6.518 -8.551 11.720) 15.904 9.252 ( 4.815 -3.704 2.863) 6.716 10.909 ( -2.031 20.890 3.866) 21.342 11.754 ( -3.244 6.472 -2.732) 7.738 12.395 ( -2.407 -6.565 -6.202) 9.346 13.111 ( 8.910 -10.850 2.383) 14.241 14.640 ( 0.368 0.266 -0.001) 0.454 15.458 ( -11.599 19.999 0.331) 23.122 16.755 ( 16.265 -28.203 -0.482) 32.561 18.243 ( 0.563 -1.740 0.344) 1.861 20.178 ( -3.569 6.154 0.002) 7.114 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -4.285 -3.184 2.041) 5.715 3.467 ( 11.774 -1.114 0.976) 11.866 4.255 ( -10.750 6.687 -0.242) 12.663 4.723 ( -12.988 3.300 -2.660) 13.662 4.893 ( -3.254 6.440 -3.853) 8.179 5.342 ( -1.529 -9.801 1.197) 9.991 5.654 ( -4.868 -2.612 5.362) 7.699 5.911 ( 4.454 1.750 -1.905) 5.151 6.243 ( -0.789 -0.855 1.679) 2.043 7.168 ( -17.918 4.313 -0.451) 18.435 7.362 ( 11.656 -2.665 -2.704) 12.259 7.867 ( 0.918 2.442 -5.599) 6.177 8.402 ( -6.693 8.178 -4.214) 11.377 8.827 ( -6.655 -8.685 13.613) 17.466 9.415 ( 13.112 0.759 0.650) 13.150 10.822 ( -18.506 1.197 -0.519) 18.552 11.755 ( -11.940 10.437 -1.101) 15.897 12.388 ( 13.286 -3.368 -2.808) 13.991 13.127 ( 0.649 -6.735 0.492) 6.784 14.572 ( -5.411 -1.439 -0.368) 5.611 15.534 ( 0.248 13.218 0.341) 13.225 16.867 ( 21.428 -15.787 -0.318) 26.617 18.266 ( 3.269 -0.524 0.458) 3.342 20.134 ( -7.086 3.479 0.009) 7.894 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -3.085 -0.477 1.753) 3.580 3.693 ( 14.560 -1.054 0.971) 14.630 4.071 ( -14.983 1.122 0.764) 15.044 4.467 ( -13.875 -4.418 -8.444) 16.832 4.798 ( -17.632 10.445 1.470) 20.546 5.186 ( -5.803 -7.008 0.459) 9.110 5.576 ( -2.362 -2.040 4.235) 5.260 5.997 ( 3.475 2.088 -1.636) 4.372 6.268 ( 1.819 1.049 4.889) 5.321 6.836 ( -19.762 -1.413 -1.093) 19.843 7.470 ( 5.296 -4.161 -11.382) 13.226 7.882 ( -6.159 9.624 -6.197) 12.998 8.432 ( 3.228 0.545 12.938) 13.345 8.677 ( -5.451 -1.216 9.702) 11.194 9.662 ( 13.510 -0.785 -1.280) 13.593 10.414 ( -22.507 -5.677 -6.795) 24.186 11.537 ( -15.752 0.991 0.403) 15.788 12.715 ( 18.948 3.912 0.904) 19.369 12.953 ( -15.300 -1.119 -1.390) 15.403 14.495 ( -1.122 -0.360 -1.561) 1.956 15.705 ( 11.291 -0.302 0.325) 11.300 17.147 ( 18.912 0.309 -0.045) 18.915 18.346 ( 6.160 -0.087 0.854) 6.220 20.003 ( -9.993 0.005 0.025) 9.993 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 0.000 6.634 -1.112) 6.726 3.236 ( -0.000 14.011 3.355) 14.407 3.501 ( 0.000 29.840 -3.846) 30.087 3.539 ( 0.000 8.535 -3.293) 9.148 4.511 ( -0.000 -13.290 3.123) 13.652 5.107 ( -0.000 21.734 4.148) 22.127 5.583 ( 0.000 13.303 -3.080) 13.655 5.981 ( 0.000 28.709 -3.399) 28.910 6.107 ( -0.000 -1.949 0.226) 1.962 6.244 ( -0.000 2.941 3.746) 4.762 7.307 ( -0.000 -7.444 2.906) 7.991 7.599 ( -0.000 4.466 4.166) 6.107 8.119 ( 0.000 -4.296 -1.262) 4.478 8.885 ( 0.000 16.734 -13.393) 21.434 9.334 ( 0.000 8.698 0.372) 8.706 10.004 ( -0.000 15.263 15.955) 22.080 11.333 ( -0.000 -18.562 0.165) 18.562 12.024 ( 0.000 24.511 -9.427) 26.262 13.335 ( -0.000 -12.159 4.383) 12.925 14.586 ( 0.000 -1.025 -7.914) 7.980 16.010 ( -0.000 -22.634 -0.119) 22.634 18.616 ( 0.000 7.866 0.026) 7.866 18.781 ( -0.000 -12.061 2.826) 12.387 18.970 ( -0.000 2.640 0.604) 2.708 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -1.337 7.473 0.447) 7.605 3.409 ( 4.613 12.120 1.918) 13.109 3.677 ( 7.113 9.854 -4.602) 12.995 3.864 ( 9.320 23.263 -0.200) 25.062 4.335 ( -4.639 -13.756 0.564) 14.528 5.297 ( -2.291 17.713 0.992) 17.888 5.695 ( 1.177 8.747 -1.222) 8.910 6.000 ( -7.154 2.604 -0.018) 7.613 6.333 ( 6.630 5.462 -3.470) 9.265 6.357 ( 5.285 21.660 6.411) 23.199 7.140 ( -4.084 -14.371 -1.674) 15.034 7.640 ( -1.227 5.687 2.142) 6.200 8.207 ( 14.144 -5.408 -0.588) 15.154 8.954 ( -5.964 10.290 2.087) 12.075 9.522 ( 9.241 8.022 -1.749) 12.362 10.150 ( -4.281 16.857 4.053) 17.858 11.165 ( 1.363 -14.407 0.248) 14.474 12.290 ( 4.906 24.428 -8.731) 26.401 13.204 ( -2.871 -11.912 6.571) 13.903 14.548 ( -2.290 0.577 -5.803) 6.265 15.810 ( 2.817 -22.527 -0.205) 22.704 18.355 ( -25.879 3.876 0.098) 26.168 18.652 ( -2.246 -11.405 2.246) 11.839 19.269 ( 19.406 5.087 0.134) 20.062 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( -1.874 7.021 1.241) 7.372 3.651 ( 10.186 9.828 1.058) 14.194 3.907 ( 6.734 4.075 -2.970) 8.413 4.109 ( -1.644 -8.436 -2.265) 8.888 4.272 ( 10.780 19.233 1.599) 22.106 5.381 ( -5.258 12.939 -1.834) 14.087 5.785 ( 3.064 0.357 -4.911) 5.799 5.910 ( -6.425 4.518 6.911) 10.462 6.488 ( 4.363 5.148 -1.705) 6.961 6.613 ( 1.523 8.583 11.659) 14.557 7.020 ( 3.026 2.809 -13.268) 13.896 7.662 ( -1.168 1.903 0.664) 2.329 8.429 ( 17.915 -10.764 2.868) 21.096 8.951 ( -2.725 5.831 10.000) 11.892 9.687 ( 2.655 -0.087 1.615) 3.109 10.232 ( -5.914 20.427 -10.818) 23.859 11.150 ( 9.436 -5.499 0.804) 10.951 12.632 ( 7.825 22.703 -6.918) 24.990 13.020 ( -6.394 -11.388 8.317) 15.484 14.498 ( -3.358 1.969 -3.594) 5.298 15.649 ( 4.387 -22.119 -0.160) 22.551 17.900 ( -28.158 0.048 0.217) 28.158 18.506 ( -3.315 -8.564 1.291) 9.273 19.635 ( 16.183 5.315 0.068) 17.033 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( -1.918 5.707 0.986) 6.101 3.752 ( -8.236 -12.701 -0.030) 15.138 3.953 ( 13.941 7.217 0.726) 15.715 4.278 ( 8.622 12.837 -5.732) 16.491 4.648 ( 14.019 10.122 3.967) 17.740 5.375 ( -7.698 9.426 -2.607) 12.446 5.753 ( -1.265 -2.637 -5.217) 5.981 5.930 ( -0.383 3.228 6.412) 7.189 6.464 ( -4.128 -5.101 6.426) 9.184 6.808 ( 10.409 8.507 0.681) 13.461 7.150 ( 0.501 12.138 -12.938) 17.748 7.673 ( 1.156 2.857 2.574) 4.015 8.541 ( 11.137 -19.345 8.447) 23.866 9.073 ( 4.413 8.312 5.751) 11.029 9.606 ( -6.136 -8.182 2.016) 10.424 10.342 ( -1.973 23.259 -14.761) 27.618 11.384 ( 17.375 3.034 0.703) 17.652 12.719 ( -7.843 -13.021 5.472) 16.156 13.001 ( 2.482 17.398 -2.089) 17.698 14.478 ( -1.200 4.685 -1.674) 5.118 15.531 ( 6.549 -18.967 -0.072) 20.066 17.393 ( -27.549 -4.467 0.238) 27.909 18.377 ( -3.311 -5.734 0.595) 6.648 19.929 ( 11.535 5.149 0.032) 12.633 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( -0.893 4.100 0.537) 4.230 3.492 ( -7.611 -10.506 0.017) 12.974 4.260 ( 13.301 4.829 0.751) 14.170 4.513 ( 3.631 14.722 -4.048) 15.694 4.959 ( 14.848 -1.354 4.265) 15.507 5.299 ( -9.633 7.928 -2.845) 12.796 5.720 ( -0.905 1.753 -2.195) 2.952 5.932 ( -1.114 -2.667 2.503) 3.824 6.370 ( -1.388 -5.198 3.628) 6.489 7.105 ( 10.035 11.415 -2.189) 15.356 7.160 ( -3.231 4.886 -4.597) 7.446 7.781 ( 4.322 3.931 1.036) 5.934 8.527 ( 6.371 -14.662 6.823) 17.381 9.165 ( -3.699 4.068 2.075) 5.877 9.387 ( -7.197 -9.693 -1.045) 12.118 10.621 ( 9.771 24.880 -7.616) 27.794 11.723 ( 12.721 3.881 -0.066) 13.300 12.450 ( -4.896 -12.742 5.244) 14.623 13.090 ( -6.748 5.369 -2.200) 8.900 14.552 ( 2.240 6.850 -0.431) 7.220 15.541 ( 11.191 -7.081 -0.058) 13.243 16.863 ( -24.503 -10.764 0.145) 26.763 18.282 ( -2.433 -3.277 0.210) 4.087 20.134 ( 6.546 4.374 0.010) 7.873 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 0.895 3.101 0.473) 3.262 3.291 ( -4.617 -7.611 0.170) 8.903 4.458 ( 2.638 4.357 0.150) 5.096 4.711 ( 6.471 10.084 -1.452) 12.069 5.074 ( -0.265 -5.259 0.553) 5.295 5.260 ( 0.275 3.909 -0.400) 3.939 5.742 ( 0.351 3.593 -0.059) 3.611 5.859 ( -2.498 -5.195 0.910) 5.836 6.320 ( -0.971 -2.428 0.184) 2.622 7.101 ( -0.696 -0.406 -0.175) 0.824 7.444 ( 8.899 16.661 -0.766) 18.904 7.798 ( -1.889 -7.708 -0.901) 7.987 8.537 ( 3.166 -0.547 0.588) 3.267 9.081 ( -5.935 -3.180 1.722) 6.950 9.187 ( -4.895 -5.846 0.153) 7.627 11.103 ( 13.682 27.561 -1.016) 30.787 11.683 ( -7.059 -17.065 -0.450) 18.473 12.507 ( 8.328 10.538 0.586) 13.445 12.896 ( -8.430 -11.642 -0.263) 14.376 14.634 ( 1.224 2.151 -0.033) 2.475 15.788 ( 9.265 16.525 0.077) 18.945 16.354 ( -12.683 -22.560 -0.103) 25.881 18.230 ( -0.897 -1.374 0.080) 1.643 20.240 ( 1.545 2.678 0.002) 3.091 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( -5.122 -1.030 1.211) 5.363 3.287 ( 7.444 -0.789 -0.204) 7.488 4.445 ( -6.154 0.306 0.403) 6.174 4.854 ( -2.264 -0.713 -5.760) 6.230 5.000 ( -1.076 5.462 3.889) 6.791 5.282 ( 0.406 -2.296 -0.487) 2.382 5.724 ( -5.500 -2.827 1.730) 6.421 5.833 ( 4.708 0.071 -1.025) 4.819 6.287 ( -2.005 1.397 1.414) 2.823 7.140 ( 6.469 -1.752 -1.749) 6.926 7.507 ( -16.055 -2.536 -2.022) 16.379 7.805 ( 10.800 7.730 1.807) 13.404 8.583 ( -3.208 6.684 -5.460) 9.208 8.881 ( -8.732 -8.568 8.765) 15.050 9.194 ( 9.064 -2.792 -0.458) 9.495 11.178 ( -22.011 -4.134 -1.975) 22.483 11.711 ( 20.097 4.991 -0.612) 20.717 12.468 ( -17.775 3.155 0.931) 18.077 12.914 ( 16.052 -2.411 -0.418) 16.237 14.637 ( -2.041 -0.031 -0.080) 2.043 15.782 ( -18.822 -0.445 0.139) 18.828 16.361 ( 25.776 0.561 -0.169) 25.783 18.225 ( 1.098 -0.170 0.145) 1.120 20.240 ( -3.107 -0.002 0.004) 3.107 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -3.962 1.534 1.462) 4.493 3.450 ( 11.815 -0.666 0.058) 11.834 4.272 ( -10.370 -5.663 0.885) 11.848 4.635 ( -13.055 -6.076 -6.149) 15.658 5.095 ( -0.291 5.306 7.105) 8.873 5.230 ( -7.428 3.792 -6.145) 10.360 5.595 ( -3.475 -4.305 1.139) 5.649 5.931 ( 5.556 0.567 0.219) 5.589 6.298 ( -0.686 4.324 4.776) 6.479 7.139 ( -18.142 -7.105 -2.156) 19.603 7.258 ( 9.090 -1.759 -7.304) 11.793 8.057 ( 2.684 14.044 0.958) 14.330 8.486 ( -9.147 -0.996 0.594) 9.221 8.742 ( -1.645 -3.696 11.776) 12.451 9.378 ( 14.279 -3.705 -1.440) 14.822 10.709 ( -20.720 -9.168 -7.416) 23.840 11.765 ( -12.439 -9.401 -0.484) 15.600 12.510 ( 13.277 13.483 4.538) 19.459 13.081 ( 0.612 3.142 -2.384) 3.991 14.567 ( -5.784 1.171 -0.665) 5.938 15.530 ( 0.271 -13.591 0.092) 13.594 16.873 ( 21.384 16.298 0.042) 26.887 18.265 ( 3.403 0.244 0.415) 3.437 20.134 ( -7.079 -3.472 0.015) 7.884 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 0.000 8.979 0.438) 8.990 3.475 ( 0.000 9.179 0.588) 9.198 3.675 ( 0.000 5.808 -0.575) 5.836 4.002 ( 0.000 16.270 -0.782) 16.289 4.260 ( -0.000 -6.919 -0.666) 6.951 5.481 ( 0.000 14.257 -1.465) 14.332 5.744 ( 0.000 4.191 -2.887) 5.089 6.128 ( -0.000 2.595 3.863) 4.653 6.303 ( 0.000 5.098 -2.480) 5.669 6.542 ( 0.000 24.626 2.403) 24.743 7.026 ( -0.000 -15.215 0.261) 15.217 7.711 ( -0.000 3.222 2.246) 3.927 7.984 ( -0.000 -8.765 -0.667) 8.790 9.156 ( -0.000 9.723 5.892) 11.370 9.498 ( 0.000 7.299 0.104) 7.300 10.355 ( 0.000 16.479 -3.921) 16.940 10.996 ( -0.000 -14.709 0.178) 14.710 12.452 ( 0.000 21.643 -9.738) 23.733 13.143 ( -0.000 -9.694 10.394) 14.213 14.574 ( 0.000 2.506 -4.669) 5.299 15.569 ( -0.000 -20.731 -0.472) 20.736 18.566 ( -0.000 -9.395 1.436) 9.504 18.753 ( 0.000 5.668 0.014) 5.668 19.011 ( -0.000 0.652 0.382) 0.756 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( -2.421 9.003 0.284) 9.327 3.603 ( 5.247 6.915 0.585) 8.700 3.803 ( 7.948 4.344 -1.235) 9.141 4.009 ( -0.665 -11.755 -0.618) 11.790 4.352 ( 3.959 17.588 0.609) 18.038 5.568 ( -3.028 10.001 -3.625) 11.061 5.761 ( -0.478 0.924 -3.876) 4.013 6.087 ( -6.611 3.487 4.977) 8.980 6.422 ( 7.256 4.495 -1.032) 8.598 6.720 ( -6.007 1.263 7.499) 9.691 6.971 ( 7.383 9.541 -7.500) 14.205 7.714 ( -1.940 1.815 3.517) 4.408 8.028 ( 13.967 -11.684 0.883) 18.231 9.131 ( -8.993 3.864 8.141) 12.731 9.639 ( 5.218 3.190 2.131) 6.477 10.469 ( -3.033 16.435 -12.779) 21.038 10.927 ( 7.125 -9.069 -0.113) 11.534 12.686 ( 5.970 16.780 -8.460) 19.717 13.050 ( -3.863 -6.358 13.118) 15.080 14.574 ( -2.466 3.815 -3.113) 5.507 15.384 ( 1.603 -19.180 -0.567) 19.255 18.408 ( -27.217 1.374 0.014) 27.252 18.475 ( -2.945 -6.824 0.986) 7.498 19.343 ( 21.569 2.460 0.143) 21.709 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( -3.724 7.565 -0.549) 8.450 3.754 ( -4.919 -10.110 -1.022) 11.289 3.802 ( 9.039 3.397 0.753) 9.685 4.115 ( 15.685 4.112 -2.351) 16.385 4.614 ( 6.459 12.497 3.697) 14.546 5.577 ( -5.453 8.084 -3.116) 10.237 5.727 ( -1.015 -1.153 -6.530) 6.709 6.026 ( -4.860 1.723 5.575) 7.594 6.523 ( -6.527 -4.175 4.834) 9.133 6.661 ( 11.179 1.955 -0.603) 11.365 7.241 ( 4.172 16.757 -8.349) 19.181 7.719 ( -0.924 3.235 6.897) 7.673 8.149 ( 14.036 -16.574 3.962) 22.077 9.075 ( -0.243 2.152 4.260) 4.779 9.650 ( -4.280 -4.367 2.902) 6.768 10.558 ( -2.237 17.726 -16.642) 24.416 11.078 ( 16.695 -2.495 0.212) 16.881 12.768 ( -6.497 -6.483 6.683) 11.354 13.089 ( 5.167 13.011 0.782) 14.022 14.566 ( -2.739 5.790 -1.644) 6.612 15.239 ( 3.652 -17.734 -0.416) 18.110 17.895 ( -31.176 -0.475 0.280) 31.181 18.378 ( -2.533 -4.520 0.240) 5.187 19.712 ( 17.667 2.454 0.057) 17.837 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( -3.776 4.631 -1.355) 6.127 3.529 ( -7.561 -8.047 -1.179) 11.105 4.050 ( 13.959 2.248 0.989) 14.173 4.450 ( 16.533 5.969 -2.932) 17.820 4.802 ( 4.451 2.876 6.142) 8.112 5.516 ( -8.273 5.126 -1.650) 9.871 5.722 ( 1.509 2.494 -6.753) 7.355 5.958 ( -3.945 -2.756 3.237) 5.799 6.372 ( -4.386 -5.392 3.889) 7.965 6.945 ( 15.883 5.432 -2.095) 16.917 7.318 ( -7.163 7.766 -4.876) 11.636 7.796 ( 1.124 5.239 7.168) 8.949 8.218 ( 12.656 -13.988 5.755) 19.722 9.167 ( 5.627 0.750 -1.829) 5.964 9.459 ( -9.945 -6.187 -0.560) 11.726 10.692 ( 3.097 15.892 -11.449) 19.830 11.422 ( 22.107 0.324 0.562) 22.117 12.521 ( -12.768 -8.474 9.558) 18.060 13.254 ( -1.910 7.576 -2.259) 8.134 14.605 ( -0.287 6.700 -0.487) 6.724 15.204 ( 11.646 -11.414 -0.255) 16.309 17.330 ( -32.487 -1.756 0.333) 32.536 18.299 ( -2.584 -2.155 -0.119) 3.366 19.997 ( 12.635 1.686 0.015) 12.747 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -1.724 -1.371 -1.775) 2.829 3.355 ( -7.007 -0.064 -0.567) 7.031 4.309 ( 13.394 -0.164 0.563) 13.407 4.755 ( 6.989 10.235 -1.640) 12.502 4.867 ( 7.903 -8.544 5.445) 12.849 5.402 ( -8.347 1.584 -1.016) 8.557 5.769 ( 0.452 3.685 -4.617) 5.925 5.858 ( -2.819 -4.729 2.047) 5.874 6.295 ( -0.187 -3.009 0.501) 3.056 7.210 ( -8.762 4.132 -0.260) 9.691 7.287 ( 17.319 2.951 -0.654) 17.581 7.815 ( -2.463 -1.522 3.889) 4.848 8.371 ( 12.321 -3.028 4.697) 13.529 9.134 ( -6.123 -6.100 -6.624) 10.889 9.285 ( -6.045 1.615 -1.863) 6.529 10.961 ( 15.690 6.670 -3.361) 17.377 11.718 ( 4.750 0.058 2.462) 5.350 12.322 ( 1.812 -3.786 4.230) 5.959 13.137 ( -14.649 1.408 -1.419) 14.785 14.640 ( 0.028 0.306 0.004) 0.307 15.462 ( 23.075 -0.026 -0.232) 23.076 16.750 ( -32.497 -0.009 0.328) 32.499 18.247 ( -1.954 -0.270 -0.238) 1.987 20.178 ( 7.117 -0.010 -0.002) 7.117 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 1.138 -4.839 -1.461) 5.182 3.286 ( -4.662 6.208 0.090) 7.764 4.448 ( 3.308 -4.978 -0.492) 5.997 4.816 ( 2.685 -4.273 5.698) 7.612 5.024 ( 4.910 3.797 -3.330) 7.044 5.278 ( -2.633 -1.816 0.655) 3.265 5.735 ( -0.873 -6.597 -1.456) 6.812 5.828 ( -1.889 4.660 0.345) 5.040 6.297 ( 1.867 0.025 -1.525) 2.411 7.128 ( -4.267 3.353 1.852) 5.734 7.492 ( 5.971 -15.601 2.326) 16.866 7.815 ( 2.219 13.832 -1.114) 14.054 8.552 ( 8.562 -0.555 3.707) 9.347 8.939 ( -5.662 -8.722 -8.483) 13.420 9.190 ( -7.683 5.953 0.484) 9.731 11.163 ( 7.298 -23.113 2.562) 24.373 11.707 ( -4.354 20.266 0.856) 20.746 12.475 ( 12.102 -12.511 -1.254) 17.452 12.910 ( -10.645 11.998 0.561) 16.050 14.636 ( 1.033 -1.869 0.098) 2.137 15.783 ( 8.917 -16.607 -0.183) 18.850 16.359 ( -12.267 22.705 0.227) 25.808 18.226 ( -0.794 0.933 -0.190) 1.240 20.240 ( 1.550 -2.689 -0.005) 3.104 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( -0.053 -0.091 -0.000) 0.105 3.317 ( 2.426 4.202 0.000) 4.852 4.331 ( -5.872 -10.170 -0.000) 11.743 4.727 ( -6.989 -12.105 0.000) 13.978 5.084 ( 2.797 4.844 -0.000) 5.594 5.347 ( 3.492 6.049 0.000) 6.985 5.620 ( -4.263 -7.384 0.000) 8.526 5.862 ( 1.703 2.950 0.000) 3.406 6.346 ( 1.911 3.309 -0.000) 3.821 7.130 ( -0.352 -0.610 -0.000) 0.704 7.291 ( -6.378 -11.048 0.000) 12.757 8.084 ( 7.933 13.741 -0.000) 15.867 8.670 ( 1.764 3.055 0.000) 3.527 8.687 ( -7.518 -13.021 -0.000) 15.035 9.197 ( 2.293 3.972 -0.000) 4.587 10.852 ( -11.367 -19.689 0.000) 22.735 11.795 ( -5.169 -8.953 -0.000) 10.338 12.504 ( 6.505 11.266 -0.000) 13.009 13.064 ( 5.943 10.294 -0.000) 11.887 14.640 ( -0.034 -0.058 -0.000) 0.067 15.453 ( -11.595 -20.083 -0.000) 23.190 16.764 ( 16.326 28.277 0.000) 32.652 18.237 ( 0.773 1.339 -0.000) 1.546 20.178 ( -3.555 -6.158 -0.000) 7.110 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( 0.000 9.689 -0.494) 9.702 3.614 ( 0.000 4.660 -0.653) 4.705 3.763 ( -0.000 2.879 0.490) 2.920 3.893 ( 0.000 -12.377 -1.529) 12.471 4.476 ( -0.000 13.624 2.382) 13.831 5.658 ( 0.000 5.372 -5.613) 7.769 5.782 ( 0.000 2.000 -1.474) 2.484 6.182 ( -0.000 0.200 2.311) 2.320 6.379 ( 0.000 3.119 -0.505) 3.160 6.793 ( -0.000 -7.396 0.615) 7.421 7.013 ( 0.000 20.947 0.718) 20.960 7.766 ( -0.000 -12.489 -0.555) 12.502 7.775 ( -0.000 1.811 7.106) 7.333 9.276 ( -0.000 -1.037 8.110) 8.176 9.616 ( 0.000 4.188 0.070) 4.189 10.613 ( 0.000 13.373 -16.708) 21.401 10.762 ( -0.000 -8.356 0.085) 8.356 12.750 ( 0.000 10.176 -7.188) 12.458 13.070 ( -0.000 -2.391 15.256) 15.443 14.632 ( 0.000 4.257 -1.998) 4.703 15.204 ( -0.000 -14.349 -0.971) 14.382 18.425 ( -0.000 -4.977 0.203) 4.981 18.840 ( 0.000 2.957 -0.005) 2.957 19.009 ( -0.000 -0.633 0.375) 0.736 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( -3.817 7.160 -1.581) 8.267 3.692 ( 4.765 1.526 -0.389) 5.018 3.741 ( -2.780 -7.961 -1.663) 8.595 3.894 ( 11.100 1.169 -0.218) 11.163 4.632 ( 4.341 7.666 4.631) 9.953 5.680 ( -0.613 4.023 -5.975) 7.229 5.766 ( -3.742 1.247 -1.215) 4.127 6.125 ( -4.758 -1.361 0.789) 5.011 6.487 ( 8.709 1.934 -0.705) 8.949 6.640 ( -9.251 -4.137 2.922) 10.547 7.291 ( 7.334 16.362 -2.774) 18.143 7.733 ( 8.085 -8.066 3.450) 11.930 7.821 ( 2.717 -2.978 8.275) 9.204 9.166 ( -7.843 -2.785 3.214) 8.922 9.663 ( -0.147 -0.968 0.287) 1.021 10.684 ( 0.284 11.248 -16.427) 19.910 10.800 ( 10.353 -3.636 -1.463) 11.071 12.812 ( -0.859 -0.143 2.992) 3.116 13.108 ( 2.563 3.776 7.704) 8.954 14.656 ( -1.455 4.233 -0.889) 4.564 15.077 ( -0.739 -9.438 -1.025) 9.522 18.373 ( -2.158 -2.499 -0.421) 3.328 18.431 ( -28.993 0.098 0.373) 28.995 19.374 ( 22.739 0.693 0.111) 22.750 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( -5.034 -0.573 -2.663) 5.724 3.597 ( -5.992 -0.421 -2.159) 6.383 3.846 ( 10.609 -0.211 0.640) 10.630 4.162 ( 17.518 1.030 -0.850) 17.569 4.773 ( 4.659 0.675 6.947) 8.392 5.679 ( -6.776 0.726 -0.419) 6.828 5.710 ( 1.196 4.155 -6.752) 8.018 6.010 ( -5.353 -4.266 0.020) 6.845 6.445 ( -8.513 -3.515 2.411) 9.521 6.703 ( 14.218 0.980 -0.980) 14.285 7.483 ( -1.049 8.643 -2.825) 9.153 7.834 ( 2.612 -7.635 8.320) 11.591 7.885 ( 11.751 1.453 6.450) 13.483 9.069 ( 1.374 -3.523 -1.561) 4.091 9.566 ( -7.327 -2.624 -2.961) 8.327 10.756 ( 0.650 6.759 -13.606) 15.207 11.044 ( 19.648 -0.325 0.264) 19.653 12.704 ( -10.443 -2.628 10.822) 15.267 13.247 ( 6.656 0.946 -0.148) 6.724 14.665 ( -1.168 1.068 -0.059) 1.584 15.018 ( 1.938 -0.034 -0.752) 2.079 17.890 ( -32.163 -0.089 0.285) 32.165 18.327 ( -2.190 -0.440 -0.552) 2.301 19.736 ( 18.214 -0.031 0.031) 18.214 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( -4.063 -6.099 -2.877) 7.873 3.516 ( -7.200 7.325 -1.872) 10.440 4.054 ( 14.065 -2.327 0.995) 14.291 4.488 ( 19.329 -1.109 -1.062) 19.390 4.819 ( 1.235 -4.364 7.861) 9.075 5.541 ( -8.158 -2.547 -0.053) 8.547 5.764 ( 1.401 1.513 -9.538) 9.758 5.877 ( -3.461 -3.123 3.399) 5.770 6.307 ( -4.460 -1.545 -0.155) 4.722 6.973 ( 17.132 -3.078 -0.496) 17.414 7.438 ( -9.405 4.751 1.627) 10.662 7.808 ( 1.064 -6.098 8.086) 10.184 8.151 ( 12.628 4.402 3.338) 13.784 9.073 ( 2.824 -8.381 -8.886) 12.537 9.423 ( -6.660 4.984 -2.689) 8.742 10.794 ( 4.491 -3.315 -5.211) 7.636 11.423 ( 22.614 -0.384 0.628) 22.626 12.497 ( -14.209 2.711 8.130) 16.593 13.273 ( -1.814 -5.111 -0.961) 5.507 14.620 ( -0.766 -5.228 0.406) 5.299 15.200 ( 11.739 11.311 -0.472) 16.309 17.330 ( -32.443 1.610 0.336) 32.485 18.290 ( -2.443 1.438 -0.646) 2.907 19.997 ( 12.643 -1.719 -0.003) 12.759 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -0.887 -5.376 -2.487) 5.990 3.473 ( -7.325 9.650 -0.988) 12.155 4.254 ( 11.677 -5.717 0.088) 13.002 4.691 ( 5.685 -11.471 6.693) 14.446 4.882 ( 12.097 1.906 -0.239) 12.249 5.346 ( -8.408 -6.331 0.097) 10.526 5.690 ( -1.843 -5.994 -5.153) 8.117 5.899 ( 0.155 4.853 1.605) 5.114 6.260 ( 0.199 0.140 -3.236) 3.245 7.162 ( 12.027 -13.494 1.281) 18.121 7.333 ( -8.949 5.893 5.854) 12.210 7.837 ( 5.216 2.022 3.943) 6.845 8.388 ( 9.539 2.274 0.173) 9.808 8.917 ( -4.481 -10.080 -13.481) 17.418 9.417 ( -6.267 10.959 0.050) 12.624 10.808 ( 8.268 -17.621 3.445) 19.767 11.747 ( 14.652 -4.566 1.285) 15.400 12.375 ( -6.875 11.330 0.865) 13.281 13.128 ( -6.673 -3.508 0.249) 7.543 14.569 ( 1.537 -5.667 0.578) 5.900 15.536 ( 11.234 6.836 -0.343) 13.155 16.865 ( -24.326 10.742 0.276) 26.594 18.269 ( -2.191 2.660 -0.580) 3.495 20.134 ( 6.556 -4.394 -0.014) 7.892 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( 0.000 -0.379 -2.154) 2.187 3.654 ( 0.000 -0.299 -1.152) 1.190 3.711 ( 0.000 -0.161 -2.379) 2.385 3.797 ( -0.000 0.366 0.919) 0.989 4.646 ( -0.000 0.956 5.753) 5.832 5.701 ( 0.000 2.711 -5.587) 6.210 5.812 ( -0.000 0.314 0.280) 0.420 6.145 ( 0.000 -3.306 -3.055) 4.501 6.415 ( -0.000 0.295 0.116) 0.317 6.731 ( -0.000 0.153 1.819) 1.826 7.304 ( -0.000 -0.545 0.570) 0.789 7.558 ( 0.000 0.386 -0.710) 0.808 7.858 ( -0.000 1.538 14.718) 14.798 9.207 ( 0.000 -6.290 -1.495) 6.466 9.660 ( -0.000 0.076 0.161) 0.178 10.675 ( 0.000 -0.105 -0.077) 0.130 10.724 ( 0.000 4.723 -18.130) 18.735 12.822 ( 0.000 0.844 -0.015) 0.844 13.119 ( -0.000 -1.865 12.373) 12.513 14.691 ( 0.000 0.858 -0.051) 0.859 15.044 ( 0.000 0.583 -1.293) 1.418 18.369 ( 0.000 -0.512 -0.756) 0.913 18.869 ( 0.000 -0.008 -0.023) 0.024 19.001 ( -0.000 -0.149 0.312) 0.346 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( -4.039 -7.653 -2.440) 8.991 3.680 ( 4.218 -1.805 -1.238) 4.752 3.726 ( -2.136 6.904 -2.426) 7.623 3.908 ( 11.271 -0.024 0.597) 11.286 4.679 ( 4.472 -5.651 7.522) 10.417 5.714 ( -0.296 2.320 -5.232) 5.731 5.768 ( -3.259 -2.736 -0.805) 4.331 6.056 ( -4.738 -3.558 -2.578) 6.462 6.486 ( 7.824 -1.662 -0.573) 8.019 6.616 ( -10.766 0.046 1.343) 10.850 7.361 ( 13.038 -11.719 1.267) 17.577 7.689 ( 5.213 9.990 -0.428) 11.277 7.907 ( 0.673 1.788 16.327) 16.439 9.065 ( -6.015 -6.030 -4.897) 9.824 9.633 ( -2.652 -1.089 -1.972) 3.480 10.706 ( 2.617 -3.622 -12.404) 13.184 10.805 ( 9.918 5.162 -2.529) 11.463 12.823 ( -1.580 -0.025 3.049) 3.434 13.125 ( 2.668 -5.881 8.963) 11.047 14.676 ( -1.341 -1.982 0.381) 2.423 15.079 ( -1.023 9.988 -0.935) 10.084 18.361 ( -1.479 1.713 -1.110) 2.521 18.429 ( -29.595 -0.481 0.237) 29.600 19.373 ( 22.760 -0.808 0.066) 22.774 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( -4.407 -8.006 -2.542) 9.485 3.717 ( -4.597 9.508 -3.142) 11.018 3.800 ( 9.863 -3.884 0.308) 10.605 4.150 ( 16.719 -1.812 -0.144) 16.818 4.702 ( 5.178 -11.251 9.470) 15.591 5.619 ( -6.195 -8.057 -0.349) 10.169 5.723 ( 0.189 -0.812 -11.376) 11.407 5.938 ( -4.670 -0.534 3.839) 6.069 6.419 ( -8.883 0.337 -1.374) 8.995 6.660 ( 13.325 -5.272 -1.076) 14.371 7.450 ( 7.940 -10.035 4.283) 13.494 7.809 ( -2.070 3.930 10.547) 11.444 8.054 ( 8.210 8.050 2.544) 11.776 8.922 ( -0.378 -8.093 -7.543) 11.070 9.568 ( -4.291 4.227 -3.599) 7.016 10.660 ( 2.693 -10.618 -8.266) 13.723 11.081 ( 16.181 2.857 0.219) 16.433 12.764 ( -8.129 4.160 5.824) 10.831 13.123 ( 5.210 -12.553 3.206) 13.964 14.607 ( -3.117 -3.450 0.876) 4.732 15.235 ( 3.393 17.863 -0.669) 18.194 17.894 ( -31.152 0.328 0.236) 31.155 18.355 ( -2.263 3.571 -1.119) 4.373 19.711 ( 17.692 -2.511 0.000) 17.870 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( -2.586 -5.968 -2.366) 6.922 3.712 ( -7.433 11.964 -2.331) 14.277 3.960 ( 13.879 -7.634 0.718) 15.856 4.412 ( 15.610 -5.854 0.762) 16.689 4.681 ( 6.252 -13.520 8.652) 17.226 5.394 ( -6.846 -11.620 -2.813) 13.777 5.652 ( -1.763 -4.288 -8.808) 9.954 5.938 ( 0.399 3.836 4.860) 6.205 6.303 ( -4.748 1.348 -3.671) 6.151 6.807 ( 12.678 -12.453 -0.573) 17.780 7.478 ( 2.182 -2.628 7.344) 8.100 7.796 ( -2.355 -0.006 12.552) 12.771 8.293 ( 8.016 9.845 -6.531) 14.277 8.811 ( -0.112 -11.433 -11.506) 16.221 9.597 ( -1.211 11.253 -0.392) 11.325 10.547 ( 2.600 -18.448 -0.667) 18.643 11.380 ( 17.416 -4.204 0.583) 17.925 12.692 ( -9.950 12.908 3.316) 16.632 13.045 ( 2.768 -16.899 1.080) 17.158 14.528 ( -2.205 -2.541 1.294) 3.605 15.523 ( 6.487 18.863 -0.567) 19.956 17.393 ( -27.438 4.370 0.255) 27.785 18.350 ( -2.906 4.857 -1.031) 5.753 19.928 ( 11.556 -5.177 -0.021) 12.662 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 0.000 -9.397 -1.635) 9.538 3.589 ( 0.000 -5.537 -1.762) 5.811 3.788 ( -0.000 -1.866 1.651) 2.492 3.861 ( 0.000 11.867 -3.454) 12.359 4.565 ( -0.000 -11.646 8.044) 14.154 5.724 ( 0.000 -4.229 -8.424) 9.426 5.736 ( -0.000 -3.558 0.843) 3.656 6.075 ( 0.000 -0.863 -2.750) 2.883 6.384 ( -0.000 -3.635 -0.269) 3.644 6.809 ( -0.000 7.040 1.506) 7.199 7.020 ( -0.000 -19.729 1.187) 19.765 7.756 ( 0.000 11.750 -1.110) 11.802 7.938 ( -0.000 -2.306 19.119) 19.258 9.068 ( 0.000 -3.642 -8.083) 8.866 9.622 ( -0.000 -3.886 0.399) 3.906 10.616 ( 0.000 -8.831 -14.511) 16.987 10.757 ( 0.000 8.206 -0.169) 8.208 12.786 ( 0.000 -5.303 -6.154) 8.123 13.098 ( -0.000 -3.921 17.312) 17.750 14.675 ( -0.000 -1.183 0.751) 1.401 15.210 ( 0.000 14.588 -0.683) 14.604 18.398 ( 0.000 3.904 -1.415) 4.152 18.839 ( -0.000 -2.969 -0.033) 2.969 19.006 ( -0.000 0.357 0.186) 0.402 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -3.260 -8.136 -1.058) 8.829 3.571 ( 6.216 -7.917 -1.379) 10.160 3.835 ( 5.554 -0.648 0.353) 5.603 3.970 ( 1.349 9.404 -2.631) 9.858 4.487 ( 4.681 -16.505 9.387) 19.556 5.568 ( -2.624 -15.148 -6.224) 16.586 5.717 ( -1.702 -0.579 -5.337) 5.631 6.029 ( -4.188 0.875 1.962) 4.706 6.407 ( 7.973 -6.593 -2.015) 10.541 6.601 ( -12.604 -3.678 -0.958) 13.165 7.146 ( 15.076 -6.355 4.765) 17.040 7.873 ( 0.493 1.336 8.687) 8.803 7.993 ( 6.866 3.689 4.797) 9.152 8.946 ( -8.366 -1.547 -5.401) 10.077 9.602 ( 1.800 -1.548 -1.349) 2.730 10.462 ( 1.164 -16.289 -10.742) 19.547 10.933 ( 7.820 8.786 -0.018) 11.762 12.731 ( 4.913 -11.622 -6.524) 14.204 13.082 ( -4.103 0.261 15.122) 15.671 14.646 ( -2.716 -0.459 1.342) 3.064 15.384 ( 1.303 19.191 -0.584) 19.244 18.409 ( -28.531 -1.739 0.108) 28.584 18.432 ( -1.427 5.924 -1.558) 6.290 19.341 ( 21.639 -2.563 0.009) 21.790 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( -3.371 -5.790 -0.834) 6.752 3.640 ( 11.980 -10.227 -0.134) 15.752 3.912 ( -0.587 6.013 -2.009) 6.367 4.116 ( 10.613 0.354 -1.472) 10.721 4.421 ( 5.872 -20.172 10.943) 23.689 5.327 ( -3.745 -17.169 -7.446) 19.085 5.634 ( -2.939 -4.398 -6.226) 8.170 5.996 ( -1.933 2.692 5.534) 6.451 6.380 ( -3.281 -8.197 -4.646) 9.977 6.507 ( 7.182 -4.860 -1.052) 8.736 7.315 ( 9.405 -4.347 7.978) 13.076 7.845 ( -0.289 -8.628 12.200) 14.945 8.242 ( 10.334 11.853 -8.552) 17.901 8.766 ( -8.357 -2.763 -2.536) 9.160 9.660 ( 3.620 4.748 -1.694) 6.206 10.290 ( 3.307 -22.852 -5.087) 23.644 11.151 ( 8.600 4.627 0.790) 9.798 12.682 ( 7.627 -18.032 -4.542) 20.099 13.037 ( -7.791 6.928 9.646) 14.203 14.588 ( -4.291 1.043 1.844) 4.785 15.642 ( 4.130 22.098 -0.597) 22.489 17.899 ( -28.111 -0.133 0.155) 28.112 18.459 ( -2.815 7.335 -1.482) 7.995 19.633 ( 16.230 -5.344 -0.031) 17.088 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( -0.000 -7.055 0.383) 7.065 3.417 ( 0.000 -10.762 -2.411) 11.029 3.738 ( -0.000 -3.989 2.686) 4.809 4.054 ( 0.000 2.543 -0.115) 2.546 4.303 ( -0.000 -12.057 5.217) 13.138 5.400 ( 0.000 -19.258 -7.891) 20.812 5.712 ( 0.000 -2.929 -3.844) 4.833 6.086 ( -0.000 1.831 1.133) 2.153 6.242 ( 0.000 -10.864 -4.697) 11.836 6.628 ( -0.000 -19.072 6.127) 20.032 7.020 ( 0.000 13.104 -0.080) 13.105 7.869 ( -0.000 -12.604 12.414) 17.691 7.950 ( 0.000 8.386 -2.709) 8.812 9.060 ( 0.000 5.580 -0.759) 5.632 9.515 ( -0.000 -6.938 1.038) 7.015 10.232 ( 0.000 -23.780 -11.048) 26.221 10.990 ( 0.000 14.710 -0.175) 14.711 12.521 ( 0.000 -17.081 -5.670) 17.998 13.179 ( -0.000 4.722 12.193) 13.075 14.681 ( -0.000 1.456 1.908) 2.400 15.569 ( 0.000 20.627 -0.497) 20.633 18.512 ( 0.000 8.094 -1.775) 8.287 18.752 ( -0.000 -5.673 -0.032) 5.673 19.005 ( -0.000 -0.901 0.013) 0.901 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -2.611 -5.003 1.138) 5.757 3.352 ( 6.976 -13.304 -1.710) 15.119 3.770 ( 7.744 -5.414 1.783) 9.615 4.002 ( 4.672 -19.113 7.794) 21.163 4.277 ( -1.180 4.468 -2.426) 5.219 5.162 ( -1.534 -20.787 -7.860) 22.276 5.624 ( -3.167 -6.646 -4.161) 8.457 6.067 ( -2.732 -2.672 1.994) 4.311 6.154 ( 5.298 -13.250 -4.647) 15.008 6.474 ( -0.264 -7.320 4.412) 8.551 7.208 ( 5.208 8.470 2.892) 10.355 7.719 ( -0.578 -17.524 6.935) 18.855 8.129 ( 10.562 7.505 -5.404) 14.038 8.995 ( -12.747 5.483 5.156) 14.804 9.554 ( 8.800 -2.599 -0.824) 9.213 9.958 ( 2.800 -29.260 -7.415) 30.315 11.165 ( 1.769 14.192 0.265) 14.305 12.360 ( 4.243 -21.005 -4.189) 21.835 13.236 ( -3.298 8.444 8.062) 12.132 14.682 ( -3.039 3.311 2.290) 5.044 15.806 ( 2.622 22.478 -0.504) 22.636 18.354 ( -25.977 -3.937 0.044) 26.273 18.583 ( -1.873 9.793 -1.828) 10.137 19.265 ( 19.563 -5.149 -0.067) 20.229 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( -0.000 -4.573 1.685) 4.874 3.136 ( 0.000 -16.254 -2.666) 16.471 3.655 ( -0.000 -5.668 3.693) 6.765 3.717 ( -0.000 -28.602 10.942) 30.624 4.347 ( 0.000 5.027 -8.191) 9.611 4.951 ( 0.000 -19.451 -5.276) 20.154 5.571 ( 0.000 -9.292 -3.418) 9.901 5.856 ( 0.000 -23.800 -7.684) 25.010 6.150 ( -0.000 3.396 2.518) 4.227 6.379 ( -0.000 -9.657 8.724) 13.014 7.262 ( 0.000 5.230 0.203) 5.234 7.588 ( -0.000 -13.031 3.055) 13.384 8.070 ( 0.000 5.122 -4.227) 6.641 9.256 ( -0.000 10.784 6.071) 12.376 9.362 ( -0.000 -8.729 1.934) 8.940 9.589 ( 0.000 -35.045 -6.545) 35.651 11.328 ( 0.000 18.656 -0.115) 18.656 12.103 ( 0.000 -21.832 -3.820) 22.164 13.364 ( -0.000 9.322 5.770) 10.963 14.759 ( -0.000 5.510 2.488) 6.046 16.005 ( 0.000 22.603 -0.426) 22.607 18.615 ( -0.000 -7.863 -0.023) 7.863 18.702 ( 0.000 11.412 -1.770) 11.549 18.955 ( -0.000 -4.201 -0.324) 4.214 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -0.000 -0.000 36.964) 36.964 0.741 ( -0.000 -0.000 36.964) 36.964 1.233 ( -0.000 -0.000 61.708) 61.708 2.870 ( 0.000 0.000 -23.659) 23.659 2.870 ( 0.000 0.000 -23.659) 23.659 3.796 ( -0.000 -0.000 11.171) 11.171 3.796 ( -0.000 -0.000 11.171) 11.171 4.745 ( 0.000 0.000 -39.455) 39.455 5.972 ( -0.000 -0.000 19.158) 19.158 6.302 ( 0.000 0.000 -0.079) 0.079 6.302 ( 0.000 0.000 -0.079) 0.079 7.011 ( 0.000 0.000 -0.015) 0.015 8.020 ( -0.000 -0.000 0.320) 0.320 8.020 ( -0.000 -0.000 0.320) 0.320 8.794 ( 0.000 0.000 -0.434) 0.434 8.794 ( 0.000 0.000 -0.434) 0.434 11.847 ( -0.000 -0.000 0.425) 0.425 12.774 ( -0.000 0.000 0.007) 0.007 12.774 ( -0.000 -0.000 0.007) 0.007 14.231 ( 0.000 0.000 -0.429) 0.429 17.028 ( -0.000 -0.000 0.274) 0.274 17.897 ( -0.000 -0.000 0.005) 0.005 17.897 ( -0.000 -0.000 0.005) 0.005 21.096 ( -0.000 -0.000 0.090) 0.090 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 17.188 9.924 26.446) 33.065 1.193 ( 24.406 14.091 25.520) 38.019 1.875 ( 37.939 21.904 40.829) 59.885 2.908 ( 7.130 4.116 -23.280) 24.693 2.925 ( 6.777 3.912 -19.623) 21.125 3.893 ( 7.682 4.435 9.823) 13.236 4.105 ( 23.819 13.752 8.266) 28.719 4.485 ( -3.100 -1.790 -25.020) 25.275 5.532 ( -10.729 -6.194 16.034) 20.262 6.288 ( -0.868 -0.501 0.375) 1.070 6.911 ( 5.116 2.954 -5.030) 7.759 7.010 ( 7.558 4.364 -3.872) 9.548 8.033 ( 0.751 0.434 -0.485) 0.994 8.205 ( 7.778 4.491 10.075) 13.497 8.826 ( 2.867 1.655 0.016) 3.311 9.253 ( 29.334 16.936 -28.292) 44.134 10.902 ( -27.179 -15.692 19.986) 37.207 12.689 ( -7.175 -4.143 0.017) 8.285 14.178 ( -4.231 -2.443 -0.778) 4.947 14.364 ( 53.683 30.994 -60.661) 86.731 17.102 ( 4.851 2.801 -0.449) 5.619 17.925 ( 4.125 2.382 -0.400) 4.780 17.945 ( 4.056 2.342 0.007) 4.683 20.547 ( -32.514 -18.772 24.481) 44.820 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 23.175 13.380 10.963) 28.918 1.821 ( 24.570 14.185 15.954) 32.549 2.760 ( 23.352 13.482 11.564) 29.339 3.076 ( 10.754 6.209 -18.585) 22.352 3.119 ( 18.790 10.849 1.673) 21.762 4.190 ( 16.215 9.362 6.763) 19.907 4.534 ( 9.760 5.635 -20.335) 23.249 4.877 ( 36.640 21.154 7.394) 42.950 5.373 ( -4.583 -2.646 6.591) 8.453 6.280 ( 0.293 0.169 1.318) 1.361 6.849 ( -3.219 -1.858 -2.540) 4.502 7.230 ( 9.573 5.527 -6.425) 12.785 8.039 ( -0.071 -0.041 -1.988) 1.990 8.326 ( -0.417 -0.241 17.650) 17.657 8.927 ( 5.614 3.241 0.725) 6.523 9.771 ( 18.618 10.749 -17.740) 27.873 10.666 ( 2.206 1.274 4.242) 4.948 12.454 ( -12.836 -7.411 0.033) 14.821 14.034 ( -7.718 -4.456 -0.496) 8.926 14.851 ( 7.033 4.060 -37.062) 37.942 17.104 ( -6.205 -3.582 -0.527) 7.184 18.075 ( 6.927 4.000 0.014) 7.999 18.154 ( 15.068 8.700 -1.848) 17.497 19.943 ( -24.373 -14.072 19.851) 34.440 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 27.129 15.663 0.875) 31.338 2.373 ( 20.542 11.860 9.802) 25.666 2.987 ( 6.089 3.515 -10.913) 12.982 3.294 ( 10.479 6.050 -12.203) 17.185 3.798 ( 28.371 16.380 21.194) 39.018 4.652 ( 22.048 12.729 3.740) 25.732 4.779 ( 12.780 7.378 -10.887) 18.338 5.100 ( -7.598 -4.386 3.640) 9.498 5.867 ( 29.709 17.152 3.287) 34.462 6.317 ( 2.729 1.576 1.385) 3.442 6.866 ( 8.840 5.104 0.437) 10.217 7.440 ( 10.125 5.846 -10.649) 15.814 8.024 ( -0.725 -0.418 -1.990) 2.159 8.270 ( -5.927 -3.422 11.290) 13.203 9.077 ( 6.986 4.033 0.565) 8.086 10.043 ( 7.606 4.391 3.405) 9.420 10.924 ( 17.488 10.097 -7.657) 21.597 12.113 ( -16.231 -9.371 0.062) 18.742 13.838 ( -8.693 -5.019 -0.017) 10.038 14.790 ( -3.988 -2.302 -20.514) 21.024 16.846 ( -14.957 -8.636 0.033) 17.271 18.253 ( 8.179 4.722 0.022) 9.444 18.514 ( 14.697 8.486 -1.091) 17.006 19.476 ( -19.338 -11.165 11.533) 25.132 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 18.847 10.881 -2.259) 21.880 2.817 ( 16.394 9.465 5.857) 19.816 3.173 ( 15.728 9.081 -11.240) 21.359 3.492 ( 8.361 4.827 -7.273) 12.087 4.384 ( 15.502 8.950 19.464) 26.444 4.834 ( -4.674 -2.698 1.463) 5.591 5.162 ( 13.451 7.766 -6.126) 16.696 5.195 ( 23.701 13.684 2.584) 27.489 6.197 ( 2.615 1.510 -1.114) 3.218 6.407 ( 4.776 2.758 -0.597) 5.547 7.321 ( 22.208 12.822 11.368) 28.050 7.567 ( -1.486 -0.858 -5.767) 6.017 8.004 ( -0.810 -0.468 0.014) 0.936 8.272 ( 11.882 6.860 -8.198) 15.983 9.241 ( 6.944 4.009 -0.340) 8.025 10.167 ( 1.263 0.729 12.842) 12.924 11.349 ( 20.159 11.639 -9.161) 25.015 11.721 ( -17.280 -9.977 0.117) 19.954 13.657 ( -6.538 -3.775 0.616) 7.575 14.645 ( -4.639 -2.678 -12.502) 13.601 16.449 ( -18.839 -10.876 0.179) 21.754 18.442 ( 8.010 4.625 0.030) 9.249 18.794 ( 9.265 5.349 -0.286) 10.702 19.094 ( -15.383 -8.881 6.572) 18.939 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 6.452 3.725 -1.876) 7.683 3.161 ( 12.526 7.232 3.559) 14.895 3.645 ( 5.878 3.394 -4.311) 8.041 3.687 ( 26.426 15.257 -11.234) 32.516 4.389 ( -11.394 -6.579 8.448) 15.636 5.006 ( 13.609 7.857 6.995) 17.201 5.455 ( 11.202 6.467 -0.229) 12.937 5.733 ( 21.575 12.456 3.174) 25.114 6.194 ( -0.728 -0.420 -1.496) 1.716 6.530 ( 6.429 3.712 -3.775) 8.328 7.335 ( -14.322 -8.269 2.045) 16.664 7.741 ( 13.101 7.564 1.356) 15.189 7.980 ( -1.821 -1.052 2.199) 3.043 8.784 ( 28.545 16.480 -10.084) 34.469 9.392 ( 6.245 3.606 -1.025) 7.284 10.132 ( -7.121 -4.111 12.788) 15.203 11.332 ( -16.082 -9.285 0.194) 18.571 11.811 ( 21.183 12.230 -5.154) 24.997 13.549 ( -2.899 -1.674 -0.538) 3.391 14.542 ( -2.084 -1.203 -7.630) 8.001 15.996 ( -19.886 -11.481 0.228) 22.963 18.615 ( 6.806 3.929 0.035) 7.859 18.776 ( -11.537 -6.661 3.224) 13.706 18.961 ( 3.926 2.267 0.612) 4.575 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 5.879 3.394 -0.097) 6.789 3.413 ( 8.722 5.036 2.287) 10.328 3.746 ( 3.544 2.046 -2.592) 4.844 4.054 ( -7.921 -4.573 1.382) 9.250 4.298 ( 17.522 10.116 -7.598) 21.612 5.292 ( 9.008 5.201 7.724) 12.956 5.655 ( 6.093 3.518 1.048) 7.113 6.161 ( 13.588 7.845 2.950) 15.965 6.183 ( -0.556 -0.321 1.149) 1.316 6.719 ( 11.700 6.755 -4.462) 14.228 7.015 ( -12.083 -6.976 0.541) 13.963 7.907 ( -5.306 -3.063 2.424) 6.589 7.993 ( 10.149 5.860 -9.975) 15.390 9.389 ( 23.474 13.553 -3.121) 27.285 9.524 ( 5.251 3.032 -0.879) 6.127 9.905 ( -14.104 -8.143 14.397) 21.737 10.995 ( -12.718 -7.343 0.224) 14.687 12.287 ( 19.707 11.378 -1.012) 22.778 13.503 ( -1.007 -0.581 -5.084) 5.216 14.524 ( 1.724 0.995 -3.315) 3.867 15.549 ( -18.377 -10.610 0.331) 21.222 18.550 ( -8.288 -4.785 2.106) 9.799 18.752 ( 4.901 2.830 0.036) 5.659 19.016 ( 0.916 0.529 0.154) 1.069 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( 6.662 3.846 1.535) 7.845 3.573 ( 4.619 2.667 1.562) 5.557 3.800 ( 1.598 0.923 -1.503) 2.380 3.804 ( -10.873 -6.277 3.789) 13.114 4.671 ( 12.871 7.431 -10.179) 18.014 5.459 ( 4.320 2.494 7.577) 9.072 5.763 ( 3.616 2.088 0.110) 4.177 6.148 ( -3.122 -1.802 3.566) 5.070 6.363 ( 4.614 2.664 0.464) 5.348 6.817 ( -4.907 -2.833 -0.820) 5.725 7.050 ( 15.983 9.228 -1.512) 18.517 7.734 ( -9.864 -5.695 1.286) 11.463 8.179 ( 8.779 5.069 -19.249) 21.755 9.496 ( -15.212 -8.782 -3.522) 17.914 9.624 ( 3.310 1.911 -0.408) 3.843 9.923 ( 14.387 8.306 24.986) 30.005 10.760 ( -7.267 -4.196 0.171) 8.394 12.671 ( 12.420 7.171 0.354) 14.346 13.463 ( -1.089 -0.629 -10.521) 10.595 14.601 ( 4.752 2.743 -0.293) 5.495 15.174 ( -13.333 -7.698 0.877) 15.421 18.406 ( -4.488 -2.591 1.375) 5.361 18.839 ( 2.555 1.475 0.034) 2.950 19.018 ( -0.418 -0.241 -0.173) 0.513 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( -0.409 -0.236 2.343) 2.390 3.628 ( -0.238 -0.138 1.197) 1.228 3.645 ( -0.070 -0.040 3.588) 3.589 3.818 ( 0.303 0.175 -0.932) 0.996 4.811 ( 1.005 0.580 -9.429) 9.500 5.548 ( 2.258 1.304 8.490) 8.881 5.822 ( 0.549 0.317 -0.694) 0.940 6.070 ( -3.330 -1.923 3.597) 5.265 6.418 ( 0.351 0.202 -0.096) 0.416 6.766 ( 0.297 0.171 -1.283) 1.328 7.320 ( -0.825 -0.477 -0.910) 1.318 7.538 ( 0.644 0.372 1.081) 1.312 8.302 ( 5.536 3.196 -27.660) 28.389 9.135 ( -14.150 -8.170 7.061) 17.800 9.664 ( 0.071 0.041 -0.231) 0.246 10.255 ( 8.372 4.833 24.222) 26.080 10.673 ( -0.113 -0.065 0.107) 0.168 12.822 ( 0.423 0.244 -0.008) 0.488 13.408 ( -1.559 -0.900 -13.320) 13.441 14.690 ( 1.155 0.667 0.025) 1.334 15.006 ( 0.684 0.395 2.197) 2.334 18.349 ( -0.593 -0.342 0.979) 1.194 18.869 ( -0.009 -0.005 0.031) 0.032 19.009 ( -0.168 -0.097 -0.397) 0.442 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -7.126 -4.114 1.357) 8.339 3.568 ( -5.073 -2.929 1.353) 6.012 3.807 ( -1.170 -0.676 -1.195) 1.803 3.811 ( 10.196 5.887 3.751) 12.356 4.684 ( -9.904 -5.718 -9.297) 14.738 5.578 ( -3.975 -2.295 12.196) 13.031 5.747 ( -4.744 -2.739 -0.677) 5.519 6.056 ( 1.293 0.747 0.224) 1.510 6.377 ( -4.162 -2.403 0.706) 4.858 6.827 ( 5.452 3.148 -0.957) 6.368 7.040 ( -15.789 -9.116 -1.587) 18.300 7.739 ( 9.548 5.512 1.281) 11.099 8.247 ( -6.090 -3.516 -25.780) 26.722 8.963 ( -1.052 -0.607 7.065) 7.169 9.627 ( -3.159 -1.824 -0.322) 3.662 10.373 ( -3.470 -2.003 20.840) 21.222 10.756 ( 7.096 4.097 0.056) 8.194 12.725 ( -8.106 -4.680 3.349) 9.942 13.321 ( -2.822 -1.629 -15.434) 15.774 14.675 ( -0.731 -0.422 0.926) 1.253 15.196 ( 13.147 7.590 1.348) 15.240 18.382 ( 3.255 1.879 0.842) 3.852 18.839 ( -2.570 -1.484 0.027) 2.968 19.010 ( 0.198 0.114 -0.386) 0.448 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -5.536 -3.196 -0.478) 6.410 3.403 ( -9.501 -5.486 1.890) 11.133 3.754 ( -3.110 -1.796 -2.181) 4.202 4.049 ( 6.591 3.805 1.429) 7.744 4.343 ( -15.079 -8.706 -6.550) 18.603 5.342 ( -16.166 -9.333 9.160) 20.793 5.688 ( -2.889 -1.668 3.232) 4.645 6.096 ( 2.101 1.213 -1.764) 3.000 6.212 ( -11.157 -6.441 4.492) 13.643 6.668 ( -14.707 -8.491 -5.877) 17.970 7.020 ( 10.950 6.322 0.152) 12.645 7.932 ( 6.779 3.914 2.851) 8.330 7.953 ( -14.313 -8.264 -12.668) 20.824 9.063 ( 7.525 4.344 -1.960) 8.907 9.521 ( -5.758 -3.324 -0.965) 6.718 10.153 ( -18.873 -10.897 12.571) 25.159 10.989 ( 12.734 7.352 0.088) 14.704 12.479 ( -14.210 -8.204 6.720) 17.731 13.264 ( 1.855 1.071 -13.038) 13.213 14.687 ( 1.753 1.012 0.034) 2.024 15.565 ( 17.941 10.358 0.673) 20.727 18.502 ( 6.895 3.981 1.053) 8.031 18.752 ( -4.912 -2.836 0.025) 5.671 19.005 ( -0.864 -0.499 -0.147) 1.008 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.000 26.191 26.233) 37.069 1.202 ( -0.000 18.664 28.735) 34.264 1.973 ( -0.000 41.391 41.891) 58.890 2.832 ( 0.000 6.961 -22.673) 23.717 2.887 ( 0.000 8.315 -22.211) 23.717 3.978 ( -0.000 11.808 8.855) 14.759 4.056 ( -0.000 23.602 8.634) 25.131 4.425 ( 0.000 -2.540 -26.624) 26.745 5.532 ( -0.000 -15.902 14.968) 21.838 6.283 ( -0.000 -1.834 0.339) 1.865 6.941 ( 0.000 -4.152 -0.664) 4.205 7.015 ( 0.000 24.482 -7.711) 25.668 8.039 ( 0.000 1.958 -0.440) 2.006 8.180 ( -0.000 7.972 9.639) 12.509 8.817 ( 0.000 2.497 -0.070) 2.498 9.146 ( 0.000 24.021 -22.909) 33.194 10.987 ( -0.000 -27.187 16.318) 31.708 12.689 ( -0.000 -8.305 0.011) 8.305 14.169 ( 0.000 1.336 -5.960) 6.108 14.256 ( 0.000 56.250 -47.943) 73.909 17.101 ( 0.000 5.351 -0.247) 5.356 17.928 ( 0.000 5.088 -0.492) 5.112 17.945 ( 0.000 4.685 0.008) 4.685 20.602 ( -0.000 -35.628 20.587) 41.148 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 9.211 20.320 16.625) 27.823 1.702 ( 16.414 24.636 19.142) 35.253 2.635 ( 16.088 28.371 23.221) 40.037 2.942 ( 8.031 9.208 -18.987) 22.579 2.992 ( 8.358 12.601 -10.185) 18.231 4.169 ( 5.105 17.987 7.483) 20.139 4.436 ( 4.576 9.386 -22.565) 24.864 4.610 ( 24.686 33.793 5.477) 42.206 5.395 ( -2.969 -10.539 8.722) 13.999 6.270 ( 0.587 -1.620 0.126) 1.728 6.858 ( -1.501 -6.583 -1.113) 6.844 7.222 ( 0.582 16.069 -6.018) 17.168 8.068 ( -0.262 3.325 -2.092) 3.937 8.328 ( 3.388 2.032 18.896) 19.304 8.886 ( 3.874 4.119 1.006) 5.743 9.478 ( 18.858 12.950 -23.068) 32.488 10.763 ( -6.889 -0.045 6.799) 9.679 12.524 ( -6.865 -11.955 0.027) 13.786 14.085 ( -3.744 -6.606 -0.372) 7.603 14.702 ( 9.113 17.798 -40.338) 45.022 17.147 ( -0.290 -0.689 -0.609) 0.964 17.915 ( 0.068 0.597 0.019) 0.601 18.170 ( 9.443 16.799 -1.347) 19.318 20.153 ( -15.910 -26.556 19.860) 36.780 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 18.473 21.558 4.441) 28.735 2.254 ( 15.757 21.496 12.239) 29.328 2.889 ( 4.772 2.185 -9.636) 10.973 3.176 ( 10.298 11.074 -14.910) 21.236 3.574 ( 24.162 24.244 21.111) 40.215 4.542 ( 12.452 22.015 5.590) 25.903 4.644 ( 10.064 13.138 -15.285) 22.528 5.165 ( -4.124 -5.847 7.077) 10.063 5.562 ( 30.165 29.052 2.030) 41.929 6.275 ( 2.061 -1.295 -1.385) 2.800 6.795 ( 2.109 -2.408 -0.629) 3.262 7.369 ( 3.636 10.339 -7.463) 13.259 8.076 ( -2.348 3.947 -3.769) 5.941 8.356 ( -4.047 -2.053 17.246) 17.833 9.030 ( 5.789 6.496 1.923) 8.911 9.855 ( 17.348 3.518 -8.844) 19.788 10.832 ( 5.420 14.052 -1.985) 15.191 12.231 ( -11.217 -14.304 0.068) 18.178 13.921 ( -6.938 -6.816 -0.294) 9.730 14.767 ( -0.754 0.300 -23.699) 23.712 17.015 ( -10.877 -5.726 -0.128) 12.293 17.977 ( 10.063 -6.191 0.007) 11.815 18.538 ( 9.267 21.725 -1.146) 23.647 19.674 ( -16.706 -18.842 13.142) 28.405 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 21.181 20.090 -1.568) 29.236 2.721 ( 12.647 18.156 7.183) 23.263 2.983 ( 8.550 1.542 -9.883) 13.159 3.433 ( 8.379 12.562 -9.401) 17.787 4.218 ( 20.371 15.552 19.272) 32.066 4.875 ( -0.590 -0.922 1.246) 1.658 5.033 ( 9.678 9.319 -7.154) 15.221 5.045 ( 11.989 18.250 4.791) 22.355 6.151 ( 7.151 7.306 0.419) 10.232 6.334 ( 5.956 1.089 -2.365) 6.501 7.053 ( 23.278 12.533 6.264) 27.170 7.511 ( 4.746 3.617 -7.720) 9.758 8.031 ( -3.449 -0.302 -7.085) 7.886 8.320 ( -3.690 9.905 9.175) 13.997 9.204 ( 5.019 7.788 0.925) 9.311 10.090 ( 9.350 -2.004 4.564) 10.596 11.164 ( 14.410 16.751 -6.649) 23.075 11.871 ( -13.365 -14.013 0.179) 19.365 13.727 ( -7.072 -6.397 0.019) 9.535 14.659 ( -3.788 -3.118 -13.918) 14.757 16.687 ( -18.279 -7.629 0.178) 19.808 18.114 ( 15.259 -11.741 0.032) 19.253 18.879 ( 4.949 20.954 -0.376) 21.534 19.259 ( -14.695 -14.189 7.625) 21.804 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 6.920 5.409 -2.225) 9.060 3.099 ( 9.594 15.886 4.843) 19.179 3.310 ( 23.321 10.656 -9.847) 27.466 3.680 ( 6.420 16.376 -6.317) 18.689 4.494 ( -5.570 -6.649 11.609) 14.491 4.860 ( 11.482 5.770 4.125) 13.496 5.323 ( 12.033 9.558 -0.070) 15.368 5.568 ( 17.205 20.745 3.279) 27.150 6.189 ( -0.009 -1.434 -2.177) 2.607 6.442 ( 5.841 1.817 -3.659) 7.128 7.453 ( -8.216 -8.764 -1.019) 12.056 7.572 ( 16.279 7.957 7.219) 19.505 8.020 ( 1.408 4.538 -3.283) 5.775 8.579 ( 13.718 24.632 -4.653) 28.575 9.352 ( 3.795 6.090 -0.235) 7.179 10.151 ( 1.105 -7.241 8.379) 11.129 11.500 ( -12.999 -9.706 -0.722) 16.238 11.613 ( 16.881 16.771 -4.129) 24.151 13.566 ( -4.009 -5.962 -0.531) 7.204 14.545 ( -2.645 -2.665 -8.301) 9.110 16.257 ( -21.325 -8.648 0.304) 23.014 18.254 ( 16.633 -16.216 0.044) 23.230 18.914 ( -12.096 -10.391 4.122) 16.470 19.123 ( -0.303 19.416 0.209) 19.420 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 6.060 1.606 -0.628) 6.300 3.387 ( 5.857 13.368 2.819) 14.864 3.684 ( 9.182 6.383 -4.740) 12.145 4.038 ( 13.409 19.978 -8.765) 25.608 4.246 ( -8.416 -9.562 4.623) 13.552 5.171 ( 12.438 4.956 7.404) 15.300 5.571 ( 7.452 4.279 2.644) 8.991 6.019 ( 12.755 10.764 1.100) 16.727 6.199 ( 2.067 4.067 1.431) 4.782 6.582 ( 8.847 3.439 -2.427) 9.798 7.157 ( -12.184 -8.697 -3.499) 15.373 7.833 ( 9.682 2.599 -6.275) 11.826 8.063 ( -5.573 8.679 5.978) 11.922 9.130 ( 20.127 18.504 -6.820) 28.178 9.467 ( 5.574 3.375 2.730) 7.065 10.029 ( -6.807 -9.737 8.871) 14.827 11.178 ( -13.991 -4.962 -0.168) 14.846 12.108 ( 18.402 18.661 -1.064) 26.230 13.464 ( -0.398 -6.406 -3.891) 7.505 14.492 ( 0.696 -1.136 -4.089) 4.301 15.795 ( -21.236 -8.924 0.407) 23.038 18.358 ( 16.304 -20.254 -0.026) 26.001 18.647 ( -8.884 -7.734 2.460) 12.033 19.269 ( -5.070 19.417 0.117) 20.068 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 7.454 0.814 1.201) 7.594 3.582 ( 2.310 10.252 1.748) 10.653 3.810 ( 0.084 4.169 -1.078) 4.307 3.942 ( -9.979 -5.340 3.019) 11.714 4.523 ( 14.886 15.315 -10.691) 23.884 5.395 ( 7.528 1.819 8.282) 11.339 5.689 ( 4.778 -0.784 1.034) 4.951 6.144 ( 1.574 -2.669 0.691) 3.175 6.369 ( 3.123 10.098 2.178) 10.792 6.775 ( 4.576 -4.963 5.978) 9.018 6.971 ( 2.410 7.875 -9.561) 12.619 7.921 ( -5.377 3.404 -2.488) 6.833 8.061 ( 1.025 5.957 -8.259) 10.235 9.360 ( 5.133 -9.498 -8.057) 13.471 9.757 ( -0.232 10.696 -7.687) 13.174 9.846 ( 5.864 -1.184 30.356) 30.939 10.930 ( -12.294 1.807 -0.120) 12.427 12.575 ( 13.354 16.968 0.659) 21.603 13.391 ( 1.497 -7.518 -9.215) 11.987 14.532 ( 4.683 0.575 -0.789) 4.784 15.364 ( -17.951 -8.261 0.656) 19.771 18.410 ( 13.314 -21.383 -0.107) 25.189 18.466 ( -3.217 -7.267 1.501) 8.087 19.346 ( -8.516 19.813 -0.009) 21.565 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 7.314 -0.790 2.549) 7.785 3.658 ( -3.524 -1.899 3.122) 5.077 3.700 ( -3.860 1.734 1.575) 4.516 3.900 ( -3.559 9.201 -0.704) 9.890 4.796 ( 4.334 8.975 -10.653) 14.588 5.521 ( 4.030 0.728 8.889) 9.787 5.757 ( 4.984 -2.445 -0.239) 5.557 6.097 ( -2.416 -4.470 2.959) 5.880 6.473 ( -1.629 7.974 0.537) 8.157 6.696 ( 0.453 -8.423 -1.862) 8.638 7.259 ( 11.586 10.641 0.076) 15.732 7.749 ( -16.190 6.110 0.801) 17.323 8.158 ( 7.131 1.963 -22.273) 23.469 9.214 ( -5.783 -13.512 -0.499) 14.706 9.635 ( -2.339 -4.829 4.565) 7.045 10.239 ( 11.076 11.935 21.448) 26.928 10.794 ( -8.780 7.588 0.062) 11.604 12.855 ( 2.083 9.807 -1.124) 10.088 13.331 ( 2.640 -6.505 -11.700) 13.645 14.643 ( 5.540 1.588 0.201) 5.767 15.050 ( -8.684 -5.285 1.497) 10.276 18.357 ( -1.330 -3.164 0.981) 3.569 18.437 ( 14.489 -24.864 -0.166) 28.778 19.377 ( -10.707 19.924 -0.106) 22.619 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( -3.763 -7.253 2.499) 8.545 3.655 ( 1.441 1.594 2.583) 3.360 3.695 ( 1.217 3.397 1.779) 4.023 3.915 ( -5.218 9.135 -0.392) 10.528 4.800 ( -7.296 2.014 -10.187) 12.691 5.600 ( 1.784 -0.143 10.687) 10.835 5.767 ( -1.372 -5.388 -0.118) 5.561 6.030 ( 0.232 -3.154 1.363) 3.444 6.479 ( -5.263 5.408 0.471) 7.561 6.643 ( 4.083 -10.026 -2.416) 11.092 7.361 ( -13.510 5.862 1.236) 14.779 7.686 ( 4.258 10.412 -0.222) 11.251 8.201 ( 1.842 -0.660 -26.843) 26.914 8.985 ( -5.745 -9.079 7.499) 13.102 9.600 ( 2.179 -5.247 3.009) 6.429 10.473 ( -0.980 4.935 20.103) 20.723 10.793 ( -1.860 11.516 0.257) 11.668 12.853 ( -6.604 1.677 -1.413) 6.958 13.276 ( -0.425 -5.338 -12.369) 13.478 14.676 ( -0.999 -2.078 0.317) 2.327 15.062 ( 9.620 4.622 1.617) 10.795 18.347 ( 2.053 -0.482 0.927) 2.303 18.433 ( 14.237 -25.742 -0.271) 29.418 19.375 ( -12.070 19.222 -0.127) 22.698 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( -4.722 -6.751 0.828) 8.280 3.562 ( -10.318 1.750 1.163) 10.530 3.835 ( -0.858 3.651 0.385) 3.770 3.953 ( 5.595 6.444 2.344) 8.850 4.552 ( -17.054 -3.786 -10.054) 20.156 5.511 ( -11.473 -9.519 10.630) 18.309 5.691 ( -0.039 -2.985 2.566) 3.936 6.044 ( 2.992 -1.578 -2.278) 4.079 6.392 ( -10.758 2.859 2.323) 11.371 6.600 ( 3.684 -13.369 -0.675) 13.883 7.172 ( -12.681 11.084 -3.198) 17.143 7.896 ( 4.965 8.134 0.309) 9.534 8.068 ( -7.595 -2.517 -15.942) 17.837 8.917 ( 5.110 -6.548 3.130) 8.876 9.592 ( -1.317 0.021 1.715) 2.163 10.381 ( -13.705 -5.066 13.654) 19.998 10.933 ( 3.918 11.490 0.105) 12.140 12.690 ( -13.477 -1.517 5.587) 14.668 13.182 ( 1.673 -4.728 -14.860) 15.683 14.651 ( 1.367 -2.308 -0.066) 2.683 15.380 ( 16.075 10.783 0.798) 19.373 18.410 ( 12.731 -25.363 -0.156) 28.379 18.423 ( 5.668 1.513 1.104) 5.969 19.341 ( -13.054 17.422 -0.063) 21.770 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -0.000 23.003 13.501) 26.673 1.853 ( -0.000 28.762 17.799) 33.824 2.788 ( 0.000 11.650 1.031) 11.695 2.933 ( 0.000 11.583 -18.442) 21.777 3.104 ( -0.000 31.587 11.353) 33.566 4.337 ( -0.000 20.655 4.847) 21.216 4.474 ( 0.000 15.663 -20.633) 25.904 4.805 ( -0.000 44.891 6.348) 45.337 5.330 ( -0.000 -9.572 6.795) 11.739 6.240 ( -0.000 -2.446 1.351) 2.794 6.776 ( 0.000 -9.051 -1.476) 9.171 7.410 ( 0.000 17.678 -8.777) 19.737 8.087 ( 0.000 3.128 -2.113) 3.775 8.399 ( -0.000 6.209 22.594) 23.432 8.892 ( -0.000 4.723 0.870) 4.802 9.374 ( 0.000 9.496 -18.151) 20.485 10.855 ( -0.000 6.087 1.424) 6.251 12.453 ( -0.000 -14.819 0.033) 14.819 14.030 ( -0.000 -9.050 -0.465) 9.062 14.724 ( 0.000 13.037 -32.986) 35.469 17.101 ( -0.000 -7.010 -0.235) 7.014 18.075 ( 0.000 8.002 0.013) 8.002 18.158 ( 0.000 17.431 -1.743) 17.518 20.038 ( -0.000 -29.324 16.807) 33.799 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 6.557 25.860 5.057) 27.153 2.285 ( 11.202 25.334 13.134) 30.656 2.837 ( 1.377 1.926 -9.404) 9.697 3.094 ( 8.187 12.561 -14.455) 20.827 3.597 ( 11.076 32.595 20.651) 40.144 4.624 ( 6.002 23.020 -2.912) 23.967 4.655 ( 4.925 20.293 -8.245) 22.451 5.168 ( -2.013 -6.950 6.557) 9.765 5.500 ( 16.261 41.203 2.569) 44.370 6.228 ( 0.721 -2.185 -0.543) 2.364 6.708 ( 2.326 -6.052 0.311) 6.491 7.492 ( -4.458 12.373 -8.890) 15.875 8.119 ( -0.076 2.631 -5.378) 5.987 8.475 ( -2.766 3.956 19.635) 20.220 8.998 ( 5.381 6.193 2.552) 8.592 9.568 ( 14.848 5.103 -8.811) 18.004 10.951 ( -0.280 16.066 -2.944) 16.336 12.230 ( -6.744 -16.882 0.073) 18.179 13.915 ( -2.226 -10.023 -0.209) 10.269 14.737 ( -0.518 1.832 -22.608) 22.688 17.015 ( 0.510 -12.136 -0.047) 12.147 17.980 ( -10.523 5.653 -0.089) 11.945 18.538 ( 13.879 18.926 -1.103) 23.495 19.710 ( -8.795 -24.276 12.127) 28.526 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 14.485 25.468 -1.122) 29.321 2.742 ( 10.439 21.162 7.004) 24.614 2.876 ( 4.088 2.455 -7.132) 8.579 3.375 ( 11.252 13.696 -9.229) 19.984 4.146 ( 13.607 23.118 18.086) 32.353 4.875 ( 2.770 7.145 -2.162) 7.962 4.995 ( 2.613 6.183 -4.847) 8.280 5.100 ( 7.154 20.430 5.846) 22.422 6.119 ( 8.200 13.364 1.485) 15.750 6.233 ( 5.053 2.466 -5.306) 7.731 6.852 ( 15.309 12.480 6.054) 20.658 7.505 ( -1.579 4.227 -5.173) 6.865 8.073 ( -4.093 -0.176 -11.904) 12.589 8.533 ( -2.338 12.528 13.692) 18.706 9.189 ( 6.702 7.892 3.070) 10.799 9.849 ( 14.476 -1.560 -0.111) 14.560 11.171 ( 5.570 20.642 -5.061) 21.971 11.913 ( -9.575 -16.668 0.223) 19.224 13.753 ( -4.734 -9.862 -0.083) 10.939 14.656 ( -2.867 -2.671 -14.069) 14.604 16.840 ( -7.221 -12.337 0.137) 14.296 17.884 ( -1.631 -2.655 0.044) 3.116 18.943 ( 10.716 18.311 -0.294) 21.218 19.338 ( -11.105 -18.545 7.448) 22.863 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 4.543 6.530 -1.784) 8.152 3.038 ( 18.848 16.751 -4.487) 25.612 3.158 ( 8.682 20.213 0.681) 22.009 3.697 ( 10.021 16.517 -5.239) 20.017 4.517 ( 1.657 1.687 13.503) 13.708 4.775 ( 1.974 -0.308 0.301) 2.021 5.251 ( 9.792 14.411 -0.750) 17.439 5.567 ( 11.722 26.092 5.517) 29.132 6.141 ( 1.295 -4.557 -3.698) 6.010 6.363 ( 4.175 2.475 -4.509) 6.624 7.387 ( 17.661 13.643 7.694) 23.606 7.459 ( -2.526 -7.009 1.253) 7.555 8.027 ( 1.612 9.295 -14.802) 17.553 8.729 ( 1.932 23.021 7.707) 24.353 9.360 ( 3.155 6.219 1.574) 7.149 10.000 ( 7.821 -7.785 2.284) 11.269 11.531 ( 12.298 22.005 -4.406) 25.590 11.595 ( -9.647 -12.547 0.396) 15.831 13.566 ( -4.946 -9.792 -0.248) 10.973 14.546 ( -3.048 -3.136 -8.341) 9.417 16.517 ( -16.562 -10.085 0.325) 19.393 17.869 ( 7.728 -11.912 0.042) 14.199 18.996 ( -10.312 -14.258 4.482) 18.158 19.267 ( 5.538 17.450 -0.124) 18.308 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 4.403 1.480 -0.270) 4.653 3.465 ( 5.143 18.094 2.491) 18.975 3.542 ( 16.751 15.719 -7.036) 24.025 4.036 ( 9.783 20.215 -5.195) 23.051 4.313 ( -10.451 -12.496 4.391) 16.872 5.016 ( 12.160 5.931 5.287) 14.526 5.526 ( 6.190 8.805 5.458) 12.068 5.957 ( 6.433 11.111 -1.485) 12.925 6.186 ( 7.217 6.940 2.890) 10.421 6.466 ( 6.754 2.470 -2.616) 7.653 7.232 ( -8.793 -10.594 -6.643) 15.286 7.686 ( 8.426 2.361 -1.754) 8.925 8.239 ( 2.652 16.566 5.164) 17.554 9.096 ( 9.109 26.571 -2.573) 28.207 9.413 ( 1.616 -2.758 3.869) 5.019 9.989 ( 1.033 -9.313 1.188) 9.445 11.342 ( -9.598 -4.416 -0.065) 10.565 12.007 ( 16.734 22.698 -1.311) 28.230 13.394 ( -2.631 -10.814 -2.043) 11.315 14.467 ( -0.970 -2.223 -4.401) 5.025 16.091 ( -21.262 -8.404 0.471) 22.867 17.892 ( 12.404 -19.131 -0.032) 22.800 18.714 ( -8.556 -10.474 2.483) 13.751 19.492 ( 0.733 16.803 0.058) 16.819 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 5.770 0.548 1.361) 5.953 3.688 ( 1.169 15.098 0.204) 15.144 3.851 ( 2.685 8.121 -0.755) 8.586 4.037 ( -6.380 -7.010 2.299) 9.753 4.429 ( 12.525 20.140 -9.118) 25.409 5.268 ( 10.880 1.850 6.684) 12.902 5.636 ( 0.753 0.540 4.115) 4.218 6.065 ( 4.511 -0.984 -3.148) 5.588 6.430 ( 3.825 12.082 2.005) 12.831 6.658 ( 8.824 1.715 11.274) 14.419 7.001 ( -4.051 -0.728 -15.015) 15.569 7.824 ( 8.143 0.795 -9.487) 12.528 8.340 ( -11.214 14.018 8.482) 19.854 9.240 ( -1.950 -3.922 -9.570) 10.524 9.683 ( 18.468 14.167 15.250) 27.827 9.868 ( -4.935 -8.178 0.137) 9.552 11.174 ( -10.369 5.684 -0.628) 11.841 12.522 ( 15.708 21.373 0.870) 26.538 13.248 ( 0.441 -12.876 -6.161) 14.281 14.460 ( 2.826 -0.771 -1.459) 3.272 15.636 ( -21.636 -7.167 0.600) 22.801 17.907 ( 14.208 -24.189 -0.186) 28.054 18.503 ( -5.977 -7.263 1.439) 9.515 19.635 ( -3.423 16.660 0.030) 17.008 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( 7.216 -0.322 2.608) 7.679 3.700 ( -6.988 -9.725 3.726) 12.541 3.822 ( -2.407 11.269 -0.718) 11.546 4.084 ( -2.619 14.625 0.308) 14.861 4.772 ( 8.447 13.149 -11.318) 19.296 5.461 ( 7.453 1.615 8.738) 11.598 5.641 ( 2.668 -3.911 1.549) 4.981 6.077 ( 0.037 -4.200 0.158) 4.203 6.570 ( 2.223 2.373 0.223) 3.259 6.655 ( -5.335 1.175 0.919) 5.540 7.156 ( 11.977 9.461 -1.194) 15.309 7.955 ( 7.216 3.439 -14.361) 16.436 8.185 ( -18.101 6.849 -0.050) 19.353 9.143 ( -0.863 -6.808 -2.195) 7.205 9.661 ( -6.717 -11.236 5.692) 14.275 10.178 ( 15.718 15.018 14.532) 26.148 11.085 ( -11.243 13.538 -0.393) 17.602 12.898 ( 5.028 10.106 -4.044) 11.991 13.155 ( 6.117 -8.384 -5.686) 11.834 14.546 ( 6.659 1.412 0.090) 6.808 15.225 ( -17.554 -5.473 0.807) 18.405 17.902 ( 15.166 -27.102 -0.365) 31.059 18.370 ( -2.907 -4.480 0.954) 5.425 19.713 ( -6.673 16.482 -0.024) 17.781 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 1.907 -4.771 3.326) 6.121 3.559 ( 2.339 -5.018 3.323) 6.457 3.855 ( -6.048 9.625 -0.629) 11.385 4.150 ( -7.059 15.046 0.803) 16.639 4.897 ( -1.694 4.948 -11.347) 12.494 5.592 ( 2.665 2.434 10.529) 11.130 5.676 ( 5.037 -5.438 0.142) 7.413 6.002 ( -1.863 -5.762 1.174) 6.169 6.487 ( -0.495 -9.728 -3.673) 10.410 6.687 ( -5.485 12.503 1.221) 13.708 7.432 ( 9.552 4.207 4.329) 11.300 7.908 ( -16.588 7.329 -3.785) 18.526 8.080 ( 5.745 1.789 -20.795) 21.648 9.032 ( -6.436 -4.704 4.375) 9.093 9.505 ( 0.859 -8.927 6.231) 10.920 10.543 ( 6.350 9.334 16.527) 20.014 11.048 ( -10.260 17.075 -0.348) 19.923 12.872 ( 0.644 -8.697 -13.132) 15.764 13.244 ( 0.539 2.760 0.407) 2.842 14.664 ( 1.974 -0.190 0.051) 1.983 15.005 ( -1.286 2.060 1.193) 2.705 17.895 ( 15.927 -27.839 -0.443) 32.076 18.318 ( 0.485 -2.096 0.817) 2.301 19.736 ( -9.127 15.719 -0.046) 18.176 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -4.262 -7.757 2.412) 9.173 3.695 ( 10.678 0.860 3.380) 11.233 3.803 ( -8.912 7.028 -0.402) 11.357 4.147 ( -9.615 13.287 0.679) 16.415 4.770 ( -12.244 -0.835 -11.188) 16.607 5.599 ( -6.602 -9.351 7.834) 13.870 5.658 ( 1.286 -1.538 6.052) 6.376 5.963 ( 2.734 -2.440 -3.587) 5.128 6.416 ( 3.641 -8.496 -0.500) 9.257 6.651 ( -11.571 8.741 1.491) 14.578 7.468 ( -10.020 2.916 -1.093) 10.493 7.866 ( 5.406 5.139 -6.497) 9.891 8.105 ( -0.806 3.933 -13.147) 13.746 8.869 ( -6.473 -5.494 8.156) 11.773 9.543 ( 6.395 -1.097 4.038) 7.642 10.592 ( -9.553 -0.344 11.818) 15.200 11.083 ( -5.591 15.856 -0.232) 16.815 12.805 ( 2.677 -4.832 -6.321) 8.394 13.148 ( -9.461 -3.543 -4.146) 10.920 14.610 ( -1.169 -4.216 -0.205) 4.380 15.230 ( 13.825 11.970 0.812) 18.305 17.896 ( 15.798 -26.804 -0.348) 31.115 18.348 ( 4.073 -0.159 0.962) 4.188 19.711 ( -11.027 14.049 -0.023) 17.860 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 0.000 28.912 1.745) 28.964 2.455 ( -0.000 24.230 12.058) 27.064 2.828 ( 0.000 2.116 -8.158) 8.428 3.114 ( 0.000 12.900 -12.442) 17.922 3.891 ( -0.000 33.388 19.086) 38.458 4.781 ( 0.000 19.589 -11.552) 22.741 4.829 ( 0.000 26.681 0.720) 26.691 5.117 ( -0.000 -8.455 2.705) 8.877 5.808 ( -0.000 40.508 4.662) 40.775 6.209 ( -0.000 -1.368 2.664) 2.994 6.647 ( -0.000 0.845 1.289) 1.542 7.633 ( 0.000 8.846 -10.861) 14.008 8.135 ( 0.000 2.642 -3.472) 4.363 8.551 ( -0.000 0.362 8.200) 8.208 9.012 ( -0.000 6.601 1.639) 6.802 9.504 ( -0.000 9.480 4.888) 10.666 11.119 ( 0.000 19.140 -6.130) 20.097 12.113 ( -0.000 -18.703 0.063) 18.703 13.820 ( -0.000 -11.499 0.210) 11.500 14.707 ( 0.000 -0.546 -18.201) 18.209 16.848 ( -0.000 -16.953 0.073) 16.953 18.253 ( 0.000 9.448 0.019) 9.448 18.515 ( 0.000 16.860 -0.990) 16.889 19.560 ( -0.000 -24.199 9.433) 25.973 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 4.003 28.391 -1.249) 28.699 2.803 ( 7.687 19.988 6.202) 22.295 2.848 ( 2.462 5.322 -4.361) 7.308 3.302 ( 9.018 12.885 -8.031) 17.659 4.289 ( 4.601 27.606 16.093) 32.284 4.897 ( -1.481 -3.248 1.145) 3.749 5.056 ( -0.069 15.191 -8.506) 17.410 5.201 ( 8.280 25.544 1.200) 26.879 6.136 ( 2.026 6.082 0.756) 6.456 6.212 ( 1.859 4.437 -0.152) 4.813 6.832 ( 8.115 23.335 8.472) 26.118 7.604 ( -6.420 1.335 -4.177) 7.775 8.122 ( -3.073 2.363 -11.156) 11.810 8.616 ( 5.805 4.747 0.796) 7.541 9.152 ( 6.770 8.102 1.691) 10.693 9.686 ( 5.926 6.795 12.780) 15.640 11.319 ( 1.400 22.005 -7.591) 23.319 11.871 ( -5.405 -18.421 0.185) 19.198 13.693 ( -1.416 -11.934 0.734) 12.041 14.641 ( -1.700 -2.563 -12.980) 13.340 16.691 ( 2.473 -19.353 0.088) 19.510 18.115 ( -17.793 7.262 -0.043) 19.218 18.874 ( 15.399 14.211 -0.148) 20.955 19.300 ( -5.267 -20.223 6.242) 21.810 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 1.820 3.166 -1.805) 4.074 2.971 ( 10.804 24.561 -2.163) 26.920 3.215 ( 9.671 21.476 0.164) 23.554 3.630 ( 13.805 14.184 -2.890) 20.003 4.577 ( -1.762 3.488 11.228) 11.889 4.776 ( -0.842 3.149 -0.399) 3.284 5.281 ( 5.171 18.351 -2.380) 19.213 5.654 ( 11.529 26.591 4.074) 29.268 6.086 ( -2.678 -4.413 -2.892) 5.917 6.317 ( 3.843 2.741 -3.267) 5.741 7.302 ( 12.369 18.586 8.114) 23.754 7.456 ( -5.486 -7.321 3.725) 9.877 8.097 ( -0.927 12.217 -17.370) 21.257 8.841 ( 9.306 10.545 4.706) 14.830 9.369 ( 5.804 9.666 -0.122) 11.275 9.830 ( 3.857 -0.967 8.890) 9.739 11.539 ( 0.306 -0.092 -2.098) 2.122 11.653 ( -0.256 9.631 -3.894) 10.392 13.531 ( -3.552 -12.216 1.051) 12.765 14.549 ( -2.757 -2.846 -8.276) 9.176 16.521 ( -0.671 -19.113 0.159) 19.125 17.869 ( -14.213 0.630 0.045) 14.227 19.002 ( -6.705 -16.006 4.162) 17.846 19.271 ( 11.661 13.203 -0.228) 17.616 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 2.313 2.809 0.579) 3.684 3.421 ( 15.280 19.564 -2.411) 24.941 3.561 ( 6.531 19.824 -2.990) 21.085 4.023 ( 12.932 16.167 -0.746) 20.716 4.367 ( -8.891 -12.632 2.289) 15.616 4.951 ( 4.563 10.959 2.645) 12.162 5.549 ( 5.543 13.521 5.462) 15.601 5.986 ( -2.007 -3.821 -4.864) 6.503 6.124 ( 12.519 21.804 6.711) 26.023 6.404 ( 3.702 4.072 -4.122) 6.876 7.226 ( -5.598 -12.129 -5.080) 14.292 7.598 ( 5.062 4.011 1.741) 6.689 8.337 ( 8.216 22.449 -1.483) 23.951 9.143 ( 12.600 6.953 10.965) 18.092 9.467 ( -6.237 9.651 -5.116) 12.578 9.859 ( 3.030 -5.086 -0.493) 5.941 11.396 ( -2.547 -6.840 1.310) 7.416 12.000 ( 10.940 25.967 -3.953) 28.454 13.334 ( -4.488 -13.212 0.598) 13.966 14.463 ( -2.237 -2.176 -4.642) 5.594 16.266 ( -9.074 -15.226 0.309) 17.727 17.657 ( -5.113 -9.094 0.018) 10.433 18.742 ( -7.074 -12.331 2.312) 14.402 19.571 ( 7.450 12.966 0.003) 14.954 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 3.145 1.967 1.642) 4.057 3.821 ( 2.615 17.425 -2.282) 17.768 3.845 ( 11.438 14.329 -1.260) 18.378 4.035 ( -6.326 -12.522 0.959) 14.062 4.454 ( 9.334 20.340 -3.283) 22.619 5.128 ( 7.258 3.486 3.092) 8.625 5.692 ( -2.425 3.939 7.647) 8.937 5.963 ( 4.760 -1.391 -6.060) 7.831 6.476 ( 2.920 8.092 -0.262) 8.606 6.567 ( 10.768 10.911 12.059) 19.505 7.019 ( -4.326 -4.189 -14.905) 16.076 7.691 ( 5.374 0.318 -4.321) 6.903 8.649 ( -1.283 18.824 9.878) 21.297 9.230 ( -2.789 -14.696 3.049) 15.266 9.599 ( 9.490 22.314 1.324) 24.284 9.823 ( -0.203 -6.572 -5.088) 8.314 11.355 ( -2.316 5.877 0.037) 6.317 12.473 ( 14.479 23.093 -0.503) 27.261 13.118 ( -3.491 -15.491 -1.841) 15.986 14.421 ( 0.285 -0.770 -1.995) 2.157 15.914 ( -16.705 -9.549 0.462) 19.247 17.506 ( 3.743 -19.001 -0.136) 19.367 18.528 ( -5.715 -8.791 1.242) 10.559 19.789 ( 2.848 12.771 0.029) 13.085 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 4.662 0.956 2.257) 5.267 3.723 ( -7.963 -12.685 2.499) 15.184 3.990 ( -1.447 15.203 -2.192) 15.428 4.213 ( 7.167 14.894 0.219) 16.530 4.766 ( 5.158 16.787 -7.804) 19.217 5.305 ( 11.123 -1.084 4.743) 12.140 5.646 ( -3.806 -0.504 4.784) 6.134 6.018 ( 2.509 -2.355 -2.198) 4.083 6.520 ( 0.245 -4.655 1.791) 4.994 6.800 ( -0.193 11.363 3.886) 12.011 7.041 ( 8.583 6.807 -5.702) 12.350 7.804 ( 8.223 2.021 -9.880) 13.012 8.603 ( -19.446 6.297 3.486) 20.735 9.106 ( 0.963 -3.660 2.037) 4.298 9.643 ( -4.867 -13.325 2.533) 14.411 10.088 ( 16.156 19.970 4.603) 26.096 11.400 ( -6.199 16.127 -0.781) 17.295 12.857 ( 1.213 -3.329 -7.145) 7.976 12.956 ( 10.546 0.023 2.290) 10.791 14.464 ( 4.468 2.163 -0.381) 4.979 15.524 ( -19.889 -3.643 0.529) 20.227 17.399 ( 10.073 -26.095 -0.349) 27.974 18.376 ( -3.522 -5.780 0.714) 6.806 19.929 ( -1.293 12.550 0.007) 12.617 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 4.936 -0.918 2.822) 5.760 3.503 ( -3.532 -9.955 2.488) 10.852 4.068 ( -5.291 13.063 -1.510) 14.174 4.418 ( -2.475 17.137 1.666) 17.395 4.911 ( 1.219 5.017 -9.882) 11.150 5.492 ( 10.125 -3.552 2.432) 11.002 5.627 ( -0.242 3.104 7.089) 7.742 5.978 ( -1.671 -5.521 -0.068) 5.769 6.421 ( -2.734 -7.665 -3.247) 8.761 6.919 ( -3.054 16.327 1.716) 16.698 7.263 ( 11.212 0.204 3.072) 11.627 7.940 ( 6.209 0.862 -14.105) 15.435 8.288 ( -18.577 5.384 -4.318) 19.818 9.112 ( -2.270 0.799 6.546) 6.974 9.427 ( -3.056 -12.900 4.493) 13.998 10.541 ( 11.007 16.396 9.883) 22.083 11.431 ( -10.860 19.654 -0.782) 22.468 12.672 ( 0.974 -17.396 -12.303) 21.329 13.215 ( 8.164 2.381 3.605) 9.237 14.601 ( 6.101 3.463 0.102) 7.016 15.199 ( -15.822 4.532 0.514) 16.466 17.336 ( 14.729 -29.006 -0.494) 32.535 18.294 ( -0.777 -3.292 0.551) 3.427 19.997 ( -4.853 11.769 -0.009) 12.731 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -3.249 -6.418 3.004) 7.796 3.502 ( 9.641 -2.249 2.258) 10.154 4.061 ( -9.130 10.968 -1.116) 14.315 4.479 ( -10.093 16.276 1.719) 19.229 4.879 ( -4.174 -1.510 -10.108) 11.039 5.539 ( 2.115 -8.444 0.639) 8.728 5.696 ( -1.204 1.556 10.869) 11.045 5.898 ( 0.567 -3.009 -2.844) 4.179 6.311 ( -0.285 -5.809 -1.377) 5.977 6.967 ( -10.947 13.709 1.198) 17.585 7.437 ( 10.187 -4.204 1.650) 11.143 7.874 ( -5.108 -3.078 -11.928) 13.336 8.185 ( -3.996 11.593 -7.110) 14.174 9.007 ( -9.252 -4.313 11.115) 15.091 9.403 ( 7.839 -1.889 3.234) 8.688 10.749 ( -4.290 5.564 8.076) 10.704 11.428 ( -11.839 19.569 -0.757) 22.884 12.560 ( 8.573 -13.138 -10.746) 19.015 13.263 ( -2.818 -3.894 1.893) 5.166 14.622 ( -3.914 -3.176 -0.203) 5.045 15.197 ( 3.850 15.911 0.550) 16.379 17.333 ( 17.574 -27.302 -0.451) 32.472 18.286 ( 2.330 -1.369 0.653) 2.780 19.997 ( -7.813 10.082 -0.003) 12.755 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 0.000 18.125 -7.778) 19.723 2.894 ( -0.000 18.022 2.133) 18.148 2.922 ( -0.000 18.337 6.262) 19.377 3.325 ( 0.000 11.876 -5.944) 13.280 4.556 ( -0.000 23.143 13.826) 26.958 4.851 ( -0.000 -7.585 0.487) 7.600 5.227 ( 0.000 19.676 -8.385) 21.388 5.389 ( 0.000 29.143 -2.716) 29.269 6.156 ( 0.000 -0.676 -0.231) 0.714 6.216 ( -0.000 0.726 4.281) 4.342 7.061 ( -0.000 27.877 10.982) 29.962 7.668 ( 0.000 -2.597 -2.420) 3.549 8.151 ( 0.000 0.288 -3.656) 3.668 8.552 ( 0.000 6.805 -17.957) 19.203 9.167 ( -0.000 7.990 1.682) 8.165 9.797 ( -0.000 11.724 22.217) 25.120 11.516 ( 0.000 23.405 -9.784) 25.368 11.722 ( -0.000 -19.892 0.090) 19.892 13.586 ( -0.000 -12.065 2.129) 12.251 14.604 ( 0.000 -2.437 -10.806) 11.077 16.457 ( -0.000 -21.463 -0.015) 21.463 18.443 ( 0.000 9.255 0.021) 9.255 18.787 ( 0.000 9.990 0.013) 9.990 19.157 ( -0.000 -18.706 4.573) 19.257 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -0.014 5.988 -1.452) 6.161 3.102 ( 1.921 20.416 2.241) 20.628 3.271 ( 8.135 24.314 -3.034) 25.817 3.532 ( 10.968 12.254 -1.120) 16.484 4.615 ( -4.084 -11.310 4.662) 12.897 4.906 ( -0.146 19.797 2.888) 20.007 5.412 ( 1.196 18.424 -3.923) 18.875 5.735 ( 6.773 25.098 -2.857) 26.153 6.118 ( -1.940 -0.536 1.391) 2.447 6.271 ( 3.289 2.210 1.623) 4.282 7.333 ( 2.811 7.741 5.687) 10.008 7.533 ( -7.198 -1.985 5.636) 9.355 8.177 ( 2.628 7.366 -9.951) 12.656 8.713 ( 9.448 9.508 -8.477) 15.859 9.329 ( 7.903 9.354 -1.424) 12.328 9.928 ( -3.451 9.058 18.207) 20.627 11.485 ( -3.474 -16.272 -0.233) 16.640 11.774 ( 3.916 23.467 -9.011) 25.441 13.458 ( -1.812 -12.096 3.478) 12.716 14.547 ( -1.707 -1.774 -7.890) 8.265 16.266 ( 3.141 -22.515 -0.083) 22.733 18.253 ( -22.411 6.186 0.044) 23.249 18.929 ( -1.874 -14.814 3.241) 15.280 19.134 ( 15.665 7.820 -0.033) 17.508 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 0.211 5.357 0.947) 5.444 3.392 ( 9.334 16.917 1.153) 19.356 3.621 ( 8.049 19.727 -6.383) 22.241 3.921 ( 15.819 15.541 2.645) 22.333 4.373 ( -7.537 -14.804 0.423) 16.617 5.083 ( -1.997 16.341 0.652) 16.475 5.621 ( 3.924 14.372 1.556) 14.979 5.921 ( -0.278 -2.528 -2.238) 3.388 6.251 ( 5.180 23.164 4.916) 24.240 6.373 ( 4.340 4.816 -2.318) 6.885 7.181 ( -5.802 -14.212 -2.595) 15.568 7.598 ( 1.445 5.470 3.511) 6.659 8.385 ( 9.915 15.432 -4.936) 18.995 8.942 ( 10.301 -0.920 8.097) 13.134 9.569 ( 7.347 10.930 -7.466) 15.139 9.926 ( -8.699 7.091 6.289) 12.865 11.316 ( 1.020 -10.803 1.238) 10.922 12.105 ( 7.227 26.596 -6.981) 28.431 13.287 ( -4.585 -12.819 4.271) 14.269 14.480 ( -2.646 -0.920 -4.925) 5.666 16.100 ( 3.196 -22.371 -0.070) 22.598 17.889 ( -22.818 1.009 0.140) 22.841 18.723 ( -4.804 -12.781 1.946) 13.792 19.493 ( 14.119 8.955 0.002) 16.720 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 0.418 4.299 1.407) 4.543 3.753 ( 13.810 13.294 1.034) 19.197 3.911 ( 5.267 13.676 -4.393) 15.299 4.056 ( -8.539 -8.830 -1.203) 12.342 4.400 ( 16.486 14.406 2.111) 21.995 5.168 ( -3.123 10.301 -0.970) 10.808 5.810 ( -2.107 7.334 9.098) 11.875 5.844 ( 3.600 -4.016 -7.252) 9.038 6.486 ( 2.365 4.314 -0.488) 4.944 6.595 ( 6.416 17.962 10.165) 21.613 6.989 ( -1.192 -5.015 -13.351) 14.312 7.642 ( 0.689 1.289 0.229) 1.480 8.744 ( 13.017 12.422 1.122) 18.028 9.040 ( 4.562 -12.891 15.918) 20.985 9.720 ( 1.327 2.894 -3.358) 4.627 9.856 ( -7.385 15.621 -10.056) 19.992 11.340 ( 7.405 0.396 1.334) 7.535 12.507 ( 9.421 25.173 -3.696) 27.131 13.060 ( -6.842 -14.393 3.532) 16.324 14.426 ( -1.760 0.342 -2.465) 3.048 15.919 ( -0.228 -19.040 0.029) 19.041 17.503 ( -18.158 -6.449 0.136) 19.270 18.530 ( -4.798 -9.338 0.988) 10.545 19.789 ( 9.634 8.840 0.025) 13.075 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 1.319 2.948 1.276) 3.473 3.737 ( -8.436 -13.489 0.706) 15.925 4.112 ( 10.370 10.447 1.513) 14.798 4.176 ( 5.364 17.292 -4.702) 18.706 4.819 ( 12.434 15.529 0.076) 19.894 5.188 ( -1.201 2.327 -0.159) 2.623 5.725 ( -3.988 -1.799 1.901) 4.770 5.950 ( 3.163 1.073 -0.503) 3.378 6.491 ( -1.591 -4.680 3.937) 6.319 6.864 ( 6.767 11.321 5.376) 14.243 7.008 ( 2.251 8.575 -11.559) 14.567 7.698 ( 4.550 2.801 -2.060) 5.727 8.886 ( -5.763 -16.313 6.154) 18.363 9.022 ( 3.633 9.596 5.117) 11.466 9.607 ( -5.300 -11.049 -0.641) 12.271 10.085 ( 9.069 25.381 -6.176) 27.651 11.545 ( 7.084 11.394 0.012) 13.417 12.777 ( -5.112 -16.796 1.689) 17.638 12.877 ( 6.087 15.431 -1.823) 16.688 14.437 ( 1.765 3.481 -0.773) 3.979 15.717 ( -5.887 -9.879 0.161) 11.501 17.145 ( -9.387 -16.580 -0.039) 19.053 18.379 ( -3.674 -6.278 0.455) 7.288 20.004 ( 4.985 8.629 0.013) 9.966 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 2.970 1.570 1.395) 3.637 3.485 ( -6.049 -11.346 1.086) 12.903 4.274 ( -2.401 13.182 -1.134) 13.447 4.487 ( 10.711 11.895 -0.175) 16.008 5.022 ( -6.903 11.021 -5.213) 14.010 5.259 ( 12.496 -4.324 3.110) 13.584 5.684 ( -1.149 2.241 3.134) 4.020 5.952 ( -0.925 -3.735 -0.386) 3.867 6.401 ( -2.617 -5.575 -0.684) 6.197 7.086 ( 2.088 11.394 0.371) 11.590 7.124 ( 6.497 5.779 0.808) 8.733 7.827 ( 5.748 2.986 -5.947) 8.794 8.593 ( -13.706 -4.106 -2.473) 14.521 9.127 ( 1.690 -0.051 7.179) 7.375 9.380 ( -5.780 -12.323 0.540) 13.622 10.553 ( 13.392 25.334 1.921) 28.720 11.729 ( -2.174 13.082 -0.959) 13.296 12.517 ( -4.199 -13.775 -4.371) 15.049 13.062 ( 6.759 -1.988 1.736) 7.256 14.550 ( 4.780 5.613 -0.049) 7.373 15.539 ( -11.901 6.238 0.266) 13.440 16.866 ( 3.170 -26.714 -0.313) 26.903 18.282 ( -1.782 -3.737 0.262) 4.148 20.134 ( 0.516 7.851 0.002) 7.868 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( -0.871 -2.108 2.165) 3.145 3.350 ( 3.281 -5.690 0.907) 6.631 4.313 ( -6.779 11.121 -0.718) 13.044 4.745 ( 3.716 13.295 1.310) 13.867 4.907 ( -8.882 0.098 -6.540) 11.030 5.395 ( 6.031 -6.177 1.299) 8.730 5.736 ( 1.298 2.877 5.083) 5.983 5.869 ( -1.843 -4.471 -1.180) 4.977 6.300 ( -3.127 -2.844 -1.031) 4.351 7.205 ( 8.730 -3.188 1.412) 9.400 7.283 ( -5.480 16.021 0.356) 16.937 7.848 ( 0.259 -4.910 -6.307) 7.997 8.408 ( -8.727 8.717 -6.278) 13.840 9.080 ( -4.549 -8.783 9.510) 13.721 9.270 ( 4.762 -4.074 2.482) 6.740 10.936 ( -1.437 19.223 3.977) 19.683 11.736 ( -2.734 5.239 -2.856) 6.563 12.355 ( -3.712 -3.450 -5.609) 7.559 13.126 ( 8.854 -11.426 1.999) 14.593 14.640 ( 0.335 0.236 -0.004) 0.409 15.461 ( -11.580 19.982 0.305) 23.097 16.752 ( 16.251 -28.173 -0.436) 32.527 18.245 ( 0.634 -1.803 0.314) 1.937 20.178 ( -3.569 6.156 0.002) 7.116 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 0.000 7.390 -0.332) 7.398 3.252 ( 0.000 13.233 1.344) 13.301 3.485 ( 0.000 29.792 -1.006) 29.809 3.524 ( 0.000 9.230 -0.928) 9.276 4.525 ( -0.000 -14.646 1.091) 14.687 5.128 ( 0.000 20.632 2.048) 20.734 5.558 ( 0.000 14.211 -4.403) 14.878 5.946 ( 0.000 27.325 -6.726) 28.141 6.113 ( -0.000 -1.192 1.456) 1.882 6.283 ( -0.000 4.015 7.441) 8.456 7.325 ( -0.000 -9.668 2.618) 10.016 7.632 ( -0.000 4.016 5.416) 6.742 8.105 ( 0.000 -3.642 -2.783) 4.583 8.804 ( 0.000 23.042 -10.803) 25.449 9.339 ( -0.000 8.358 1.121) 8.432 10.102 ( -0.000 9.948 13.401) 16.690 11.334 ( -0.000 -18.540 0.107) 18.540 11.956 ( 0.000 24.708 -10.673) 26.915 13.371 ( -0.000 -10.897 6.369) 12.622 14.537 ( 0.000 -0.138 -6.702) 6.703 16.009 ( -0.000 -22.700 -0.272) 22.701 18.616 ( 0.000 7.866 0.015) 7.866 18.797 ( -0.000 -12.123 2.034) 12.292 18.974 ( -0.000 2.329 0.363) 2.357 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -1.103 7.660 0.707) 7.772 3.419 ( 4.851 11.691 1.245) 12.719 3.650 ( 5.492 11.678 -3.503) 13.372 3.872 ( 10.475 22.324 2.484) 24.784 4.334 ( -4.807 -14.447 -0.915) 15.254 5.296 ( -2.552 16.404 -1.092) 16.638 5.679 ( 1.850 8.243 -3.551) 9.164 6.005 ( -6.763 5.260 1.438) 8.688 6.298 ( 8.071 10.429 -5.704) 14.368 6.412 ( 4.168 16.254 8.698) 18.900 7.131 ( -5.666 -15.792 -1.041) 16.810 7.662 ( -1.684 4.485 4.429) 6.525 8.197 ( 14.131 -3.994 -2.519) 14.899 8.973 ( -3.144 14.347 3.725) 15.153 9.511 ( 8.271 9.296 -1.469) 12.530 10.167 ( -5.817 10.241 0.884) 11.811 11.167 ( 1.550 -14.438 0.394) 14.526 12.231 ( 5.618 24.671 -8.993) 26.853 13.256 ( -3.307 -10.341 8.728) 13.930 14.512 ( -1.992 1.279 -4.821) 5.371 15.808 ( 2.866 -22.597 -0.379) 22.782 18.355 ( -25.829 3.885 0.110) 26.119 18.664 ( -2.305 -11.726 1.410) 12.034 19.269 ( 19.359 5.118 0.094) 20.024 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -1.735 6.743 0.555) 6.984 3.660 ( 10.127 9.625 1.655) 14.069 3.886 ( 7.666 6.485 -3.398) 10.600 4.093 ( -3.797 -9.718 -2.643) 10.763 4.292 ( 11.883 18.810 4.204) 22.643 5.365 ( -5.189 12.266 -3.021) 13.657 5.746 ( 1.977 -0.963 -6.405) 6.772 5.959 ( -4.971 5.807 7.350) 10.604 6.475 ( 5.334 6.283 -2.193) 8.529 6.694 ( 2.359 9.954 12.465) 16.125 6.933 ( 0.159 -0.385 -12.854) 12.861 7.678 ( -1.607 2.550 4.040) 5.040 8.437 ( 18.966 -8.713 -0.410) 20.876 9.021 ( -1.807 4.032 10.930) 11.789 9.701 ( 3.172 2.388 2.550) 4.719 10.146 ( -7.874 16.449 -14.909) 23.555 11.156 ( 9.718 -5.751 1.022) 11.339 12.589 ( 8.741 22.901 -5.898) 25.212 13.080 ( -7.472 -9.845 9.382) 15.517 14.477 ( -2.966 2.457 -2.819) 4.773 15.647 ( 4.473 -22.167 -0.369) 22.617 17.902 ( -28.139 0.072 0.261) 28.141 18.512 ( -3.385 -8.798 0.648) 9.449 19.635 ( 16.165 5.322 0.051) 17.019 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -1.724 5.256 -0.229) 5.536 3.748 ( -7.951 -12.925 -1.034) 15.210 3.961 ( 13.857 7.082 1.646) 15.649 4.245 ( 8.566 13.460 -4.272) 16.517 4.679 ( 13.825 10.687 5.360) 18.278 5.356 ( -7.558 9.325 -3.125) 12.404 5.717 ( 0.338 -3.311 -5.675) 6.579 5.969 ( -1.921 2.919 5.279) 6.331 6.501 ( -3.884 -4.646 4.520) 7.557 6.815 ( 9.785 5.033 1.120) 11.060 7.073 ( 0.986 14.916 -9.711) 17.826 7.700 ( 0.144 4.336 5.436) 6.955 8.588 ( 12.605 -18.826 5.469) 23.306 9.101 ( 3.228 5.468 2.803) 6.941 9.624 ( -7.466 -8.380 3.176) 11.664 10.241 ( 0.255 23.903 -15.389) 28.430 11.389 ( 17.233 2.819 0.833) 17.482 12.760 ( -7.246 -10.238 6.899) 14.314 12.987 ( 1.038 15.992 -2.246) 16.182 14.469 ( -0.854 4.990 -1.128) 5.187 15.530 ( 6.626 -19.001 -0.272) 20.125 17.395 ( -27.586 -4.434 0.320) 27.942 18.380 ( -3.335 -5.887 0.163) 6.768 19.929 ( 11.527 5.148 0.021) 12.625 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( -0.548 3.656 -0.482) 3.728 3.490 ( -7.252 -10.737 -0.558) 12.969 4.266 ( 13.129 4.651 1.090) 13.971 4.493 ( 4.112 15.178 -2.028) 15.855 4.989 ( 14.081 -0.932 4.761) 14.894 5.279 ( -9.851 8.289 -2.999) 13.219 5.704 ( 0.839 0.815 -2.794) 3.029 5.946 ( -2.032 -2.527 1.521) 3.582 6.390 ( -2.503 -5.583 2.379) 6.565 7.093 ( 9.117 9.587 -1.554) 13.320 7.136 ( -0.349 7.171 -2.699) 7.670 7.796 ( 2.149 5.243 3.507) 6.664 8.567 ( 4.979 -14.937 5.146) 16.565 9.161 ( -2.361 2.504 -3.066) 4.609 9.383 ( -7.771 -10.257 -0.417) 12.875 10.577 ( 12.481 25.099 -5.270) 28.522 11.725 ( 12.475 4.234 0.497) 13.183 12.485 ( -7.018 -11.841 5.197) 14.713 13.075 ( -6.078 5.289 -2.150) 8.339 14.550 ( 2.386 6.960 -0.206) 7.361 15.540 ( 11.263 -7.144 -0.175) 13.338 16.864 ( -24.612 -10.695 0.246) 26.837 18.283 ( -2.407 -3.374 -0.027) 4.145 20.134 ( 6.543 4.372 0.004) 7.869 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 1.526 2.644 -0.000) 3.053 3.292 ( -4.500 -7.795 -0.000) 9.001 4.459 ( 2.519 4.364 -0.000) 5.039 4.707 ( 6.164 10.676 -0.000) 12.328 5.076 ( -2.455 -4.253 -0.000) 4.911 5.258 ( 1.882 3.260 0.000) 3.765 5.742 ( 1.619 2.805 -0.000) 3.239 5.862 ( -2.949 -5.108 -0.000) 5.898 6.320 ( -1.369 -2.372 -0.000) 2.739 7.101 ( -0.268 -0.465 -0.000) 0.537 7.441 ( 9.541 16.525 -0.000) 19.081 7.795 ( -3.674 -6.364 -0.000) 7.349 8.539 ( 0.352 0.609 0.000) 0.704 9.087 ( -3.133 -5.427 0.000) 6.266 9.188 ( -3.688 -6.387 -0.000) 7.376 11.100 ( 15.571 26.970 -0.000) 31.142 11.682 ( -9.116 -15.789 -0.000) 18.232 12.509 ( 6.540 11.328 -0.000) 13.080 12.895 ( -7.106 -12.307 -0.000) 14.211 14.634 ( 1.246 2.159 -0.000) 2.493 15.788 ( 9.476 16.412 -0.000) 18.951 16.353 ( -12.942 -22.416 -0.000) 25.884 18.231 ( -0.832 -1.441 -0.000) 1.664 20.240 ( 1.545 2.676 -0.000) 3.091 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 0.000 8.877 0.383) 8.885 3.474 ( 0.000 8.995 -0.972) 9.048 3.677 ( -0.000 5.881 1.099) 5.982 4.004 ( 0.000 16.286 1.403) 16.346 4.253 ( 0.000 -6.727 -1.263) 6.844 5.465 ( 0.000 12.954 -3.466) 13.409 5.721 ( 0.000 4.565 -3.633) 5.834 6.152 ( -0.000 2.954 3.436) 4.531 6.280 ( 0.000 7.985 -4.398) 9.116 6.567 ( -0.000 21.610 4.862) 22.150 7.027 ( -0.000 -15.392 0.044) 15.392 7.739 ( -0.000 3.350 5.991) 6.864 7.976 ( 0.000 -8.321 -1.661) 8.485 9.199 ( -0.000 13.408 6.916) 15.087 9.500 ( 0.000 7.105 0.512) 7.124 10.312 ( 0.000 10.771 -9.065) 14.078 10.997 ( -0.000 -14.703 0.095) 14.703 12.390 ( 0.000 21.972 -8.881) 23.699 13.220 ( -0.000 -7.960 12.631) 14.930 14.545 ( 0.000 3.230 -3.978) 5.125 15.565 ( -0.000 -20.836 -0.628) 20.845 18.573 ( -0.000 -9.664 0.690) 9.689 18.753 ( 0.000 5.665 0.000) 5.665 19.013 ( -0.000 0.676 0.350) 0.761 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -2.420 8.589 -0.337) 8.930 3.605 ( 5.804 6.762 -0.118) 8.912 3.797 ( 7.049 4.609 -0.483) 8.436 4.001 ( -0.781 -12.224 -1.893) 12.394 4.367 ( 4.418 18.431 3.859) 19.342 5.539 ( -2.720 9.242 -5.255) 10.973 5.735 ( -1.418 1.378 -3.785) 4.270 6.116 ( -5.656 3.112 3.741) 7.461 6.413 ( 7.076 5.009 -1.749) 8.844 6.773 ( -4.579 -1.538 8.238) 9.550 6.922 ( 5.191 11.630 -7.080) 14.572 7.752 ( -2.075 2.681 7.722) 8.434 8.031 ( 14.491 -10.902 -0.061) 18.134 9.187 ( -9.328 3.227 8.607) 13.096 9.656 ( 6.158 3.455 3.003) 7.673 10.363 ( -3.707 14.011 -19.275) 24.116 10.927 ( 7.197 -9.329 0.092) 11.783 12.637 ( 6.751 17.712 -6.170) 19.934 13.141 ( -4.679 -5.487 14.117) 15.852 14.555 ( -2.318 4.443 -2.655) 5.671 15.380 ( 1.690 -19.281 -0.750) 19.369 18.408 ( -26.788 1.246 0.048) 26.817 18.479 ( -3.335 -6.911 0.346) 7.681 19.344 ( 21.522 2.460 0.135) 21.663 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( -3.694 7.023 -1.619) 8.098 3.743 ( -5.187 -10.640 -2.352) 12.068 3.809 ( 9.718 3.648 1.101) 10.439 4.100 ( 15.015 4.704 -2.046) 15.867 4.649 ( 6.855 12.917 6.810) 16.131 5.552 ( -4.557 8.399 -4.687) 10.643 5.687 ( -2.161 -1.036 -5.445) 5.949 6.057 ( -4.397 0.347 3.488) 5.623 6.551 ( -4.573 -2.417 3.473) 6.230 6.658 ( 9.202 -0.798 -0.204) 9.239 7.192 ( 3.303 17.692 -6.204) 19.037 7.779 ( -1.103 4.805 10.889) 11.953 8.171 ( 15.225 -16.060 2.521) 22.273 9.102 ( -1.617 0.199 3.710) 4.052 9.668 ( -4.396 -6.193 2.332) 7.944 10.434 ( -1.238 18.888 -20.335) 27.781 11.080 ( 16.958 -2.662 0.379) 17.169 12.816 ( -3.209 -2.213 7.578) 8.521 13.099 ( 1.206 9.963 2.329) 10.302 14.556 ( -2.531 6.229 -1.310) 6.850 15.235 ( 3.786 -17.775 -0.636) 18.185 17.897 ( -31.140 -0.474 0.355) 31.145 18.378 ( -2.533 -4.690 -0.201) 5.334 19.712 ( 17.647 2.450 0.053) 17.817 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( -3.520 4.146 -2.310) 5.909 3.518 ( -7.252 -8.078 -1.961) 11.031 4.058 ( 13.938 2.128 1.405) 14.169 4.432 ( 16.146 6.410 -2.452) 17.544 4.850 ( 4.371 3.161 8.283) 9.884 5.505 ( -8.371 5.895 -1.811) 10.398 5.675 ( 2.266 2.303 -7.270) 7.955 5.973 ( -3.981 -3.650 1.526) 5.613 6.398 ( -4.814 -6.221 3.855) 8.760 6.932 ( 15.743 5.622 -2.046) 16.841 7.288 ( -6.238 9.439 -4.222) 12.076 7.856 ( -0.455 5.278 10.963) 12.176 8.256 ( 13.196 -14.258 5.447) 20.177 9.147 ( 4.105 -0.358 -4.219) 5.897 9.450 ( -10.036 -7.860 -2.400) 12.972 10.614 ( 5.639 17.445 -11.815) 21.811 11.426 ( 22.248 0.381 0.731) 22.264 12.592 ( -13.977 -8.392 11.704) 20.069 13.237 ( -2.035 7.984 -2.982) 8.762 14.602 ( -0.152 6.925 -0.322) 6.934 15.202 ( 11.725 -11.428 -0.412) 16.378 17.333 ( -32.488 -1.760 0.444) 32.538 18.297 ( -2.537 -2.271 -0.360) 3.424 19.997 ( 12.627 1.682 0.013) 12.739 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( 0.000 9.231 -1.162) 9.304 3.607 ( 0.000 4.714 -1.397) 4.916 3.768 ( -0.000 2.765 1.220) 3.022 3.878 ( 0.000 -12.513 -2.797) 12.821 4.502 ( -0.000 14.254 5.374) 15.233 5.616 ( 0.000 5.100 -7.081) 8.727 5.773 ( 0.000 2.730 -1.181) 2.974 6.190 ( -0.000 -0.964 0.195) 0.984 6.376 ( 0.000 3.518 -0.611) 3.571 6.798 ( -0.000 -6.963 0.950) 7.028 7.019 ( 0.000 20.600 1.196) 20.634 7.760 ( -0.000 -12.357 -0.992) 12.396 7.840 ( -0.000 3.138 12.452) 12.842 9.332 ( -0.000 -3.428 8.608) 9.265 9.617 ( 0.000 4.143 0.229) 4.150 10.478 ( 0.000 12.883 -23.541) 26.835 10.762 ( -0.000 -8.385 0.010) 8.385 12.712 ( 0.000 11.968 -4.531) 12.797 13.175 ( -0.000 -2.844 16.236) 16.484 14.619 ( 0.000 4.974 -1.802) 5.290 15.197 ( -0.000 -14.522 -1.186) 14.571 18.425 ( -0.000 -5.182 -0.334) 5.193 18.840 ( 0.000 2.953 -0.017) 2.953 19.012 ( -0.000 -0.642 0.415) 0.764 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( -3.962 6.701 -2.359) 8.134 3.687 ( 4.369 0.643 -1.156) 4.565 3.727 ( -1.897 -7.258 -2.306) 7.848 3.894 ( 10.634 1.453 0.125) 10.733 4.672 ( 4.658 8.067 7.420) 11.909 5.634 ( -0.643 4.061 -7.714) 8.741 5.759 ( -4.236 2.152 -0.643) 4.794 6.125 ( -4.009 -2.738 -0.808) 4.921 6.482 ( 8.390 2.074 -0.820) 8.681 6.661 ( -8.574 -4.443 3.099) 10.142 7.274 ( 5.663 16.682 -2.118) 17.744 7.748 ( 11.524 -10.987 1.218) 15.969 7.900 ( -0.044 1.597 15.281) 15.364 9.186 ( -8.240 -5.386 2.932) 10.272 9.662 ( -0.367 -2.199 -0.429) 2.270 10.552 ( 0.688 13.019 -22.659) 26.142 10.795 ( 10.791 -3.870 -0.314) 11.468 12.831 ( 2.869 2.944 2.600) 4.864 13.171 ( -1.434 1.262 11.083) 11.247 14.650 ( -1.458 4.837 -0.781) 5.112 15.069 ( -0.575 -9.566 -1.353) 9.678 18.369 ( -2.426 -2.628 -0.733) 3.651 18.434 ( -28.644 0.039 0.361) 28.646 19.375 ( 22.698 0.679 0.129) 22.708 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( -5.056 -0.711 -3.282) 6.069 3.580 ( -5.770 -0.504 -2.935) 6.493 3.850 ( 10.951 -0.335 0.709) 10.979 4.156 ( 17.053 1.324 -0.921) 17.129 4.828 ( 4.871 0.907 9.519) 10.731 5.657 ( 0.874 3.281 -8.803) 9.435 5.678 ( -6.863 2.209 -0.518) 7.228 6.008 ( -4.693 -4.768 -0.576) 6.715 6.464 ( -8.378 -4.713 3.250) 10.147 6.695 ( 13.915 1.318 -1.177) 14.026 7.460 ( -0.973 10.376 -3.973) 11.153 7.880 ( 11.117 -12.426 5.107) 17.438 7.957 ( 2.683 5.961 15.538) 16.857 9.055 ( 0.423 -5.573 -2.685) 6.201 9.541 ( -7.755 -3.524 -4.616) 9.688 10.654 ( 2.575 9.026 -16.530) 19.009 11.046 ( 19.776 -0.361 0.330) 19.782 12.784 ( -9.616 -3.394 13.051) 16.563 13.246 ( 4.910 1.413 -0.257) 5.115 14.664 ( -1.159 1.438 -0.065) 1.848 15.012 ( 2.151 -0.058 -1.034) 2.387 17.892 ( -32.120 -0.116 0.389) 32.122 18.323 ( -2.132 -0.577 -0.736) 2.328 19.736 ( 18.197 -0.041 0.042) 18.197 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 0.000 -0.475 -2.668) 2.710 3.646 ( 0.000 -0.345 -1.386) 1.428 3.692 ( 0.000 -0.182 -3.249) 3.254 3.804 ( -0.000 0.429 1.093) 1.174 4.692 ( -0.000 1.219 7.870) 7.963 5.658 ( 0.000 3.179 -7.403) 8.057 5.814 ( -0.000 0.521 0.445) 0.685 6.121 ( 0.000 -4.130 -3.818) 5.625 6.416 ( -0.000 0.391 0.137) 0.414 6.744 ( -0.000 0.241 1.988) 2.002 7.308 ( -0.000 -0.774 0.787) 1.103 7.552 ( 0.000 0.565 -0.967) 1.120 7.975 ( -0.000 2.671 20.593) 20.766 9.194 ( 0.000 -9.642 -2.598) 9.985 9.661 ( -0.000 0.095 0.216) 0.236 10.585 ( 0.000 6.834 -23.339) 24.319 10.674 ( 0.000 -0.135 -0.102) 0.169 12.822 ( 0.000 0.804 -0.006) 0.804 13.211 ( -0.000 -2.101 15.037) 15.183 14.690 ( 0.000 1.174 -0.058) 1.175 15.034 ( 0.000 0.772 -1.819) 1.976 18.363 ( 0.000 -0.674 -0.985) 1.193 18.869 ( 0.000 -0.010 -0.030) 0.032 19.003 ( -0.000 -0.195 0.404) 0.449 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( -4.224 -7.306 -2.678) 8.853 3.670 ( 2.947 -0.447 -1.865) 3.516 3.710 ( -0.424 5.324 -2.445) 5.874 3.912 ( 10.913 0.061 0.522) 10.926 4.735 ( 4.870 -5.400 9.297) 11.803 5.666 ( -0.430 2.637 -8.920) 9.312 5.766 ( -3.769 -3.734 -0.036) 5.306 6.041 ( -3.739 -2.751 -1.963) 5.040 6.482 ( 7.489 -1.698 -0.525) 7.697 6.628 ( -10.837 -0.904 2.040) 11.064 7.365 ( 12.861 -10.163 0.011) 16.392 7.687 ( 5.924 9.719 -0.310) 11.387 8.036 ( -0.559 1.283 22.467) 22.511 9.029 ( -5.496 -7.968 -5.992) 11.384 9.618 ( -4.015 -1.023 -2.475) 4.826 10.602 ( 3.173 -0.648 -18.256) 18.541 10.796 ( 10.771 4.632 -0.746) 11.749 12.841 ( 1.965 -2.791 2.256) 4.091 13.195 ( -1.237 -4.241 11.755) 12.558 14.677 ( -1.317 -1.803 0.058) 2.234 15.072 ( -0.949 10.304 -1.359) 10.436 18.354 ( -1.521 1.576 -1.108) 2.455 18.431 ( -29.448 -0.522 0.279) 29.454 19.374 ( 22.725 -0.830 0.104) 22.740 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( 0.000 -8.830 -1.607) 8.975 3.578 ( 0.000 -5.732 -1.651) 5.965 3.798 ( -0.000 -1.575 1.501) 2.175 3.837 ( 0.000 11.792 -3.877) 12.413 4.623 ( -0.000 -11.464 9.167) 14.678 5.657 ( 0.000 -3.608 -11.310) 11.872 5.742 ( -0.000 -5.361 0.829) 5.425 6.061 ( 0.000 0.334 -1.337) 1.378 6.381 ( 0.000 -4.192 -0.515) 4.224 6.819 ( -0.000 6.653 1.375) 6.793 7.029 ( -0.000 -18.985 1.476) 19.042 7.748 ( 0.000 11.377 -1.276) 11.449 8.081 ( -0.000 -4.024 23.728) 24.067 9.015 ( 0.000 -3.220 -8.123) 8.738 9.625 ( -0.000 -3.757 0.387) 3.776 10.505 ( 0.000 -6.304 -18.632) 19.670 10.756 ( 0.000 8.191 -0.121) 8.192 12.751 ( 0.000 -7.478 -4.539) 8.748 13.213 ( -0.000 -3.493 17.051) 17.405 14.678 ( -0.000 -0.843 -0.032) 0.844 15.204 ( 0.000 14.862 -1.086) 14.901 18.389 ( 0.000 3.773 -1.227) 3.967 18.839 ( -0.000 -2.969 -0.033) 2.969 19.007 ( -0.000 0.282 0.310) 0.419 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -0.000 -0.000 36.522) 36.522 0.984 ( -0.000 -0.000 36.522) 36.522 1.640 ( -0.000 -0.000 61.034) 61.034 2.704 ( 0.000 0.000 -26.290) 26.290 2.704 ( 0.000 0.000 -26.290) 26.290 3.866 ( -0.000 -0.000 9.607) 9.607 3.866 ( -0.000 -0.000 9.607) 9.607 4.474 ( 0.000 0.000 -42.646) 42.646 6.087 ( -0.000 -0.000 15.473) 15.473 6.301 ( 0.000 0.000 -0.084) 0.084 6.301 ( 0.000 0.000 -0.084) 0.084 7.011 ( 0.000 0.000 -0.014) 0.014 8.022 ( -0.000 -0.000 0.366) 0.366 8.022 ( -0.000 -0.000 0.366) 0.366 8.791 ( 0.000 0.000 -0.481) 0.481 8.791 ( 0.000 0.000 -0.481) 0.481 11.850 ( -0.000 -0.000 0.408) 0.408 12.774 ( -0.000 -0.000 0.008) 0.008 12.774 ( -0.000 -0.000 0.008) 0.008 14.228 ( 0.000 0.000 -0.413) 0.413 17.030 ( -0.000 -0.000 0.306) 0.306 17.897 ( -0.000 -0.000 0.005) 0.005 17.897 ( -0.000 -0.000 0.005) 0.005 21.096 ( -0.000 -0.000 0.087) 0.087 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 13.151 7.593 28.632) 32.410 1.370 ( 20.834 12.029 27.766) 36.738 2.162 ( 31.121 17.968 45.305) 57.826 2.745 ( 8.148 4.704 -25.891) 27.548 2.786 ( 9.395 5.424 -22.316) 24.813 3.955 ( 7.248 4.185 8.903) 12.219 4.154 ( 22.533 13.010 5.778) 26.653 4.297 ( -0.110 -0.063 -30.760) 30.760 5.631 ( -13.448 -7.764 13.329) 20.464 6.290 ( -0.641 -0.370 0.310) 0.803 6.881 ( 8.954 5.170 -3.648) 10.964 6.990 ( 4.441 2.564 -2.327) 5.631 8.030 ( 0.340 0.197 -0.397) 0.559 8.268 ( 12.803 7.392 8.905) 17.259 8.826 ( 3.082 1.780 -0.095) 3.561 9.088 ( 24.218 13.983 -21.692) 35.392 11.016 ( -29.338 -16.938 14.495) 36.847 12.689 ( -7.172 -4.141 0.011) 8.281 14.029 ( 50.327 29.056 -39.765) 70.415 14.178 ( -3.341 -1.929 -0.759) 3.932 17.101 ( 4.481 2.587 -0.069) 5.175 17.923 ( 3.820 2.206 -0.169) 4.415 17.945 ( 4.057 2.342 0.008) 4.685 20.674 ( -28.740 -16.593 14.785) 36.331 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 18.827 10.870 13.471) 25.574 1.934 ( 22.101 12.760 17.999) 31.229 2.793 ( 9.199 5.311 -1.847) 10.782 2.945 ( 12.815 7.398 -20.973) 25.667 3.178 ( 31.395 18.126 16.593) 39.869 4.237 ( 15.377 8.878 7.057) 19.107 4.390 ( 12.449 7.187 -23.206) 27.298 4.921 ( 38.134 22.017 5.639) 44.393 5.412 ( -7.581 -4.377 4.991) 10.076 6.287 ( 0.459 0.265 0.781) 0.944 6.829 ( -3.446 -1.990 -3.233) 5.127 7.199 ( 8.721 5.035 -2.924) 10.487 8.028 ( -0.314 -0.181 -1.304) 1.353 8.444 ( -0.730 -0.421 17.845) 17.865 8.930 ( 5.707 3.295 0.286) 6.596 9.637 ( 24.342 14.054 -22.247) 35.847 10.700 ( -1.575 -0.909 5.882) 6.156 12.454 ( -12.829 -7.407 0.023) 14.814 14.031 ( -7.632 -4.406 -0.568) 8.831 14.627 ( 11.887 6.863 -30.126) 33.106 17.102 ( -6.055 -3.496 -0.287) 6.997 18.075 ( 6.930 4.001 0.014) 8.002 18.145 ( 14.892 8.598 -1.084) 17.230 20.061 ( -26.000 -15.011 15.500) 33.787 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 24.999 14.433 2.327) 28.960 2.442 ( 18.904 10.914 10.953) 24.422 2.915 ( 5.775 3.334 -10.516) 12.452 3.206 ( 12.462 7.195 -13.982) 20.064 3.937 ( 27.870 16.091 20.786) 38.310 4.682 ( 21.377 12.342 5.047) 25.195 4.702 ( 16.665 9.621 -12.278) 22.826 5.123 ( -10.413 -6.012 3.248) 12.455 5.886 ( 29.627 17.105 2.294) 34.287 6.321 ( 2.468 1.425 -0.101) 2.852 6.857 ( 11.226 6.481 -3.286) 13.372 7.389 ( 8.531 4.925 -4.894) 11.000 8.016 ( -0.435 -0.251 -0.414) 0.651 8.345 ( -8.994 -5.193 11.304) 15.351 9.079 ( 6.838 3.948 -0.216) 7.899 10.042 ( 12.988 7.499 -4.102) 15.549 10.887 ( 15.183 8.766 -3.035) 17.792 12.114 ( -16.218 -9.363 0.051) 18.727 13.837 ( -8.522 -4.920 -0.175) 9.842 14.664 ( -1.291 -0.745 -17.276) 17.340 16.846 ( -14.887 -8.595 0.084) 17.190 18.253 ( 8.181 4.723 0.021) 9.447 18.508 ( 14.924 8.616 -0.699) 17.246 19.547 ( -20.886 -12.059 9.752) 26.014 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 18.514 10.689 -1.435) 21.426 2.858 ( 15.422 8.904 6.516) 18.962 3.100 ( 15.636 9.028 -10.544) 20.909 3.440 ( 9.661 5.578 -8.429) 13.982 4.510 ( 14.878 8.590 18.169) 25.005 4.842 ( -5.811 -3.355 0.750) 6.752 5.124 ( 15.746 9.091 -5.347) 18.952 5.219 ( 23.539 13.590 4.384) 27.532 6.189 ( 1.793 1.035 -1.443) 2.523 6.395 ( 4.069 2.349 -2.919) 5.531 7.381 ( 23.683 13.673 5.251) 27.847 7.533 ( 1.932 1.116 -3.293) 3.978 8.010 ( -0.274 -0.158 1.982) 2.007 8.235 ( 5.723 3.304 -2.725) 7.148 9.236 ( 6.765 3.906 -1.152) 7.896 10.229 ( 3.032 1.751 5.373) 6.413 11.301 ( 20.365 11.758 -4.868) 24.014 11.722 ( -17.259 -9.965 0.103) 19.929 13.658 ( -6.584 -3.801 -0.414) 7.614 14.570 ( -3.235 -1.867 -9.880) 10.562 16.450 ( -18.818 -10.865 0.253) 21.731 18.443 ( 8.012 4.626 0.028) 9.251 18.792 ( 9.318 5.380 -0.242) 10.762 19.135 ( -16.215 -9.362 5.596) 19.542 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 6.818 3.937 -1.769) 8.070 3.186 ( 11.975 6.914 4.025) 14.402 3.613 ( 6.638 3.833 -5.021) 9.163 3.615 ( 26.292 15.180 -10.092) 31.993 4.441 ( -12.977 -7.492 7.099) 16.581 5.053 ( 14.362 8.292 6.805) 17.925 5.459 ( 12.056 6.960 1.249) 13.977 5.761 ( 21.630 12.488 5.090) 25.490 6.181 ( -0.282 -0.163 -2.372) 2.394 6.497 ( 5.921 3.418 -6.113) 9.171 7.346 ( -14.078 -8.128 1.295) 16.307 7.743 ( 9.649 5.571 -0.730) 11.166 7.999 ( -1.687 -0.974 3.570) 4.067 8.729 ( 30.192 17.432 -6.157) 35.402 9.384 ( 6.270 3.620 -1.526) 7.399 10.201 ( -6.461 -3.730 7.857) 10.834 11.333 ( -16.063 -9.274 0.164) 18.548 11.789 ( 22.096 12.757 -1.427) 25.554 13.536 ( -3.712 -2.143 -3.231) 5.368 14.499 ( -1.058 -0.611 -4.985) 5.133 15.998 ( -19.874 -11.474 0.366) 22.952 18.616 ( 6.807 3.930 0.031) 7.860 18.795 ( -11.541 -6.663 2.345) 13.531 18.965 ( 3.469 2.003 0.711) 4.068 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 6.416 3.704 -0.082) 7.409 3.430 ( 8.402 4.851 2.633) 10.053 3.727 ( 4.006 2.313 -2.979) 5.502 4.057 ( -1.379 -0.796 -0.895) 1.827 4.257 ( 10.591 6.115 -4.389) 12.993 5.345 ( 9.083 5.244 7.885) 13.121 5.664 ( 5.757 3.324 1.695) 6.860 6.185 ( 12.657 7.307 4.117) 15.184 6.187 ( 0.489 0.283 0.090) 0.572 6.685 ( 12.673 7.317 -5.693) 15.703 7.019 ( -12.596 -7.272 0.661) 14.559 7.923 ( 7.577 4.374 -10.839) 13.929 7.925 ( -5.683 -3.281 2.890) 7.170 9.353 ( 21.514 12.421 -7.205) 25.866 9.518 ( 5.437 3.139 -1.012) 6.359 10.015 ( -9.303 -5.371 18.028) 20.985 10.996 ( -12.720 -7.344 0.171) 14.689 12.287 ( 20.105 11.608 1.196) 23.247 13.457 ( -2.363 -1.364 -8.894) 9.304 14.510 ( 2.560 1.478 -1.106) 3.156 15.552 ( -18.322 -10.578 0.552) 21.164 18.563 ( -8.479 -4.895 1.639) 9.927 18.752 ( 4.901 2.830 0.033) 5.660 19.017 ( 0.825 0.476 0.019) 0.953 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 7.067 4.080 1.696) 8.335 3.584 ( 4.423 2.553 1.789) 5.411 3.789 ( 1.884 1.088 -1.677) 2.747 3.830 ( -10.925 -6.308 4.093) 13.262 4.605 ( 12.936 7.469 -9.659) 17.788 5.512 ( 4.257 2.458 8.222) 9.579 5.764 ( 3.276 1.891 0.284) 3.793 6.170 ( -2.571 -1.484 2.897) 4.148 6.367 ( 4.085 2.359 0.622) 4.758 6.812 ( -5.199 -3.002 -0.936) 6.076 7.039 ( 16.675 9.627 -1.679) 19.328 7.744 ( -10.191 -5.884 1.415) 11.852 8.053 ( 6.400 3.695 -18.608) 20.022 9.450 ( -9.487 -5.477 -8.726) 14.005 9.622 ( 3.415 1.971 -0.413) 3.964 10.111 ( 11.695 6.752 29.958) 32.860 10.761 ( -7.278 -4.202 0.129) 8.405 12.676 ( 12.164 7.023 1.261) 14.103 13.381 ( -1.843 -1.064 -13.893) 14.055 14.602 ( 4.916 2.838 0.661) 5.715 15.181 ( -13.058 -7.539 1.161) 15.123 18.414 ( -4.586 -2.648 1.181) 5.425 18.839 ( 2.554 1.475 0.033) 2.950 19.017 ( -0.485 -0.280 -0.303) 0.637 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( -0.437 -0.252 2.710) 2.757 3.636 ( -0.287 -0.165 1.385) 1.424 3.669 ( -0.129 -0.075 3.698) 3.701 3.811 ( 0.361 0.208 -1.083) 1.160 4.749 ( 1.113 0.643 -9.177) 9.267 5.605 ( 2.683 1.549 8.400) 8.953 5.818 ( 0.551 0.318 -0.609) 0.881 6.095 ( -3.715 -2.145 3.988) 5.857 6.417 ( 0.373 0.215 -0.128) 0.449 6.756 ( 0.274 0.158 -1.740) 1.769 7.314 ( -0.803 -0.463 -0.913) 1.301 7.545 ( 0.607 0.350 1.104) 1.307 8.127 ( 3.676 2.122 -24.983) 25.341 9.171 ( -11.345 -6.550 4.295) 13.786 9.663 ( 0.083 0.048 -0.242) 0.260 10.422 ( 7.463 4.309 25.426) 26.847 10.674 ( -0.124 -0.072 0.113) 0.182 12.822 ( 0.570 0.329 -0.003) 0.658 13.313 ( -1.779 -1.027 -15.206) 15.344 14.690 ( 1.169 0.675 0.048) 1.350 15.021 ( 0.734 0.424 2.157) 2.318 18.356 ( -0.637 -0.368 1.062) 1.292 18.869 ( -0.009 -0.005 0.033) 0.035 19.006 ( -0.182 -0.105 -0.434) 0.482 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -0.000 22.021 28.855) 36.297 1.395 ( -0.000 14.726 29.252) 32.750 2.264 ( -0.000 33.779 45.488) 56.659 2.675 ( 0.000 8.466 -24.632) 26.046 2.731 ( 0.000 10.954 -24.649) 26.973 4.029 ( -0.000 11.094 6.745) 12.984 4.109 ( -0.000 22.359 6.515) 23.289 4.229 ( 0.000 1.753 -31.635) 31.683 5.624 ( -0.000 -18.684 12.757) 22.624 6.285 ( -0.000 -1.562 0.402) 1.613 6.938 ( -0.000 -4.043 -0.165) 4.046 6.969 ( 0.000 24.434 -6.206) 25.210 8.036 ( 0.000 1.465 -0.496) 1.547 8.241 ( -0.000 13.983 8.916) 16.584 8.817 ( 0.000 2.762 0.027) 2.762 9.015 ( 0.000 18.877 -16.870) 25.317 11.077 ( -0.000 -30.110 11.276) 32.153 12.689 ( -0.000 -8.302 0.017) 8.302 13.955 ( 0.000 57.292 -34.319) 66.785 14.178 ( 0.000 -3.790 -0.861) 3.887 17.101 ( 0.000 5.034 0.017) 5.034 17.925 ( 0.000 4.678 -0.275) 4.687 17.945 ( 0.000 4.687 0.007) 4.687 20.708 ( -0.000 -31.354 12.263) 33.667 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 6.300 15.640 18.148) 24.772 1.836 ( 14.675 21.866 21.158) 33.781 2.732 ( 5.159 9.068 1.360) 10.521 2.806 ( 8.556 11.637 -21.732) 26.094 2.992 ( 18.889 29.667 14.466) 38.029 4.214 ( 5.289 16.848 5.062) 18.370 4.274 ( 5.987 12.950 -25.265) 29.014 4.645 ( 24.209 33.510 4.900) 41.629 5.449 ( -4.218 -12.224 7.454) 14.925 6.271 ( 0.305 -1.797 0.170) 1.830 6.851 ( -1.769 -6.439 -0.931) 6.742 7.187 ( 1.259 15.013 -4.611) 15.755 8.054 ( -0.414 2.446 -1.949) 3.155 8.456 ( 3.604 4.466 19.584) 20.408 8.892 ( 4.043 4.640 0.827) 6.210 9.324 ( 19.140 15.993 -23.207) 34.069 10.804 ( -7.563 -3.680 5.397) 9.994 12.524 ( -6.862 -11.946 0.025) 13.777 14.083 ( -3.746 -6.588 -0.319) 7.586 14.467 ( 11.330 21.475 -30.451) 38.946 17.144 ( -0.320 -0.665 -0.282) 0.790 17.915 ( 0.124 0.571 0.013) 0.585 18.163 ( 9.329 16.475 -0.804) 18.950 20.265 ( -16.136 -27.110 14.091) 34.552 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 16.219 18.824 5.584) 25.468 2.339 ( 14.215 19.612 13.248) 27.608 2.824 ( 4.306 1.953 -9.630) 10.728 3.073 ( 11.541 13.248 -15.810) 23.636 3.717 ( 23.859 23.726 21.865) 40.128 4.535 ( 12.774 16.298 -16.205) 26.294 4.583 ( 11.774 21.318 5.015) 24.864 5.208 ( -6.171 -8.134 5.738) 11.712 5.572 ( 31.419 30.604 0.781) 43.868 6.265 ( 1.975 -2.568 -1.622) 3.623 6.788 ( 1.636 -0.867 -1.674) 2.496 7.332 ( 3.592 8.926 -3.819) 10.352 8.053 ( -1.963 2.120 -2.991) 4.158 8.469 ( -6.171 -2.058 16.567) 17.798 9.039 ( 5.359 7.119 0.793) 8.946 9.785 ( 21.245 7.803 -12.324) 25.771 10.826 ( 4.066 11.844 0.245) 12.525 12.231 ( -11.209 -14.277 0.054) 18.151 13.919 ( -6.910 -6.759 -0.294) 9.671 14.625 ( 1.630 2.871 -18.795) 19.083 17.015 ( -10.778 -5.657 -0.044) 12.173 17.978 ( 10.034 -6.150 0.035) 11.769 18.532 ( 9.405 21.825 -0.730) 23.776 19.752 ( -17.756 -20.150 10.213) 28.733 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 20.546 19.112 -0.842) 28.073 2.771 ( 11.861 16.848 7.664) 21.983 2.921 ( 8.093 2.299 -8.589) 12.024 3.368 ( 9.390 14.084 -9.903) 19.611 4.339 ( 19.940 14.742 17.017) 30.075 4.879 ( 4.323 4.121 -0.125) 5.973 4.987 ( 4.339 2.995 -6.172) 8.117 5.081 ( 13.144 20.854 5.843) 25.334 6.152 ( 5.682 5.831 0.011) 8.142 6.314 ( 6.504 0.322 -3.548) 7.416 7.080 ( 25.431 16.097 1.566) 30.138 7.473 ( 5.001 4.336 -3.361) 7.423 7.990 ( -3.007 -4.462 -4.976) 7.329 8.387 ( -7.368 9.871 10.715) 16.326 9.205 ( 4.413 8.193 -0.536) 9.322 10.100 ( 12.269 -0.642 -1.726) 12.407 11.133 ( 13.711 16.419 -2.526) 21.540 11.872 ( -13.346 -13.932 0.139) 19.293 13.726 ( -7.065 -6.434 -0.405) 9.564 14.577 ( -2.397 -1.783 -10.528) 10.943 16.688 ( -18.233 -7.591 0.205) 19.751 18.114 ( 15.253 -11.720 0.042) 19.236 18.877 ( 5.022 21.051 -0.262) 21.644 19.304 ( -15.460 -15.028 6.016) 22.384 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 6.995 5.512 -1.911) 9.109 3.131 ( 8.809 15.243 4.671) 18.215 3.250 ( 23.716 11.302 -7.887) 27.430 3.636 ( 6.565 16.852 -6.649) 19.268 4.563 ( -8.818 -9.705 8.933) 15.866 4.887 ( 14.155 7.441 3.849) 16.448 5.326 ( 13.264 11.416 1.052) 17.532 5.596 ( 16.960 20.401 4.912) 26.981 6.173 ( 0.144 -1.342 -2.453) 2.800 6.412 ( 5.544 1.654 -5.476) 7.966 7.440 ( -6.193 -7.979 -2.598) 10.429 7.616 ( 11.431 5.042 5.333) 13.584 8.002 ( 7.398 5.292 -1.749) 9.263 8.565 ( 8.964 24.900 0.384) 26.467 9.347 ( 3.629 6.694 -1.111) 7.695 10.187 ( 2.653 -7.457 2.188) 8.212 11.493 ( -10.536 -7.993 -1.317) 13.290 11.601 ( 14.875 15.487 0.540) 21.481 13.557 ( -4.595 -6.225 -2.140) 8.028 14.499 ( -1.749 -1.883 -5.336) 5.922 16.259 ( -21.306 -8.612 0.365) 22.984 18.254 ( 16.622 -16.219 0.019) 23.224 18.937 ( -12.504 -10.422 2.882) 16.531 19.125 ( -0.318 19.023 0.368) 19.030 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 6.442 2.189 -0.650) 6.835 3.405 ( 5.699 12.758 2.527) 14.200 3.655 ( 10.390 7.053 -3.858) 13.137 3.982 ( 13.409 20.692 -8.009) 25.925 4.276 ( -9.901 -10.933 4.417) 15.397 5.218 ( 13.000 4.937 6.502) 15.351 5.592 ( 6.792 4.778 3.765) 9.118 6.025 ( 11.951 7.124 0.495) 13.922 6.211 ( 3.397 7.197 2.380) 8.307 6.558 ( 9.469 6.316 -4.813) 12.358 7.138 ( -12.053 -11.876 -2.193) 17.062 7.788 ( 7.398 1.220 -7.060) 10.299 8.104 ( -6.463 9.828 6.095) 13.248 9.084 ( 19.226 16.138 -6.910) 26.035 9.483 ( 6.208 7.076 1.950) 9.614 10.086 ( -3.836 -10.049 8.115) 13.474 11.176 ( -13.861 -5.148 -0.370) 14.791 12.111 ( 18.749 18.924 1.865) 26.704 13.429 ( -1.832 -6.822 -6.730) 9.756 14.473 ( 1.476 -0.664 -1.571) 2.256 15.798 ( -21.213 -8.882 0.521) 23.003 18.357 ( 16.280 -20.282 -0.068) 26.008 18.661 ( -9.090 -7.919 1.695) 12.174 19.270 ( -5.092 19.372 0.077) 20.031 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 7.816 1.328 1.166) 8.014 3.593 ( 2.330 9.766 1.506) 10.152 3.802 ( 0.793 5.922 -1.065) 6.069 3.963 ( -10.388 -6.518 3.383) 12.721 4.456 ( 14.633 14.703 -9.270) 22.721 5.449 ( 7.846 2.022 7.970) 11.365 5.698 ( 3.987 -0.881 1.761) 4.447 6.144 ( 3.002 -2.711 -0.594) 4.089 6.384 ( 2.274 9.469 2.413) 10.033 6.814 ( 0.101 -6.100 5.516) 8.225 6.909 ( 7.498 9.668 -8.587) 14.947 7.880 ( 2.536 1.096 -9.223) 9.628 8.030 ( -10.529 7.567 -1.519) 13.055 9.304 ( 6.128 -8.345 -8.811) 13.595 9.712 ( -0.648 9.271 -5.749) 10.928 10.041 ( 8.965 0.366 28.287) 29.676 10.929 ( -12.117 1.696 -0.173) 12.237 12.584 ( 13.147 16.634 2.088) 21.305 13.320 ( 0.118 -7.469 -12.117) 14.234 14.532 ( 5.113 0.671 0.660) 5.199 15.369 ( -17.829 -8.207 0.808) 19.644 18.409 ( 13.744 -21.844 -0.097) 25.809 18.475 ( -3.733 -6.969 0.990) 7.968 19.345 ( -8.556 19.816 -0.063) 21.585 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 7.508 -0.455 2.677) 7.984 3.676 ( -2.544 1.499 2.277) 3.728 3.712 ( -4.714 -2.186 2.151) 5.624 3.896 ( -3.708 9.577 -0.469) 10.281 4.729 ( 4.623 8.528 -9.507) 13.583 5.580 ( 3.935 1.205 8.669) 9.596 5.757 ( 4.600 -2.518 0.132) 5.246 6.115 ( -1.594 -4.711 2.133) 5.412 6.477 ( -2.017 8.116 0.733) 8.395 6.680 ( 0.209 -9.069 -2.706) 9.467 7.263 ( 12.019 11.912 1.203) 16.965 7.752 ( -16.318 5.428 0.017) 17.197 8.017 ( 4.432 1.233 -19.795) 20.323 9.204 ( -2.920 -11.615 -2.275) 12.191 9.655 ( -2.516 -2.842 1.843) 4.220 10.394 ( 11.446 9.199 24.434) 28.507 10.794 ( -8.763 7.507 0.099) 11.540 12.846 ( 1.723 7.592 -1.785) 7.987 13.250 ( 2.061 -4.245 -12.496) 13.358 14.646 ( 5.323 1.413 0.553) 5.535 15.060 ( -8.299 -5.253 1.528) 9.940 18.364 ( -1.168 -3.409 0.916) 3.718 18.436 ( 14.342 -24.741 -0.275) 28.598 19.376 ( -10.739 19.956 -0.127) 22.662 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -0.000 17.821 13.519) 22.369 1.979 ( -0.000 25.933 19.948) 32.718 2.753 ( 0.000 4.280 -9.396) 10.325 2.807 ( 0.000 13.776 -19.294) 23.708 3.227 ( -0.000 37.560 23.766) 44.447 4.325 ( 0.000 19.359 -23.956) 30.800 4.362 ( -0.000 19.710 2.693) 19.893 4.850 ( -0.000 45.245 7.017) 45.786 5.374 ( -0.000 -11.767 6.151) 13.278 6.251 ( -0.000 -2.053 1.694) 2.661 6.768 ( -0.000 -9.000 -0.772) 9.033 7.353 ( 0.000 15.997 -8.381) 18.059 8.072 ( 0.000 2.566 -2.469) 3.561 8.548 ( -0.000 6.663 22.304) 23.278 8.899 ( -0.000 5.022 1.177) 5.158 9.258 ( 0.000 14.253 -16.790) 22.024 10.859 ( 0.000 2.908 -0.123) 2.910 12.453 ( -0.000 -14.812 0.038) 14.812 14.027 ( -0.000 -8.883 -0.453) 8.894 14.530 ( 0.000 16.830 -25.108) 30.227 17.100 ( -0.000 -6.912 -0.081) 6.913 18.075 ( 0.000 8.004 0.011) 8.004 18.149 ( 0.000 17.232 -1.170) 17.272 20.133 ( -0.000 -30.334 11.881) 32.578 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 5.412 22.543 5.203) 23.760 2.375 ( 9.990 23.013 13.745) 28.607 2.777 ( 1.470 2.565 -8.377) 8.883 2.998 ( 8.913 14.889 -14.287) 22.478 3.737 ( 10.840 31.138 21.313) 39.260 4.534 ( 5.137 21.974 -16.896) 28.190 4.660 ( 7.859 23.892 2.192) 25.247 5.209 ( -2.998 -9.898 5.488) 11.708 5.518 ( 15.928 43.023 2.719) 45.957 6.227 ( -0.783 -2.366 0.128) 2.496 6.713 ( 2.877 -4.969 1.216) 5.870 7.436 ( -3.239 11.667 -7.897) 14.455 8.086 ( -1.020 1.361 -4.707) 5.005 8.592 ( -2.919 0.396 15.352) 15.632 9.012 ( 5.592 6.549 1.576) 8.755 9.521 ( 14.614 11.769 -4.964) 19.409 10.929 ( 0.022 13.996 -3.618) 14.456 12.231 ( -6.730 -16.858 0.066) 18.152 13.914 ( -2.240 -9.891 -0.095) 10.142 14.603 ( 0.607 4.641 -17.487) 18.103 17.015 ( 0.499 -12.052 0.002) 12.063 17.980 ( -10.442 5.644 -0.087) 11.869 18.532 ( 13.977 19.076 -0.724) 23.660 19.779 ( -9.211 -25.630 8.783) 28.616 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 13.668 24.091 -0.679) 27.707 2.783 ( 8.072 15.706 4.576) 18.242 2.840 ( 5.510 7.271 -3.128) 9.645 3.316 ( 11.880 15.789 -8.291) 21.428 4.260 ( 13.058 21.530 15.874) 29.766 4.847 ( 8.402 17.271 -6.124) 20.159 4.973 ( -2.553 -3.635 -1.710) 4.759 5.135 ( 8.646 21.388 4.601) 23.524 6.127 ( 6.560 10.770 0.907) 12.643 6.202 ( 4.920 3.203 -4.081) 7.150 6.890 ( 15.840 15.846 5.230) 23.008 7.475 ( -0.626 5.884 -3.773) 7.018 8.003 ( -4.952 -3.935 -9.045) 11.038 8.616 ( -1.925 10.037 11.039) 15.044 9.201 ( 6.343 8.251 0.613) 10.426 9.850 ( 13.732 1.959 0.400) 13.877 11.141 ( 6.065 19.565 -4.034) 20.877 11.914 ( -9.545 -16.591 0.168) 19.141 13.752 ( -4.845 -9.697 -0.036) 10.840 14.575 ( -1.701 -1.139 -10.421) 10.621 16.841 ( -7.176 -12.293 0.116) 14.235 17.884 ( -1.606 -2.665 0.028) 3.112 18.942 ( 10.820 18.568 -0.161) 21.491 19.381 ( -11.622 -19.626 5.368) 23.433 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 4.364 6.726 -1.403) 8.140 3.004 ( 18.844 17.259 -5.074) 26.052 3.173 ( 8.195 18.978 3.170) 20.913 3.663 ( 9.922 18.002 -4.903) 21.132 4.600 ( -1.364 -3.091 11.308) 11.801 4.772 ( 4.371 2.220 -1.234) 5.055 5.246 ( 11.888 16.814 -0.454) 20.598 5.605 ( 11.326 26.108 5.872) 29.058 6.117 ( 1.689 -5.087 -3.710) 6.519 6.334 ( 3.653 2.194 -4.158) 5.954 7.401 ( 7.004 4.032 -1.617) 8.242 7.503 ( 5.978 2.047 9.607) 11.499 7.935 ( 4.972 10.355 -12.249) 16.793 8.782 ( 0.090 21.671 8.069) 23.124 9.364 ( 2.863 6.727 -0.314) 7.317 10.006 ( 7.608 -7.518 -0.727) 10.721 11.508 ( 12.051 21.687 -2.321) 24.919 11.598 ( -8.635 -12.359 0.746) 15.095 13.563 ( -5.389 -9.655 -0.742) 11.082 14.500 ( -2.203 -2.335 -5.420) 6.299 16.519 ( -16.508 -10.056 0.287) 19.331 17.869 ( 7.720 -11.926 0.017) 14.207 19.021 ( -10.776 -14.780 3.032) 18.541 19.267 ( 5.672 17.481 -0.031) 18.379 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 4.573 2.277 -0.395) 5.124 3.460 ( 7.682 16.753 -4.256) 18.915 3.523 ( 14.690 16.703 1.846) 22.321 4.002 ( 8.565 20.806 -5.130) 23.077 4.340 ( -10.486 -13.584 3.620) 17.538 5.047 ( 12.874 5.701 4.060) 14.653 5.563 ( 6.510 10.027 5.662) 13.228 5.943 ( 4.455 6.589 -2.539) 8.349 6.210 ( 8.926 10.859 4.277) 14.693 6.442 ( 8.126 4.446 -4.378) 10.245 7.195 ( -9.883 -13.136 -4.430) 17.026 7.670 ( 5.838 1.086 -3.053) 6.677 8.276 ( 6.110 18.697 5.763) 20.497 9.072 ( 3.680 23.682 -4.529) 24.391 9.443 ( 4.459 1.214 5.084) 6.870 9.992 ( 2.573 -10.713 -0.377) 11.024 11.339 ( -9.869 -4.224 -0.690) 10.758 12.007 ( 17.557 22.428 1.517) 28.523 13.375 ( -3.875 -10.719 -3.507) 11.925 14.446 ( -0.304 -1.819 -2.006) 2.725 16.094 ( -21.220 -8.378 0.458) 22.818 17.892 ( 12.380 -19.164 -0.086) 22.815 18.728 ( -8.765 -10.725 1.522) 13.934 19.493 ( 0.744 16.785 0.054) 16.802 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 6.021 1.139 0.979) 6.206 3.684 ( 1.849 14.309 -1.273) 14.484 3.852 ( 3.424 9.969 1.079) 10.596 4.055 ( -6.799 -8.644 2.925) 11.380 4.373 ( 11.235 20.108 -7.854) 24.336 5.309 ( 11.786 1.694 5.493) 13.112 5.667 ( -0.503 0.587 5.207) 5.264 6.039 ( 5.775 -0.756 -4.600) 7.422 6.445 ( 3.447 10.330 2.253) 11.121 6.734 ( 11.584 7.518 10.890) 17.587 6.905 ( -5.898 -4.637 -13.249) 15.225 7.764 ( 6.176 0.283 -8.449) 10.470 8.390 ( -13.247 14.051 6.421) 20.350 9.170 ( -0.084 -1.415 -11.151) 11.240 9.733 ( 10.657 13.248 0.353) 17.006 9.922 ( 4.863 -9.075 15.464) 18.578 11.169 ( -10.307 5.658 -0.892) 11.792 12.533 ( 15.736 20.950 2.496) 26.320 13.200 ( -1.210 -12.474 -8.123) 14.935 14.456 ( 3.316 -0.696 0.160) 3.392 15.640 ( -21.587 -7.160 0.606) 22.751 17.905 ( 14.178 -24.240 -0.247) 28.083 18.511 ( -6.042 -7.391 0.823) 9.582 19.635 ( -3.438 16.654 0.002) 17.005 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 7.509 0.005 2.342) 7.866 3.724 ( -6.842 -9.877 3.315) 12.465 3.816 ( -2.031 10.770 -1.089) 11.013 4.089 ( -2.847 15.012 1.288) 15.334 4.703 ( 8.071 12.816 -9.366) 17.808 5.514 ( 8.629 1.215 6.910) 11.121 5.657 ( 1.352 -3.375 3.372) 4.958 6.073 ( 1.200 -3.942 -1.492) 4.382 6.567 ( 1.399 -0.885 -1.358) 2.141 6.658 ( -6.278 3.413 -0.037) 7.145 7.162 ( 13.705 10.973 2.881) 17.792 7.861 ( 6.328 2.155 -13.587) 15.143 8.182 ( -20.689 6.334 -0.946) 21.658 9.125 ( 0.050 -3.893 -3.168) 5.020 9.678 ( -5.212 -8.862 -0.092) 10.281 10.297 ( 16.959 11.236 20.307) 28.744 11.083 ( -11.032 13.456 -0.434) 17.406 12.864 ( 2.407 3.124 -6.371) 7.493 13.121 ( 7.014 -1.130 -4.242) 8.274 14.549 ( 6.759 1.237 0.780) 6.915 15.231 ( -17.414 -5.528 0.774) 18.287 17.900 ( 15.155 -27.157 -0.386) 31.102 18.375 ( -2.886 -4.549 0.620) 5.422 19.712 ( -6.689 16.492 -0.042) 17.797 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 0.000 26.255 1.360) 26.291 2.535 ( -0.000 21.972 11.672) 24.880 2.782 ( 0.000 3.508 -5.492) 6.516 3.035 ( 0.000 15.145 -11.010) 18.724 4.016 ( -0.000 31.460 18.246) 36.369 4.697 ( 0.000 23.988 -13.484) 27.518 4.827 ( 0.000 25.888 -1.334) 25.923 5.135 ( -0.000 -11.571 2.436) 11.825 5.839 ( -0.000 39.656 4.601) 39.922 6.229 ( -0.000 -0.977 3.545) 3.677 6.662 ( -0.000 3.374 3.318) 4.732 7.562 ( 0.000 9.543 -10.568) 14.239 8.109 ( 0.000 2.460 -4.236) 4.898 8.584 ( -0.000 -7.474 1.684) 7.661 9.024 ( -0.000 6.670 2.142) 7.005 9.560 ( -0.000 16.872 11.866) 20.627 11.073 ( 0.000 17.762 -7.582) 19.313 12.113 ( -0.000 -18.694 0.055) 18.695 13.823 ( -0.000 -11.130 0.428) 11.138 14.600 ( 0.000 1.588 -13.900) 13.991 16.848 ( -0.000 -16.945 0.037) 16.945 18.253 ( 0.000 9.451 0.014) 9.451 18.509 ( 0.000 17.116 -0.684) 17.129 19.613 ( -0.000 -25.380 6.481) 26.195 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 3.924 27.165 -1.377) 27.482 2.817 ( 0.532 5.703 -1.338) 5.882 2.852 ( 8.507 18.989 4.505) 21.289 3.257 ( 9.697 14.872 -5.335) 18.539 4.389 ( 4.283 25.949 13.551) 29.586 4.900 ( 0.209 3.624 -0.719) 3.701 5.000 ( -1.311 9.149 -7.737) 12.053 5.201 ( 9.919 25.002 -1.271) 26.928 6.141 ( 1.372 4.680 0.668) 4.923 6.217 ( -0.114 4.850 1.781) 5.168 6.894 ( 8.460 25.983 9.950) 29.081 7.574 ( -4.442 4.650 -5.128) 8.225 8.052 ( -5.978 -0.595 -9.659) 11.375 8.609 ( 9.676 0.097 -2.921) 10.108 9.161 ( 6.446 7.629 1.336) 10.077 9.783 ( 2.937 10.959 16.035) 19.643 11.265 ( 2.115 21.169 -8.449) 22.890 11.872 ( -5.351 -18.395 0.128) 19.158 13.699 ( -1.578 -11.399 1.087) 11.559 14.566 ( -1.077 -1.249 -9.556) 9.697 16.691 ( 2.496 -19.370 0.010) 19.530 18.115 ( -17.775 7.290 -0.045) 19.212 18.874 ( 15.546 14.498 -0.031) 21.258 19.335 ( -5.545 -21.189 4.039) 22.272 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 2.778 4.537 -1.082) 5.428 2.961 ( 9.251 24.733 -0.860) 26.420 3.215 ( 9.527 19.131 -0.187) 21.373 3.616 ( 13.850 15.910 -0.997) 21.118 4.643 ( -4.113 -3.706 8.530) 10.169 4.767 ( 0.691 7.636 -2.093) 7.948 5.265 ( 7.088 20.531 -2.246) 21.836 5.671 ( 13.554 25.688 1.042) 29.063 6.074 ( -4.153 -3.516 -0.695) 5.486 6.301 ( 2.681 2.477 -1.456) 3.930 7.345 ( 7.820 11.844 4.671) 14.941 7.495 ( -2.264 -1.767 7.742) 8.258 7.987 ( 0.100 14.054 -15.598) 20.996 8.863 ( 12.335 9.568 1.683) 15.701 9.363 ( 5.950 7.946 -1.262) 10.007 9.892 ( -0.665 0.653 9.403) 9.449 11.524 ( 4.255 8.398 -2.519) 9.745 11.630 ( -2.775 0.897 -2.892) 4.107 13.539 ( -3.986 -11.550 1.345) 12.292 14.503 ( -2.014 -2.144 -5.555) 6.286 16.522 ( -0.601 -19.143 0.038) 19.153 17.869 ( -14.208 0.652 0.035) 14.223 19.024 ( -7.019 -16.625 2.677) 18.243 19.270 ( 11.782 13.387 -0.262) 17.835 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 2.356 3.442 0.432) 4.194 3.405 ( 14.268 20.950 -2.079) 25.432 3.549 ( 7.582 17.762 -0.819) 19.330 4.019 ( 12.003 17.519 -0.516) 21.242 4.379 ( -8.848 -13.874 1.271) 16.504 4.964 ( 5.012 10.284 1.294) 11.513 5.579 ( 7.221 14.917 3.477) 16.934 5.959 ( -2.670 -5.533 -3.171) 6.914 6.163 ( 13.082 23.755 4.720) 27.526 6.379 ( 3.718 4.474 -3.197) 6.638 7.200 ( -7.415 -13.971 -2.727) 16.050 7.607 ( 2.882 2.401 0.875) 3.852 8.329 ( 12.191 25.243 -0.690) 28.042 9.207 ( 13.426 12.311 7.902) 19.856 9.432 ( -6.284 3.277 -4.955) 8.648 9.857 ( 0.244 -5.149 -0.157) 5.157 11.403 ( -2.983 -6.576 0.777) 7.263 11.980 ( 12.503 25.565 -2.222) 28.545 13.337 ( -5.506 -12.493 0.338) 13.657 14.439 ( -1.609 -1.842 -2.498) 3.496 16.268 ( -8.967 -15.266 0.167) 17.705 17.657 ( -5.164 -9.072 0.007) 10.439 18.753 ( -7.248 -12.597 1.239) 14.586 19.571 ( 7.473 12.978 0.001) 14.976 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 3.271 2.314 0.793) 4.084 3.790 ( 4.810 18.208 -4.799) 19.435 3.859 ( 10.232 13.865 3.309) 17.547 4.042 ( -6.234 -13.383 1.149) 14.809 4.433 ( 7.411 20.873 -2.967) 22.347 5.146 ( 8.373 2.883 2.383) 9.171 5.743 ( -3.534 3.455 7.750) 9.192 5.919 ( 5.803 -0.599 -7.188) 9.257 6.477 ( 3.108 7.094 0.386) 7.755 6.636 ( 13.767 15.481 7.631) 22.078 6.937 ( -6.882 -7.934 -8.784) 13.691 7.665 ( 3.544 0.388 -3.223) 4.806 8.705 ( 0.322 19.213 6.866) 20.405 9.212 ( -9.364 -8.360 -7.865) 14.813 9.633 ( 16.258 17.393 8.149) 25.164 9.799 ( -0.292 -8.440 -1.941) 8.665 11.353 ( -2.815 6.047 -0.511) 6.689 12.475 ( 15.464 22.597 1.005) 27.400 13.103 ( -5.237 -14.729 -2.754) 15.873 14.412 ( 0.746 -0.680 -0.471) 1.114 15.917 ( -16.611 -9.594 0.339) 19.186 17.505 ( 3.665 -18.996 -0.160) 19.347 18.534 ( -5.782 -8.923 0.537) 10.646 19.789 ( 2.847 12.768 0.012) 13.081 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 4.971 1.055 1.401) 5.271 3.738 ( -7.597 -13.068 1.919) 15.237 3.974 ( -1.069 15.365 -2.311) 15.574 4.222 ( 7.510 14.514 2.446) 16.524 4.718 ( 3.518 17.155 -6.616) 18.720 5.333 ( 11.614 -1.598 3.780) 12.318 5.680 ( -3.689 -0.755 5.435) 6.611 5.999 ( 3.187 -1.386 -3.703) 5.079 6.521 ( -1.084 -4.963 -1.536) 5.307 6.817 ( -2.351 9.483 0.901) 9.812 7.030 ( 12.756 9.077 2.698) 15.887 7.744 ( 5.846 2.108 -7.892) 10.045 8.610 ( -21.635 3.776 -1.275) 21.999 9.112 ( 1.668 1.401 -0.360) 2.208 9.643 ( -3.965 -12.395 -2.064) 13.176 10.146 ( 19.076 16.070 12.391) 27.851 11.395 ( -6.219 16.182 -0.863) 17.357 12.808 ( -2.449 -8.538 -7.517) 11.637 12.971 ( 12.397 5.730 2.375) 13.862 14.464 ( 4.682 2.059 0.416) 5.132 15.527 ( -19.834 -3.704 0.431) 20.181 17.397 ( 10.011 -26.108 -0.360) 27.964 18.379 ( -3.505 -5.848 0.296) 6.824 19.929 ( -1.300 12.552 -0.008) 12.619 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 0.000 18.223 -5.375) 18.999 2.912 ( -0.000 18.388 3.458) 18.710 2.955 ( -0.000 16.829 3.286) 17.147 3.296 ( 0.000 13.312 -2.308) 13.511 4.639 ( -0.000 22.522 11.039) 25.081 4.849 ( -0.000 -10.170 -0.910) 10.211 5.170 ( 0.000 21.765 -8.686) 23.434 5.365 ( 0.000 28.510 -4.604) 28.880 6.157 ( -0.000 -0.802 0.386) 0.890 6.250 ( -0.000 1.143 5.823) 5.934 7.140 ( -0.000 27.629 12.536) 30.340 7.648 ( 0.000 1.543 -3.698) 4.007 8.123 ( 0.000 0.645 -4.753) 4.797 8.439 ( 0.000 2.796 -15.946) 16.190 9.180 ( -0.000 7.747 2.288) 8.078 9.943 ( -0.000 11.887 21.344) 24.431 11.447 ( 0.000 23.016 -10.850) 25.445 11.723 ( -0.000 -19.882 0.054) 19.882 13.602 ( -0.000 -11.138 2.716) 11.464 14.542 ( 0.000 -1.502 -7.804) 7.947 16.456 ( -0.000 -21.511 -0.121) 21.511 18.443 ( 0.000 9.256 0.011) 9.256 18.787 ( 0.000 10.264 0.102) 10.264 19.181 ( -0.000 -19.413 2.606) 19.588 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 0.510 7.220 -0.433) 7.251 3.118 ( 1.284 20.713 2.828) 20.944 3.250 ( 7.290 21.880 -3.594) 23.341 3.535 ( 11.674 13.756 2.007) 18.153 4.636 ( -4.568 -14.604 1.558) 15.381 4.920 ( -0.326 20.482 1.213) 20.520 5.385 ( 2.528 19.682 -4.203) 20.284 5.709 ( 7.690 24.321 -5.035) 26.000 6.129 ( -1.432 -0.030 1.854) 2.343 6.292 ( 1.188 2.912 4.542) 5.524 7.368 ( 0.157 1.886 4.792) 5.152 7.575 ( -4.837 1.239 6.713) 8.366 8.108 ( 0.195 11.272 -10.609) 15.481 8.661 ( 14.470 10.662 -7.373) 19.427 9.325 ( 6.322 8.326 0.128) 10.455 10.040 ( -5.160 6.518 15.311) 17.422 11.484 ( -3.226 -15.089 -0.208) 15.431 11.714 ( 4.739 22.353 -9.023) 24.567 13.484 ( -2.160 -10.866 4.224) 11.857 14.502 ( -1.284 -1.190 -5.413) 5.689 16.265 ( 3.173 -22.574 -0.213) 22.797 18.253 ( -22.392 6.214 0.038) 23.238 18.946 ( -1.866 -15.215 1.949) 15.452 19.133 ( 15.581 7.914 -0.259) 17.477 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 0.314 5.561 0.929) 5.647 3.404 ( 8.795 17.361 2.623) 19.638 3.582 ( 8.450 18.941 -5.539) 21.467 3.942 ( 15.375 16.406 3.701) 22.787 4.371 ( -7.467 -15.538 -1.004) 17.269 5.081 ( -2.084 15.372 -1.079) 15.550 5.620 ( 5.458 13.653 -1.884) 14.823 5.915 ( -0.260 -0.173 0.492) 0.583 6.263 ( 6.897 20.479 -1.556) 21.665 6.377 ( 2.187 7.451 3.463) 8.502 7.170 ( -7.014 -15.752 -0.580) 17.253 7.622 ( -0.027 4.117 3.844) 5.632 8.351 ( 11.456 17.256 -5.390) 21.402 8.993 ( 13.767 2.954 7.270) 15.846 9.522 ( 4.968 10.504 -6.821) 13.474 9.961 ( -10.564 2.602 4.360) 11.721 11.325 ( 1.321 -10.754 1.335) 10.917 12.061 ( 8.397 26.654 -6.136) 28.611 13.318 ( -5.449 -11.446 4.764) 13.543 14.453 ( -2.107 -0.609 -3.001) 3.717 16.099 ( 3.270 -22.434 -0.241) 22.672 17.890 ( -22.812 1.050 0.140) 22.837 18.732 ( -4.910 -13.023 0.854) 13.944 19.493 ( 14.128 8.992 -0.022) 16.746 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 0.463 4.201 0.352) 4.241 3.765 ( 13.517 13.573 2.759) 19.353 3.883 ( 6.316 15.252 -3.978) 16.980 4.049 ( -8.799 -11.242 -0.942) 14.307 4.415 ( 15.549 15.568 2.536) 22.149 5.159 ( -2.528 9.442 -1.702) 9.921 5.794 ( 4.671 -2.283 -7.600) 9.208 5.868 ( -3.190 5.696 8.252) 10.523 6.481 ( 3.638 5.716 -0.825) 6.825 6.648 ( 7.594 21.241 4.297) 22.963 6.923 ( -3.761 -10.388 -5.017) 12.134 7.649 ( -0.353 2.068 1.834) 2.786 8.738 ( 15.174 11.274 -2.956) 19.134 9.139 ( 2.733 -12.470 13.552) 18.618 9.688 ( 3.014 16.084 -7.050) 17.818 9.805 ( -8.288 2.252 -4.393) 9.647 11.348 ( 7.052 0.404 0.994) 7.133 12.486 ( 10.681 25.029 -2.480) 27.326 13.083 ( -8.452 -13.135 3.350) 15.975 14.414 ( -1.302 0.475 -1.086) 1.761 15.918 ( -0.112 -19.112 -0.167) 19.113 17.504 ( -18.225 -6.391 0.159) 19.313 18.534 ( -4.851 -9.466 0.243) 10.640 19.789 ( 9.633 8.845 0.007) 13.078 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 1.591 2.756 -0.000) 3.182 3.740 ( -7.975 -13.813 -0.000) 15.950 4.118 ( 6.805 11.786 -0.000) 13.609 4.159 ( 9.209 15.951 -0.000) 18.419 4.819 ( 9.883 17.118 -0.000) 19.766 5.188 ( 0.626 1.085 -0.000) 1.252 5.731 ( -2.027 -3.510 -0.000) 4.053 5.948 ( 1.512 2.619 -0.000) 3.024 6.504 ( -2.422 -4.195 -0.000) 4.844 6.893 ( 4.165 7.215 -0.000) 8.331 6.959 ( 6.787 11.756 0.000) 13.575 7.691 ( 2.271 3.934 -0.000) 4.543 8.907 ( -8.879 -15.379 -0.000) 17.758 9.040 ( 5.138 8.899 0.000) 10.276 9.605 ( -6.161 -10.672 -0.000) 12.323 10.064 ( 13.571 23.505 0.000) 27.141 11.545 ( 6.647 11.514 -0.000) 13.295 12.783 ( -9.081 -15.728 0.000) 18.161 12.870 ( 8.802 15.246 -0.000) 17.604 14.434 ( 2.012 3.485 -0.000) 4.024 15.718 ( -5.754 -9.967 -0.000) 11.509 17.145 ( -9.529 -16.505 -0.000) 19.059 18.381 ( -3.662 -6.343 -0.000) 7.324 20.004 ( 4.982 8.629 -0.000) 9.964 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 0.000 7.931 0.406) 7.941 3.253 ( 0.000 12.773 -1.240) 12.833 3.488 ( 0.000 29.810 2.056) 29.881 3.528 ( -0.000 9.518 1.971) 9.720 4.525 ( -0.000 -15.628 -1.075) 15.665 5.133 ( 0.000 19.390 -0.419) 19.395 5.527 ( 0.000 14.790 -4.846) 15.563 5.897 ( 0.000 26.099 -7.712) 27.214 6.126 ( -0.000 -0.519 2.431) 2.486 6.337 ( -0.000 5.084 8.733) 10.105 7.340 ( -0.000 -11.806 1.871) 11.954 7.669 ( -0.000 4.141 5.693) 7.040 8.083 ( 0.000 -2.980 -3.901) 4.910 8.744 ( 0.000 28.551 -7.356) 29.483 9.348 ( -0.000 7.984 1.650) 8.153 10.179 ( -0.000 4.547 9.531) 10.560 11.334 ( -0.000 -18.527 0.035) 18.527 11.887 ( 0.000 25.096 -9.959) 27.000 13.417 ( -0.000 -9.233 7.292) 11.765 14.499 ( 0.000 0.329 -4.589) 4.601 16.007 ( -0.000 -22.774 -0.387) 22.777 18.616 ( 0.000 7.865 0.002) 7.865 18.808 ( -0.000 -12.280 1.058) 12.326 18.975 ( 0.000 2.305 -0.008) 2.305 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -1.017 7.558 0.758) 7.664 3.424 ( 5.868 11.259 0.031) 12.696 3.634 ( 3.556 12.906 -1.163) 13.438 3.896 ( 11.173 21.841 4.751) 24.988 4.323 ( -4.836 -14.815 -2.396) 15.767 5.282 ( -2.636 15.311 -3.058) 15.834 5.651 ( 1.844 7.901 -4.661) 9.357 6.016 ( -5.278 8.025 1.613) 9.740 6.262 ( 7.877 10.524 -5.087) 14.095 6.469 ( 3.544 14.635 8.153) 17.123 7.126 ( -6.392 -16.755 -0.254) 17.935 7.697 ( -2.129 4.350 6.081) 7.774 8.174 ( 13.715 -2.621 -4.187) 14.577 9.003 ( -0.358 18.198 5.134) 18.911 9.502 ( 6.975 10.016 -1.280) 12.273 10.161 ( -6.943 3.244 -2.610) 8.096 11.170 ( 1.837 -14.472 0.492) 14.596 12.175 ( 6.301 25.119 -7.529) 26.969 13.316 ( -3.868 -8.528 9.398) 13.267 14.486 ( -1.701 1.612 -3.183) 3.953 15.805 ( 2.901 -22.675 -0.502) 22.865 18.356 ( -25.779 3.902 0.110) 26.073 18.670 ( -2.337 -11.917 0.382) 12.150 19.270 ( 19.326 5.166 0.038) 20.005 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -1.785 6.298 -0.280) 6.552 3.673 ( 10.539 9.233 1.935) 14.145 3.865 ( 7.685 7.837 -2.725) 11.309 4.074 ( -4.439 -10.360 -2.920) 11.643 4.326 ( 12.108 19.032 6.205) 23.395 5.341 ( -4.908 11.680 -4.214) 13.351 5.704 ( 1.348 -0.850 -6.088) 6.293 6.004 ( -4.122 5.514 6.106) 9.202 6.460 ( 6.177 7.190 -2.340) 9.764 6.766 ( 5.390 19.504 6.124) 21.141 6.862 ( -4.411 -11.539 -5.171) 13.392 7.714 ( -2.204 3.806 6.640) 7.964 8.424 ( 19.245 -6.509 -3.640) 20.640 9.095 ( -1.197 1.766 11.398) 11.596 9.720 ( 4.395 6.623 3.030) 8.506 10.037 ( -9.451 10.446 -17.651) 22.583 11.163 ( 9.925 -5.960 1.041) 11.624 12.555 ( 9.620 23.536 -4.252) 25.779 13.142 ( -8.829 -8.533 9.243) 15.369 14.462 ( -2.581 2.657 -1.642) 4.051 15.644 ( 4.544 -22.221 -0.525) 22.687 17.903 ( -28.112 0.110 0.272) 28.114 18.514 ( -3.408 -8.925 -0.092) 9.554 19.635 ( 16.151 5.335 0.026) 17.009 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 0.000 8.533 0.242) 8.536 3.463 ( 0.000 9.077 -2.130) 9.323 3.689 ( -0.000 5.637 2.367) 6.114 4.020 ( -0.000 14.069 3.167) 14.421 4.245 ( 0.000 -4.211 -1.234) 4.388 5.436 ( 0.000 11.834 -5.399) 13.007 5.698 ( 0.000 5.217 -3.328) 6.188 6.172 ( -0.000 2.604 2.391) 3.535 6.248 ( 0.000 10.812 -5.058) 11.937 6.604 ( -0.000 18.651 6.033) 19.602 7.026 ( -0.000 -15.326 -0.272) 15.329 7.788 ( -0.000 4.412 8.794) 9.838 7.962 ( 0.000 -7.748 -2.442) 8.124 9.248 ( -0.000 17.118 7.779) 18.802 9.505 ( -0.000 6.840 0.825) 6.889 10.236 ( 0.000 4.014 -13.751) 14.325 10.997 ( -0.000 -14.697 -0.000) 14.697 12.338 ( 0.000 22.600 -6.573) 23.537 13.306 ( -0.000 -6.183 12.937) 14.338 14.522 ( 0.000 3.595 -2.760) 4.533 15.561 ( -0.000 -20.951 -0.702) 20.963 18.575 ( -0.000 -9.834 -0.142) 9.835 18.753 ( 0.000 5.663 -0.013) 5.663 19.015 ( -0.000 0.742 0.259) 0.786 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( -2.542 8.034 -0.868) 8.472 3.601 ( 6.592 6.758 -0.906) 9.484 3.797 ( 5.889 4.419 0.439) 7.376 3.984 ( -0.769 -12.471 -2.924) 12.833 4.403 ( 4.948 19.297 6.865) 21.071 5.499 ( -2.379 8.454 -6.850) 11.138 5.713 ( -2.207 2.159 -2.804) 4.171 6.135 ( -4.712 2.313 2.130) 5.665 6.400 ( 7.014 5.766 -2.247) 9.353 6.823 ( -5.321 -9.881 5.459) 12.480 6.883 ( 5.183 19.132 -3.235) 20.084 7.813 ( -1.996 3.601 10.200) 10.999 8.029 ( 14.232 -9.320 -0.437) 17.018 9.245 ( -9.774 2.298 8.897) 13.416 9.680 ( 7.229 3.713 4.191) 9.144 10.217 ( -4.092 11.058 -24.534) 27.220 10.928 ( 7.345 -9.511 0.181) 12.019 12.604 ( 7.411 18.863 -3.934) 20.645 13.234 ( -5.628 -4.643 13.772) 15.585 14.540 ( -2.147 4.784 -1.835) 5.556 15.374 ( 1.761 -19.406 -0.836) 19.504 18.409 ( -26.319 1.115 0.076) 26.342 18.479 ( -3.732 -6.881 -0.344) 7.835 19.345 ( 21.477 2.473 0.107) 21.619 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 0.000 8.694 -1.583) 8.837 3.596 ( 0.000 4.885 -1.765) 5.194 3.778 ( -0.000 2.504 1.609) 2.976 3.857 ( 0.000 -12.601 -3.718) 13.138 4.546 ( -0.000 14.724 7.921) 16.719 5.566 ( 0.000 4.943 -8.000) 9.404 5.767 ( 0.000 3.320 -0.675) 3.388 6.185 ( 0.000 -2.064 -1.625) 2.627 6.371 ( 0.000 4.079 -0.662) 4.132 6.805 ( -0.000 -6.462 1.020) 6.542 7.028 ( 0.000 20.009 1.549) 20.068 7.753 ( -0.000 -12.105 -1.302) 12.175 7.936 ( -0.000 5.021 16.338) 17.092 9.390 ( -0.000 -6.556 9.086) 11.205 9.619 ( 0.000 4.056 0.351) 4.071 10.306 ( 0.000 12.644 -28.214) 30.918 10.762 ( -0.000 -8.402 -0.066) 8.402 12.689 ( 0.000 13.275 -2.591) 13.525 13.282 ( -0.000 -2.702 15.825) 16.054 14.609 ( 0.000 5.479 -1.367) 5.647 15.189 ( -0.000 -14.774 -1.259) 14.827 18.421 ( 0.000 -5.294 -0.817) 5.357 18.839 ( 0.000 2.951 -0.027) 2.951 19.014 ( -0.000 -0.617 0.389) 0.729 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -0.000 -0.000 35.913) 35.913 1.224 ( -0.000 -0.000 35.913) 35.913 2.040 ( -0.000 -0.000 59.954) 59.954 2.523 ( 0.000 0.000 -28.352) 28.352 2.523 ( 0.000 0.000 -28.352) 28.352 3.922 ( -0.000 -0.000 7.483) 7.483 3.922 ( -0.000 -0.000 7.483) 7.483 4.181 ( 0.000 0.000 -45.681) 45.681 6.177 ( -0.000 -0.000 11.625) 11.625 6.301 ( 0.000 0.000 -0.076) 0.076 6.301 ( 0.000 0.000 -0.076) 0.076 7.011 ( 0.000 0.000 -0.016) 0.016 8.024 ( -0.000 -0.000 0.357) 0.357 8.024 ( -0.000 -0.000 0.357) 0.357 8.788 ( 0.000 0.000 -0.455) 0.455 8.788 ( 0.000 0.000 -0.455) 0.455 11.853 ( -0.000 -0.000 0.338) 0.338 12.774 ( -0.000 0.000 0.007) 0.007 12.774 ( -0.000 -0.000 0.007) 0.007 14.225 ( 0.000 0.000 -0.339) 0.339 17.032 ( -0.000 -0.000 0.292) 0.292 17.897 ( -0.000 -0.000 0.005) 0.005 17.897 ( -0.000 -0.000 0.005) 0.005 21.097 ( -0.000 -0.000 0.071) 0.071 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 9.583 5.533 29.170) 31.198 1.558 ( 17.726 10.234 28.824) 35.352 2.469 ( 25.199 14.548 47.204) 55.451 2.567 ( 9.174 5.297 -27.679) 29.637 2.632 ( 11.966 6.909 -23.766) 27.491 4.009 ( 7.138 4.121 7.284) 10.999 4.060 ( 3.791 2.189 -35.575) 35.843 4.202 ( 21.243 12.265 3.607) 24.793 5.706 ( -15.132 -8.737 9.504) 19.891 6.292 ( -0.484 -0.280 0.205) 0.596 6.864 ( 10.812 6.243 -1.558) 12.582 6.977 ( 2.727 1.574 -1.808) 3.631 8.028 ( 0.029 0.017 -0.258) 0.260 8.321 ( 18.559 10.715 7.141) 22.589 8.825 ( 3.231 1.865 -0.187) 3.735 8.964 ( 16.779 9.687 -15.798) 24.999 11.096 ( -29.921 -17.275 9.948) 35.953 12.689 ( -7.170 -4.140 0.004) 8.279 13.817 ( 46.763 26.999 -24.976) 59.494 14.175 ( -4.011 -2.316 -0.337) 4.644 17.101 ( 4.269 2.465 0.076) 4.930 17.922 ( 3.676 2.123 -0.065) 4.246 17.945 ( 4.058 2.343 0.007) 4.686 20.750 ( -25.426 -14.680 8.715) 30.626 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 14.544 8.397 14.191) 21.987 2.057 ( 19.489 11.252 18.939) 29.413 2.751 ( 5.337 3.081 -9.288) 11.146 2.802 ( 14.926 8.618 -21.910) 27.877 3.322 ( 33.438 19.306 25.228) 46.123 4.229 ( 15.825 9.137 -25.067) 31.021 4.282 ( 14.977 8.647 6.457) 18.460 4.950 ( 39.412 22.754 3.150) 45.618 5.439 ( -10.142 -5.856 3.051) 12.102 6.290 ( 0.416 0.240 0.127) 0.497 6.808 ( -4.198 -2.424 -3.099) 5.753 7.190 ( 8.629 4.982 -0.004) 9.964 8.023 ( -0.320 -0.185 -0.440) 0.574 8.561 ( -1.465 -0.846 17.305) 17.388 8.931 ( 5.685 3.282 -0.177) 6.567 9.482 ( 28.011 16.172 -24.095) 40.332 10.740 ( -3.455 -1.995 6.124) 7.309 12.454 ( -12.824 -7.404 0.010) 14.807 14.027 ( -7.479 -4.318 -0.581) 8.656 14.457 ( 14.556 8.404 -21.085) 26.965 17.100 ( -5.986 -3.456 -0.128) 6.913 18.075 ( 6.932 4.002 0.012) 8.004 18.140 ( 14.748 8.515 -0.555) 17.038 20.148 ( -26.601 -15.358 10.755) 32.545 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 22.830 13.181 3.339) 26.573 2.516 ( 17.185 9.922 11.028) 22.702 2.849 ( 5.730 3.308 -9.260) 11.381 3.112 ( 14.445 8.340 -14.172) 21.888 4.069 ( 26.548 15.328 18.488) 35.799 4.620 ( 20.366 11.759 -12.181) 26.485 4.717 ( 21.027 12.140 5.551) 24.906 5.142 ( -12.156 -7.018 2.304) 14.225 5.897 ( 30.006 17.324 0.942) 34.660 6.316 ( 1.946 1.124 -1.578) 2.746 6.825 ( 11.954 6.902 -6.236) 15.147 7.375 ( 7.576 4.374 0.677) 8.774 8.019 ( 0.036 0.021 1.227) 1.228 8.418 ( -11.288 -6.517 10.683) 16.853 9.075 ( 6.637 3.832 -0.965) 7.724 9.989 ( 17.692 10.214 -11.678) 23.531 10.885 ( 13.230 7.638 2.399) 15.463 12.114 ( -16.206 -9.356 0.031) 18.713 13.836 ( -8.485 -4.899 -0.323) 9.803 14.566 ( 0.694 0.401 -11.963) 11.989 16.847 ( -14.824 -8.558 0.110) 17.117 18.253 ( 8.183 4.725 0.017) 9.449 18.505 ( 15.046 8.687 -0.367) 17.377 19.603 ( -21.937 -12.665 7.052) 26.294 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 17.936 10.356 -0.239) 20.712 2.901 ( 14.480 8.360 6.404) 17.905 3.035 ( 15.604 9.009 -9.042) 20.159 3.383 ( 10.937 6.314 -8.474) 15.208 4.619 ( 15.406 8.895 14.450) 22.919 4.842 ( -8.093 -4.672 -0.581) 9.363 5.095 ( 18.471 10.664 -2.895) 21.524 5.252 ( 23.542 13.592 5.557) 27.746 6.179 ( 0.925 0.534 -1.541) 1.875 6.369 ( 3.247 1.874 -4.821) 6.107 7.374 ( 22.387 12.925 -6.933) 26.764 7.539 ( 6.646 3.837 4.927) 9.120 8.029 ( 0.201 0.116 3.635) 3.643 8.236 ( 1.141 0.659 3.000) 3.277 9.226 ( 6.634 3.830 -1.838) 7.878 10.234 ( 5.207 3.006 -3.956) 7.198 11.289 ( 20.222 11.675 1.404) 23.393 11.723 ( -17.240 -9.954 0.074) 19.907 13.651 ( -7.013 -4.049 -1.495) 8.235 14.517 ( -2.090 -1.207 -5.821) 6.301 16.452 ( -18.781 -10.843 0.284) 21.688 18.443 ( 8.014 4.627 0.021) 9.254 18.790 ( 9.297 5.368 -0.213) 10.737 19.166 ( -16.802 -9.701 3.957) 19.801 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 7.050 4.070 -1.469) 8.272 3.213 ( 11.462 6.617 3.997) 13.825 3.555 ( 26.110 15.074 -7.938) 31.176 3.580 ( 7.395 4.270 -5.059) 9.926 4.482 ( -13.825 -7.982 5.296) 16.820 5.094 ( 15.049 8.688 5.370) 18.188 5.472 ( 12.683 7.323 2.864) 14.923 5.800 ( 21.740 12.552 6.569) 25.949 6.164 ( -0.048 -0.028 -2.894) 2.894 6.451 ( 5.470 3.158 -7.797) 10.034 7.351 ( -13.192 -7.616 0.273) 15.235 7.730 ( 6.546 3.779 -2.975) 8.123 8.026 ( -1.784 -1.030 4.349) 4.813 8.704 ( 30.220 17.448 -1.565) 34.930 9.373 ( 6.398 3.694 -1.835) 7.612 10.234 ( -4.171 -2.408 1.815) 5.147 11.334 ( -16.049 -9.266 0.111) 18.532 11.794 ( 22.421 12.945 3.076) 26.071 13.507 ( -4.948 -2.857 -5.558) 7.971 14.477 ( -0.227 -0.131 -1.638) 1.659 16.001 ( -19.839 -11.454 0.442) 22.912 18.616 ( 6.808 3.931 0.023) 7.862 18.807 ( -11.278 -6.512 1.211) 13.079 18.970 ( 2.857 1.649 0.654) 3.363 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 6.942 4.008 -0.121) 8.017 3.447 ( 8.095 4.674 2.640) 9.713 3.707 ( 4.481 2.587 -2.959) 5.961 4.042 ( 6.979 4.029 -3.207) 8.673 4.241 ( 1.874 1.082 -0.531) 2.228 5.394 ( 9.506 5.488 7.000) 13.018 5.678 ( 5.187 2.995 2.517) 6.497 6.183 ( 1.495 0.863 -1.135) 2.066 6.215 ( 11.273 6.509 4.873) 13.899 6.645 ( 14.138 8.163 -6.248) 17.480 7.024 ( -13.015 -7.514 0.552) 15.038 7.852 ( 5.423 3.131 -10.437) 12.172 7.945 ( -6.176 -3.566 2.884) 7.692 9.301 ( 18.160 10.484 -8.140) 22.494 9.511 ( 5.671 3.274 -0.997) 6.624 10.133 ( -2.898 -1.673 17.126) 17.449 10.997 ( -12.723 -7.346 0.094) 14.692 12.304 ( 20.027 11.563 3.811) 23.437 13.388 ( -3.837 -2.215 -11.627) 12.442 14.510 ( 3.044 1.757 1.029) 3.662 15.556 ( -18.241 -10.531 0.679) 21.073 18.571 ( -8.556 -4.940 0.953) 9.926 18.752 ( 4.903 2.830 0.025) 5.661 19.016 ( 0.728 0.420 -0.127) 0.850 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -0.000 18.595 30.147) 35.420 1.586 ( -0.000 10.812 28.074) 30.084 2.507 ( 0.000 10.137 -26.121) 28.019 2.554 ( 0.000 25.402 1.006) 25.422 2.581 ( -0.000 15.491 20.463) 25.665 3.985 ( 0.000 6.100 -37.183) 37.680 4.066 ( -0.000 10.412 4.348) 11.284 4.166 ( -0.000 22.226 5.879) 22.991 5.698 ( -0.000 -19.920 9.524) 22.079 6.288 ( -0.000 -1.249 0.399) 1.311 6.932 ( 0.000 13.227 -4.559) 13.991 6.940 ( 0.000 6.183 -0.038) 6.183 8.033 ( 0.000 0.928 -0.474) 1.042 8.297 ( -0.000 20.761 7.752) 22.161 8.818 ( 0.000 3.066 0.117) 3.068 8.920 ( 0.000 12.432 -11.955) 17.247 11.138 ( -0.000 -31.679 7.140) 32.473 12.689 ( -0.000 -8.296 0.020) 8.296 13.773 ( 0.000 53.134 -21.247) 57.225 14.175 ( -0.000 -4.564 -0.371) 4.579 17.101 ( 0.000 4.854 0.101) 4.855 17.924 ( 0.000 4.434 -0.163) 4.437 17.945 ( 0.000 4.688 0.005) 4.688 20.771 ( -0.000 -28.026 7.035) 28.896 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 3.799 10.972 16.927) 20.527 1.979 ( 12.789 19.137 21.835) 31.726 2.658 ( 8.888 14.118 -22.167) 27.743 2.682 ( 4.281 5.662 -12.143) 14.066 3.154 ( 19.466 31.198 29.891) 47.389 4.086 ( 7.860 16.226 -28.775) 33.957 4.254 ( 6.110 16.463 4.442) 18.113 4.673 ( 23.175 33.713 3.474) 41.057 5.492 ( -5.499 -13.229 5.395) 15.309 6.273 ( -0.072 -1.833 0.166) 1.842 6.846 ( -2.209 -6.238 -0.666) 6.651 7.161 ( 2.586 13.746 -3.100) 14.327 8.042 ( -0.391 1.610 -1.465) 2.212 8.586 ( 3.448 6.571 19.807) 21.151 8.896 ( 4.004 5.027 0.421) 6.441 9.173 ( 18.418 18.283 -22.300) 34.217 10.834 ( -7.438 -6.428 3.717) 10.510 12.525 ( -6.865 -11.936 0.020) 13.770 14.081 ( -3.764 -6.568 -0.230) 7.573 14.300 ( 12.419 22.883 -19.979) 32.818 17.142 ( -0.356 -0.675 -0.107) 0.770 17.915 ( 0.180 0.544 0.008) 0.573 18.159 ( 9.264 16.247 -0.449) 18.708 20.340 ( -15.918 -26.978 8.866) 32.555 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 14.257 16.102 5.425) 22.180 2.426 ( 12.615 17.579 12.593) 25.035 2.765 ( 4.345 2.554 -8.079) 9.522 2.971 ( 12.688 15.654 -14.752) 24.973 3.858 ( 22.391 22.163 20.238) 37.445 4.423 ( 15.266 18.910 -16.654) 29.462 4.618 ( 12.237 21.197 4.918) 24.965 5.240 ( -7.971 -9.961 3.739) 13.294 5.572 ( 32.443 32.405 -0.521) 45.857 6.254 ( 1.508 -3.439 -1.611) 4.086 6.774 ( 0.382 0.448 -2.426) 2.497 7.318 ( 4.533 7.382 -0.432) 8.674 8.038 ( -1.404 0.554 -1.546) 2.161 8.572 ( -7.845 -2.399 14.237) 16.431 9.041 ( 4.936 7.349 -0.441) 8.864 9.697 ( 22.882 12.587 -13.816) 29.545 10.835 ( 4.150 9.642 2.112) 10.707 12.231 ( -11.205 -14.254 0.032) 18.131 13.917 ( -6.934 -6.721 -0.254) 9.660 14.522 ( 3.316 4.429 -12.109) 13.314 17.015 ( -10.712 -5.614 0.002) 12.094 17.978 ( 10.023 -6.131 0.051) 11.750 18.528 ( 9.493 21.862 -0.394) 23.838 19.808 ( -18.325 -20.958 6.651) 28.623 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 20.039 17.977 0.043) 26.921 2.819 ( 11.224 14.980 6.430) 19.792 2.872 ( 7.506 3.754 -6.164) 10.413 3.305 ( 10.121 15.641 -8.872) 20.635 4.436 ( 19.258 14.072 11.680) 26.558 4.871 ( 13.020 12.565 -1.860) 18.190 4.957 ( -2.987 -4.869 -2.470) 6.223 5.120 ( 13.459 21.467 5.832) 26.000 6.151 ( 4.485 4.568 -0.298) 6.408 6.288 ( 6.543 -0.044 -4.231) 7.792 7.070 ( 25.265 19.363 -4.537) 32.153 7.470 ( 5.991 4.028 2.243) 7.560 7.968 ( -2.381 -7.703 -1.699) 8.240 8.459 ( -9.360 9.991 10.597) 17.313 9.197 ( 4.051 8.336 -1.593) 9.404 10.066 ( 13.695 1.722 -8.453) 16.186 11.132 ( 13.788 15.351 2.345) 20.767 11.872 ( -13.323 -13.868 0.083) 19.231 13.722 ( -7.322 -6.546 -0.824) 9.856 14.523 ( -1.296 -0.929 -5.784) 6.000 16.689 ( -18.179 -7.559 0.193) 19.689 18.114 ( 15.243 -11.713 0.045) 19.223 18.875 ( 5.035 21.075 -0.181) 21.669 19.337 ( -15.931 -15.585 3.791) 22.607 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 6.907 5.358 -1.343) 8.844 3.153 ( 10.050 13.246 0.729) 16.643 3.214 ( 22.082 13.444 -1.998) 25.929 3.594 ( 6.704 17.311 -6.161) 19.559 4.611 ( -11.015 -11.671 5.484) 16.960 4.909 ( 16.332 8.714 2.705) 18.708 5.338 ( 14.584 12.737 2.418) 19.514 5.632 ( 16.727 19.877 5.876) 26.635 6.157 ( 0.261 -1.187 -2.380) 2.672 6.372 ( 4.835 1.597 -6.481) 8.242 7.421 ( -3.884 -6.114 -3.288) 7.955 7.635 ( 6.752 1.945 -0.098) 7.027 8.005 ( 12.127 6.142 3.111) 13.945 8.581 ( 4.868 23.783 4.057) 24.613 9.338 ( 3.704 7.348 -1.443) 8.355 10.179 ( 4.486 -6.254 -4.651) 8.993 11.485 ( -9.423 -7.726 -0.740) 12.208 11.618 ( 14.153 14.830 4.502) 20.989 13.538 ( -5.628 -6.565 -3.485) 9.323 14.475 ( -0.991 -1.434 -1.646) 2.398 16.261 ( -21.264 -8.579 0.368) 22.933 18.254 ( 16.609 -16.233 -0.005) 23.224 18.951 ( -12.639 -10.104 1.279) 16.232 19.127 ( -0.470 18.415 0.471) 18.427 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 6.789 2.649 -0.701) 7.321 3.419 ( 5.990 11.801 1.484) 13.318 3.636 ( 10.549 8.172 -1.707) 13.453 3.934 ( 13.179 20.780 -6.606) 25.478 4.303 ( -10.412 -11.489 3.629) 15.924 5.256 ( 13.744 5.040 4.923) 15.445 5.620 ( 6.186 5.201 4.588) 9.293 6.024 ( 10.876 3.006 -0.709) 11.306 6.232 ( 4.549 10.261 3.828) 11.859 6.519 ( 10.136 8.686 -6.838) 14.998 7.128 ( -11.745 -13.679 -0.825) 18.048 7.741 ( 5.765 0.470 -6.977) 9.062 8.142 ( -7.727 10.445 5.430) 14.082 9.041 ( 17.724 12.767 -6.241) 22.718 9.494 ( 6.010 9.564 1.403) 11.383 10.133 ( 0.823 -8.027 5.840) 9.961 11.173 ( -13.661 -5.385 -0.490) 14.692 12.133 ( 18.751 18.674 4.926) 26.917 13.377 ( -3.572 -7.218 -8.675) 11.837 14.472 ( 2.028 -0.509 0.985) 2.312 15.802 ( -21.161 -8.848 0.553) 22.942 18.357 ( 16.269 -20.325 -0.096) 26.034 18.669 ( -9.182 -8.004 0.701) 12.201 19.270 ( -5.134 19.337 0.022) 20.007 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -0.000 13.166 10.431) 16.797 2.114 ( -0.000 22.760 20.358) 30.536 2.680 ( 0.000 16.443 -18.782) 24.962 2.686 ( 0.000 5.690 -9.641) 11.195 3.398 ( -0.000 34.649 26.832) 43.823 4.160 ( 0.000 23.567 -25.493) 34.717 4.372 ( 0.000 18.844 0.463) 18.850 4.895 ( -0.000 45.810 6.326) 46.245 5.410 ( -0.000 -13.514 4.877) 14.367 6.262 ( -0.000 -1.503 1.771) 2.323 6.766 ( -0.000 -8.675 -0.029) 8.675 7.301 ( 0.000 14.396 -7.454) 16.211 8.055 ( 0.000 1.850 -2.435) 3.058 8.688 ( -0.000 3.592 19.090) 19.425 8.907 ( -0.000 5.401 1.288) 5.552 9.158 ( 0.000 21.649 -12.598) 25.048 10.853 ( 0.000 0.119 -1.635) 1.639 12.454 ( -0.000 -14.806 0.037) 14.806 14.024 ( -0.000 -8.612 -0.419) 8.622 14.394 ( 0.000 18.505 -16.090) 24.521 17.099 ( -0.000 -6.871 -0.010) 6.871 18.075 ( 0.000 8.006 0.007) 8.006 18.142 ( 0.000 17.065 -0.740) 17.081 20.195 ( -0.000 -30.651 7.088) 31.460 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 4.697 19.659 3.620) 20.534 2.461 ( 8.592 20.314 11.656) 24.947 2.730 ( 1.569 3.895 -5.456) 6.885 2.910 ( 9.663 17.684 -11.392) 23.149 3.874 ( 10.079 28.634 19.372) 36.011 4.420 ( 6.417 25.412 -16.904) 31.188 4.668 ( 9.150 23.079 0.347) 24.829 5.239 ( -3.996 -12.347 3.694) 13.493 5.536 ( 15.248 44.725 2.635) 47.326 6.230 ( -2.112 -2.251 0.686) 3.162 6.724 ( 3.031 -3.571 2.007) 5.096 7.388 ( -1.691 10.642 -6.581) 12.627 8.058 ( -1.332 0.292 -3.475) 3.733 8.671 ( -1.947 -4.232 7.940) 9.205 9.019 ( 5.180 6.883 0.817) 8.653 9.507 ( 12.567 19.346 1.268) 23.105 10.903 ( 0.884 11.866 -3.964) 12.542 12.231 ( -6.722 -16.839 0.049) 18.131 13.914 ( -2.260 -9.727 0.015) 9.987 14.509 ( 1.438 6.213 -10.785) 12.529 17.015 ( 0.494 -12.015 0.013) 12.025 17.979 ( -10.382 5.634 -0.079) 11.813 18.528 ( 14.054 19.160 -0.410) 23.765 19.825 ( -9.387 -26.409 5.009) 28.472 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 13.060 22.893 -0.268) 26.357 2.789 ( 3.745 5.409 -1.528) 6.754 2.845 ( 9.106 16.915 3.140) 19.465 3.270 ( 11.998 17.909 -5.263) 22.189 4.349 ( 12.076 19.876 10.378) 25.467 4.804 ( 11.978 22.711 -5.979) 26.363 4.968 ( -4.849 -8.094 -0.166) 9.437 5.159 ( 10.284 21.384 2.532) 23.863 6.131 ( 4.876 8.123 0.353) 9.481 6.181 ( 4.638 4.986 -2.171) 7.147 6.919 ( 14.928 19.133 3.115) 24.467 7.456 ( 1.101 6.413 -2.055) 6.823 7.956 ( -5.345 -6.986 -4.902) 10.070 8.675 ( -0.107 7.522 6.356) 9.848 9.201 ( 5.872 8.458 -0.459) 10.306 9.853 ( 10.634 6.108 0.424) 12.270 11.120 ( 7.488 18.132 -2.247) 19.746 11.915 ( -9.532 -16.540 0.090) 19.090 13.752 ( -5.067 -9.497 -0.007) 10.765 14.521 ( -0.763 -0.324 -5.524) 5.586 16.842 ( -7.132 -12.276 0.066) 14.198 17.884 ( -1.580 -2.678 0.013) 3.109 18.941 ( 10.863 18.727 -0.070) 21.650 19.408 ( -11.874 -20.301 2.798) 23.684 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 4.021 6.645 -0.760) 7.804 2.976 ( 18.071 17.929 -3.310) 25.670 3.194 ( 8.859 17.925 2.930) 20.208 3.634 ( 9.375 19.281 -3.587) 21.737 4.663 ( -6.264 -9.830 7.210) 13.706 4.759 ( 9.174 7.582 -2.312) 12.124 5.246 ( 13.600 18.283 0.411) 22.790 5.641 ( 11.806 25.959 4.893) 28.934 6.094 ( 1.640 -5.501 -3.157) 6.551 6.310 ( 2.630 2.192 -2.829) 4.442 7.386 ( 4.020 2.946 -2.523) 5.586 7.554 ( 5.386 3.152 3.908) 7.363 7.879 ( 9.040 10.666 -3.360) 14.380 8.830 ( -0.441 20.005 6.210) 20.951 9.359 ( 2.963 7.251 -0.698) 7.864 9.989 ( 6.229 -5.910 -4.317) 9.611 11.501 ( 11.311 19.290 0.097) 22.362 11.605 ( -6.680 -10.759 1.159) 12.717 13.557 ( -6.138 -9.492 -1.158) 11.363 14.476 ( -1.483 -2.013 -1.775) 3.066 16.521 ( -16.435 -10.048 0.204) 19.264 17.869 ( 7.706 -11.943 -0.005) 14.214 19.035 ( -11.055 -14.981 1.172) 18.655 19.267 ( 5.766 17.391 0.102) 18.323 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 4.664 2.842 -0.665) 5.502 3.428 ( 10.521 16.248 -4.480) 19.868 3.548 ( 12.109 16.907 4.702) 21.322 3.969 ( 7.510 21.260 -4.588) 23.009 4.360 ( -10.225 -14.135 2.424) 17.613 5.069 ( 13.601 5.648 2.632) 14.961 5.598 ( 7.489 11.101 4.581) 14.153 5.926 ( 2.371 2.601 -2.363) 4.239 6.240 ( 10.752 13.877 4.494) 18.121 6.409 ( 8.166 5.726 -5.451) 11.366 7.174 ( -10.351 -14.351 -1.848) 17.791 7.647 ( 4.183 0.997 -3.713) 5.681 8.314 ( 8.409 19.415 5.713) 21.916 9.037 ( -1.077 18.685 -6.027) 19.663 9.479 ( 6.259 5.867 5.993) 10.465 9.983 ( 4.812 -10.215 -2.303) 11.524 11.333 ( -9.991 -4.136 -1.156) 10.875 12.026 ( 18.271 21.651 4.189) 28.638 13.349 ( -5.464 -10.575 -4.482) 12.719 14.441 ( 0.230 -1.795 0.592) 1.904 16.097 ( -21.150 -8.371 0.377) 22.749 17.891 ( 12.350 -19.198 -0.122) 22.828 18.734 ( -8.857 -10.825 0.356) 13.991 19.493 ( 0.741 16.759 0.042) 16.776 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 0.000 24.226 -0.126) 24.226 2.601 ( -0.000 19.280 7.482) 20.681 2.758 ( 0.000 5.081 -1.568) 5.317 2.976 ( 0.000 17.754 -5.906) 18.711 4.127 ( -0.000 28.947 14.788) 32.505 4.608 ( 0.000 27.656 -12.904) 30.518 4.812 ( 0.000 25.152 -3.118) 25.345 5.148 ( -0.000 -13.655 1.597) 13.748 5.867 ( 0.000 38.401 3.741) 38.583 6.254 ( -0.000 -0.305 3.879) 3.891 6.691 ( -0.000 6.481 5.276) 8.357 7.495 ( 0.000 9.575 -9.580) 13.545 8.081 ( 0.000 2.025 -4.333) 4.783 8.576 ( 0.000 -12.555 -3.582) 13.056 9.039 ( -0.000 6.854 2.273) 7.221 9.657 ( -0.000 21.971 16.700) 27.597 11.020 ( 0.000 16.304 -8.394) 18.338 12.114 ( -0.000 -18.691 0.039) 18.691 13.826 ( -0.000 -10.692 0.549) 10.706 14.526 ( 0.000 2.709 -8.108) 8.548 16.848 ( -0.000 -16.964 -0.015) 16.964 18.253 ( 0.000 9.452 0.006) 9.452 18.505 ( 0.000 17.289 -0.409) 17.294 19.645 ( -0.000 -26.040 3.114) 26.226 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 4.193 26.096 -1.230) 26.459 2.815 ( 0.015 6.582 1.056) 6.666 2.872 ( 7.887 17.743 0.916) 19.439 3.238 ( 9.968 16.684 -0.133) 19.436 4.462 ( 3.675 24.210 7.940) 25.743 4.884 ( 3.475 17.810 -3.595) 18.499 4.962 ( -3.681 -4.145 -3.394) 6.500 5.185 ( 11.115 24.132 -3.458) 26.793 6.145 ( 1.175 4.411 0.602) 4.604 6.235 ( -1.819 5.104 3.330) 6.360 6.961 ( 8.019 28.443 10.211) 31.266 7.537 ( -2.427 7.193 -5.973) 9.659 7.998 ( -7.540 -3.691 -6.355) 10.529 8.577 ( 12.341 -2.552 -6.534) 14.195 9.172 ( 5.801 7.518 1.840) 9.673 9.892 ( -0.017 13.253 16.254) 20.972 11.210 ( 3.282 20.329 -8.141) 22.143 11.873 ( -5.324 -18.401 0.058) 19.156 13.707 ( -1.752 -10.758 1.238) 10.969 14.517 ( -0.570 -0.659 -4.920) 4.996 16.691 ( 2.518 -19.409 -0.074) 19.572 18.115 ( -17.765 7.314 -0.045) 19.212 18.874 ( 15.649 14.707 0.053) 21.476 19.353 ( -5.674 -21.735 1.470) 22.512 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 3.488 5.933 -0.121) 6.884 2.961 ( 7.718 24.538 1.097) 25.747 3.210 ( 10.054 17.462 -1.593) 20.212 3.618 ( 13.196 17.206 1.426) 21.731 4.682 ( -7.493 -14.370 2.233) 16.359 4.753 ( 3.709 16.363 -1.305) 16.828 5.252 ( 8.506 21.570 -1.475) 23.233 5.666 ( 15.450 24.313 -2.419) 28.908 6.077 ( -5.276 -2.228 1.667) 5.965 6.298 ( 1.512 2.662 0.762) 3.155 7.368 ( 3.137 6.541 2.868) 7.801 7.545 ( 0.343 2.877 5.922) 6.592 7.900 ( 1.961 15.018 -9.377) 17.813 8.860 ( 15.323 9.209 -2.544) 18.058 9.357 ( 5.377 6.859 -0.271) 8.720 9.949 ( -4.839 1.743 7.542) 9.129 11.508 ( 8.115 15.400 -1.917) 17.513 11.614 ( -4.831 -6.539 -1.851) 8.338 13.548 ( -4.552 -10.789 1.383) 11.792 14.477 ( -1.396 -1.959 -2.057) 3.165 16.522 ( -0.536 -19.194 -0.090) 19.201 17.869 ( -14.203 0.678 0.022) 14.219 19.036 ( -7.293 -17.016 0.823) 18.531 19.268 ( 11.980 13.583 -0.218) 18.112 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 2.182 3.779 -0.000) 4.363 3.397 ( 12.717 22.026 -0.000) 25.433 3.547 ( 9.402 16.285 -0.000) 18.804 4.017 ( 10.709 18.549 -0.000) 21.418 4.383 ( -8.395 -14.540 -0.000) 16.790 4.968 ( 5.641 9.771 -0.000) 11.283 5.591 ( 8.723 15.108 -0.000) 17.445 5.948 ( -3.435 -5.949 -0.000) 6.869 6.180 ( 14.058 24.350 -0.000) 28.117 6.367 ( 2.748 4.759 0.000) 5.495 7.191 ( -8.360 -14.481 -0.000) 16.721 7.610 ( 1.307 2.264 0.000) 2.614 8.327 ( 14.779 25.598 -0.000) 29.558 9.236 ( 10.549 18.271 -0.000) 21.098 9.412 ( -2.082 -3.605 -0.000) 4.163 9.857 ( -2.456 -4.254 -0.000) 4.912 11.406 ( -3.598 -6.232 -0.000) 7.197 11.972 ( 14.282 24.736 -0.000) 28.563 13.338 ( -6.767 -11.721 -0.000) 13.534 14.431 ( -1.095 -1.896 -0.000) 2.190 16.269 ( -8.849 -15.327 -0.000) 17.698 17.657 ( -5.220 -9.042 -0.000) 10.441 18.758 ( -7.322 -12.682 -0.000) 14.644 19.571 ( 7.492 12.976 -0.000) 14.983 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 0.000 18.949 -3.191) 19.215 2.941 ( -0.000 18.278 5.189) 19.000 2.962 ( 0.000 15.834 -1.338) 15.891 3.298 ( -0.000 14.128 2.871) 14.417 4.695 ( -0.000 23.386 4.947) 23.904 4.840 ( 0.000 -14.231 -1.603) 14.321 5.118 ( 0.000 23.558 -6.462) 24.428 5.330 ( 0.000 27.886 -5.707) 28.464 6.161 ( -0.000 -0.502 0.961) 1.084 6.291 ( -0.000 1.872 6.405) 6.673 7.225 ( -0.000 26.817 12.979) 29.792 7.619 ( 0.000 5.782 -5.179) 7.763 8.090 ( 0.000 0.760 -5.122) 5.178 8.344 ( 0.000 0.002 -12.664) 12.664 9.196 ( -0.000 7.611 2.488) 8.007 10.075 ( -0.000 10.758 18.294) 21.223 11.376 ( 0.000 22.820 -10.198) 24.995 11.723 ( -0.000 -19.882 0.011) 19.882 13.621 ( -0.000 -10.045 2.823) 10.434 14.504 ( 0.000 -1.197 -3.707) 3.896 16.455 ( -0.000 -21.570 -0.211) 21.571 18.443 ( 0.000 9.256 -0.000) 9.256 18.788 ( 0.000 10.481 0.157) 10.482 19.191 ( -0.000 -19.762 0.373) 19.766 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 0.930 8.143 0.546) 8.214 3.139 ( 1.813 19.633 3.473) 20.020 3.225 ( 5.786 21.774 -3.680) 22.828 3.557 ( 11.840 14.471 4.640) 19.264 4.635 ( -4.763 -16.087 -1.873) 16.882 4.921 ( -0.536 20.018 -0.831) 20.042 5.358 ( 3.482 19.936 -3.636) 20.562 5.671 ( 8.362 24.145 -5.983) 26.243 6.142 ( -1.150 -0.141 2.105) 2.403 6.329 ( -0.276 4.021 6.271) 7.455 7.397 ( -2.050 -2.859 3.921) 5.268 7.616 ( -2.806 3.622 5.136) 6.883 8.043 ( -0.992 14.010 -8.319) 16.324 8.615 ( 17.355 12.835 -6.191) 22.456 9.329 ( 5.216 7.501 1.129) 9.206 10.127 ( -6.657 3.589 10.764) 13.155 11.483 ( -2.692 -13.392 0.055) 13.660 11.658 ( 5.422 20.858 -7.439) 22.799 13.512 ( -2.537 -9.483 4.237) 10.692 14.477 ( -0.942 -1.124 -2.115) 2.573 16.264 ( 3.195 -22.641 -0.314) 22.867 18.254 ( -22.375 6.242 0.025) 23.229 18.954 ( -2.068 -15.649 0.401) 15.790 19.130 ( 15.771 8.280 -0.434) 17.818 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( -0.000 8.179 1.013) 8.242 3.237 ( 0.000 12.816 -3.162) 13.200 3.512 ( -0.000 29.941 5.141) 30.379 3.549 ( -0.000 9.236 4.124) 10.115 4.510 ( 0.000 -16.124 -3.247) 16.448 5.122 ( 0.000 18.273 -3.040) 18.524 5.496 ( 0.000 14.954 -4.245) 15.544 5.846 ( 0.000 25.419 -7.500) 26.503 6.144 ( -0.000 -0.113 2.932) 2.934 6.396 ( -0.000 5.786 8.712) 10.458 7.350 ( -0.000 -13.695 0.846) 13.721 7.704 ( -0.000 5.190 4.811) 7.077 8.055 ( 0.000 -2.423 -4.455) 5.071 8.709 ( 0.000 32.709 -3.128) 32.859 9.360 ( -0.000 7.644 1.889) 7.874 10.225 ( -0.000 -0.592 4.311) 4.351 11.334 ( -0.000 -18.524 -0.041) 18.524 11.829 ( 0.000 25.615 -7.243) 26.620 13.465 ( -0.000 -7.431 7.010) 10.216 14.478 ( 0.000 0.289 -1.720) 1.744 16.004 ( -0.000 -22.847 -0.448) 22.851 18.616 ( 0.000 7.863 -0.012) 7.863 18.811 ( -0.000 -12.604 -0.039) 12.604 18.973 ( 0.000 2.653 -0.395) 2.683 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.000 -0.000 35.117) 35.117 1.459 ( -0.000 -0.000 35.117) 35.117 2.330 ( 0.000 0.000 -30.096) 30.096 2.330 ( 0.000 0.000 -30.096) 30.096 2.432 ( -0.000 -0.000 58.357) 58.357 3.869 ( 0.000 0.000 -48.561) 48.561 3.964 ( -0.000 -0.000 5.093) 5.093 3.964 ( -0.000 -0.000 5.093) 5.093 6.241 ( -0.000 -0.000 7.739) 7.739 6.300 ( 0.000 0.000 -0.057) 0.057 6.300 ( 0.000 0.000 -0.057) 0.057 7.010 ( 0.000 0.000 -0.018) 0.018 8.027 ( -0.000 -0.000 0.285) 0.285 8.027 ( -0.000 -0.000 0.285) 0.285 8.785 ( 0.000 0.000 -0.356) 0.356 8.785 ( 0.000 0.000 -0.356) 0.356 11.855 ( -0.000 -0.000 0.240) 0.240 12.774 ( -0.000 -0.000 0.006) 0.006 12.774 ( -0.000 -0.000 0.006) 0.006 14.224 ( 0.000 0.000 -0.235) 0.235 17.034 ( -0.000 -0.000 0.229) 0.229 17.897 ( -0.000 -0.000 0.004) 0.004 17.897 ( -0.000 -0.000 0.004) 0.004 21.097 ( -0.000 -0.000 0.048) 0.048 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 5.824 3.362 27.487) 28.298 1.749 ( 14.951 8.632 28.910) 33.672 2.380 ( 10.407 6.009 -28.772) 31.181 2.475 ( 15.626 9.022 -23.358) 29.516 2.782 ( 19.371 11.184 46.893) 51.955 3.807 ( 6.926 3.999 -39.932) 40.725 4.051 ( 7.260 4.192 5.274) 9.904 4.224 ( 21.301 12.298 2.377) 24.711 5.756 ( -16.147 -9.322 5.478) 19.433 6.293 ( -0.421 -0.243 0.071) 0.491 6.860 ( 11.923 6.884 0.256) 13.770 6.966 ( 1.696 0.979 -1.537) 2.490 8.027 ( -0.137 -0.079 -0.089) 0.182 8.360 ( 24.332 14.048 4.557) 28.463 8.824 ( 3.291 1.900 -0.245) 3.808 8.878 ( 8.995 5.193 -10.119) 14.501 11.149 ( -29.785 -17.197 6.142) 34.937 12.689 ( -7.170 -4.140 -0.004) 8.279 13.690 ( 43.410 25.063 -13.938) 52.028 14.173 ( -4.092 -2.362 -0.204) 4.729 17.102 ( 4.151 2.397 0.097) 4.794 17.922 ( 3.617 2.088 -0.011) 4.176 17.945 ( 4.060 2.344 0.005) 4.688 20.794 ( -23.159 -13.371 4.733) 27.158 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 10.815 6.244 11.993) 17.314 2.180 ( 16.687 9.634 17.674) 26.147 2.660 ( 17.297 9.986 -20.492) 28.615 2.686 ( 6.198 3.578 -9.309) 11.742 3.494 ( 30.286 17.486 25.652) 43.371 4.063 ( 19.861 11.467 -24.272) 33.393 4.321 ( 14.945 8.628 5.250) 18.037 4.962 ( 40.226 23.225 0.347) 46.450 5.452 ( -11.917 -6.880 0.963) 13.794 6.288 ( 0.168 0.097 -0.548) 0.581 6.789 ( -5.199 -3.002 -2.445) 6.482 7.198 ( 9.129 5.271 2.391) 10.810 8.023 ( -0.087 -0.050 0.488) 0.499 8.671 ( -3.050 -1.761 15.621) 16.013 8.928 ( 5.552 3.206 -0.611) 6.440 9.324 ( 30.471 17.592 -23.402) 42.257 10.779 ( -3.880 -2.240 5.518) 7.108 12.454 ( -12.820 -7.401 -0.005) 14.803 14.023 ( -7.240 -4.180 -0.449) 8.372 14.349 ( 15.751 9.094 -11.589) 21.566 17.100 ( -5.955 -3.438 -0.047) 6.877 18.075 ( 6.933 4.003 0.008) 8.006 18.137 ( 14.664 8.467 -0.181) 16.934 20.203 ( -26.707 -15.419 6.163) 31.448 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 21.096 12.180 3.359) 24.590 2.583 ( 15.615 9.015 8.825) 20.074 2.796 ( 5.729 3.308 -6.781) 9.473 3.025 ( 16.207 9.357 -11.697) 22.068 4.171 ( 24.389 14.081 11.184) 30.301 4.551 ( 24.027 13.872 -7.413) 28.718 4.753 ( 21.010 12.130 5.329) 24.838 5.153 ( -12.929 -7.465 1.019) 14.964 5.898 ( 30.837 17.803 -0.664) 35.613 6.301 ( 1.244 0.718 -2.814) 3.159 6.779 ( 10.811 6.242 -7.347) 14.485 7.394 ( 7.540 4.353 4.911) 9.996 8.032 ( 0.618 0.357 2.697) 2.790 8.485 ( -12.645 -7.301 9.357) 17.342 9.066 ( 6.402 3.696 -1.609) 7.565 9.893 ( 20.446 11.805 -16.753) 28.949 10.915 ( 12.553 7.247 6.337) 15.820 12.114 ( -16.196 -9.351 0.008) 18.701 13.833 ( -8.610 -4.971 -0.457) 9.953 14.508 ( 1.952 1.127 -5.466) 5.913 16.848 ( -14.769 -8.527 0.103) 17.054 18.253 ( 8.185 4.726 0.011) 9.451 18.503 ( 15.086 8.710 -0.091) 17.421 19.640 ( -22.532 -13.009 3.843) 26.300 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 17.189 9.924 1.309) 19.891 2.940 ( 13.776 7.954 4.911) 16.648 2.982 ( 15.682 9.054 -7.144) 19.466 3.331 ( 11.939 6.893 -6.833) 15.386 4.692 ( 18.578 10.726 6.392) 22.384 4.836 ( -12.012 -6.935 -0.722) 13.889 5.090 ( 20.451 11.808 1.706) 23.677 5.291 ( 23.747 13.711 6.014) 28.073 6.169 ( 0.140 0.081 -1.373) 1.383 6.333 ( 2.403 1.388 -6.040) 6.647 7.308 ( 22.241 12.841 -11.847) 28.283 7.580 ( 7.590 4.382 6.403) 10.854 8.057 ( 0.531 0.307 4.731) 4.770 8.274 ( -0.715 -0.413 8.277) 8.318 9.212 ( 6.570 3.793 -2.313) 7.931 10.179 ( 7.493 4.326 -12.489) 15.193 11.318 ( 19.896 11.487 7.059) 24.034 11.723 ( -17.226 -9.945 0.034) 19.891 13.638 ( -7.764 -4.483 -2.381) 9.276 14.495 ( -1.322 -0.763 -1.040) 1.847 16.454 ( -18.733 -10.815 0.269) 21.633 18.443 ( 8.015 4.628 0.011) 9.255 18.789 ( 9.214 5.320 -0.190) 10.641 19.186 ( -17.108 -9.877 1.890) 19.845 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -0.000 5.618 23.344) 24.011 1.766 ( -0.000 15.676 30.302) 34.117 2.331 ( 0.000 12.136 -27.025) 29.625 2.401 ( 0.000 19.569 -22.492) 29.813 2.880 ( -0.000 19.539 45.746) 49.744 3.725 ( 0.000 10.534 -40.454) 41.803 4.087 ( -0.000 9.772 1.854) 9.947 4.201 ( -0.000 22.837 4.526) 23.281 5.750 ( -0.000 -20.182 5.953) 21.042 6.290 ( -0.000 -0.943 0.332) 1.000 6.903 ( 0.000 17.659 -3.837) 18.071 6.943 ( -0.000 0.439 0.720) 0.843 8.030 ( 0.000 0.432 -0.387) 0.580 8.343 ( -0.000 27.524 5.902) 28.150 8.819 ( 0.000 3.362 0.192) 3.367 8.856 ( 0.000 6.227 -7.322) 9.612 11.173 ( -0.000 -32.618 3.606) 32.817 12.689 ( -0.000 -8.291 0.020) 8.291 13.666 ( 0.000 49.590 -11.203) 50.840 14.173 ( -0.000 -4.703 -0.199) 4.707 17.102 ( 0.000 4.756 0.087) 4.757 17.923 ( 0.000 4.288 -0.099) 4.289 17.945 ( 0.000 4.689 0.003) 4.689 20.805 ( -0.000 -25.958 3.500) 26.193 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 2.169 6.653 11.188) 13.196 2.118 ( 10.561 16.181 19.468) 27.429 2.516 ( 10.132 17.409 -19.720) 28.189 2.606 ( 5.760 8.415 -9.421) 13.883 3.355 ( 16.497 26.366 28.936) 42.481 3.896 ( 10.422 20.454 -27.445) 35.780 4.277 ( 7.190 15.585 2.381) 17.328 4.690 ( 21.804 34.291 1.779) 40.675 5.519 ( -6.691 -13.569 2.824) 15.391 6.273 ( -0.489 -1.745 0.103) 1.815 6.842 ( -2.736 -5.988 -0.348) 6.593 7.146 ( 4.365 12.404 -1.556) 13.242 8.035 ( -0.154 0.934 -0.780) 1.227 8.716 ( 2.165 6.884 19.213) 20.524 8.895 ( 3.885 5.051 -1.083) 6.464 9.033 ( 17.709 21.547 -19.227) 33.876 10.852 ( -6.715 -8.362 1.891) 10.890 12.525 ( -6.871 -11.926 0.011) 13.764 14.080 ( -3.783 -6.550 -0.120) 7.565 14.202 ( 12.985 23.194 -9.828) 28.340 17.142 ( -0.382 -0.687 -0.030) 0.787 17.915 ( 0.232 0.516 0.004) 0.566 18.156 ( 9.244 16.109 -0.200) 18.574 20.383 ( -15.617 -26.744 4.256) 31.260 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 13.114 13.965 3.346) 19.447 2.497 ( 11.314 15.608 7.903) 20.834 2.722 ( 4.308 3.389 -4.497) 7.090 2.887 ( 13.465 18.061 -9.516) 24.455 3.970 ( 19.806 20.096 11.410) 30.435 4.329 ( 18.549 21.589 -9.709) 30.074 4.646 ( 12.979 20.725 3.546) 24.709 5.256 ( -9.191 -10.995 1.279) 14.387 5.565 ( 32.886 34.075 -1.597) 47.383 6.244 ( 0.788 -3.800 -1.422) 4.134 6.757 ( -1.318 1.206 -2.727) 3.260 7.325 ( 6.175 5.977 2.472) 8.942 8.033 ( -0.699 -0.567 0.159) 0.914 8.652 ( -8.490 -3.156 9.599) 13.198 9.034 ( 4.633 7.379 -1.334) 8.814 9.608 ( 21.771 17.036 -12.481) 30.332 10.853 ( 5.445 7.951 3.331) 10.196 12.231 ( -11.206 -14.239 0.004) 18.120 13.915 ( -7.013 -6.720 -0.187) 9.714 14.467 ( 4.369 5.123 -4.551) 8.127 17.015 ( -10.670 -5.589 0.011) 12.046 17.978 ( 10.027 -6.130 0.061) 11.753 18.526 ( 9.544 21.858 -0.115) 23.851 19.840 ( -18.536 -21.384 2.823) 28.440 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 19.953 17.049 0.787) 26.256 2.830 ( 7.459 3.784 -3.226) 8.965 2.863 ( 10.240 14.761 3.219) 18.252 3.256 ( 10.265 16.849 -5.533) 20.491 4.484 ( 18.683 14.109 1.984) 23.496 4.866 ( 17.578 16.125 1.021) 23.876 4.951 ( -6.110 -8.412 0.327) 10.402 5.156 ( 14.209 21.780 5.027) 26.486 6.148 ( 3.645 3.649 -0.494) 5.181 6.260 ( 6.120 0.144 -4.186) 7.416 7.025 ( 23.140 20.994 -8.689) 32.430 7.497 ( 7.313 3.306 5.516) 9.738 7.969 ( -1.205 -9.197 2.258) 9.546 8.525 ( -9.785 9.921 9.181) 16.687 9.185 ( 3.835 8.453 -2.053) 9.507 9.992 ( 13.394 4.383 -13.647) 19.618 11.161 ( 14.667 14.043 6.172) 21.223 11.873 ( -13.298 -13.826 0.015) 19.183 13.715 ( -7.812 -6.711 -1.137) 10.361 14.502 ( -0.564 -0.606 -0.400) 0.919 16.691 ( -18.122 -7.536 0.147) 19.627 18.115 ( 15.231 -11.716 0.045) 19.216 18.874 ( 4.997 21.026 -0.117) 21.612 19.354 ( -16.104 -15.840 1.217) 22.621 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -0.000 10.014 3.315) 10.549 2.237 ( -0.000 18.769 15.232) 24.172 2.569 ( 0.000 20.166 -13.052) 24.021 2.638 ( 0.000 7.955 -3.943) 8.879 3.567 ( -0.000 30.195 22.000) 37.359 3.999 ( 0.000 27.971 -21.430) 35.237 4.368 ( 0.000 18.106 -1.679) 18.184 4.931 ( 0.000 46.410 4.689) 46.646 5.437 ( -0.000 -14.569 3.147) 14.905 6.274 ( -0.000 -0.881 1.577) 1.806 6.768 ( -0.000 -8.050 0.762) 8.086 7.256 ( 0.000 12.899 -6.109) 14.273 8.040 ( 0.000 1.093 -2.039) 2.314 8.779 ( -0.000 -5.028 6.135) 7.932 8.915 ( -0.000 5.794 1.208) 5.919 9.112 ( 0.000 33.630 1.192) 33.652 10.837 ( 0.000 -2.155 -3.095) 3.771 12.454 ( -0.000 -14.802 0.031) 14.802 14.022 ( -0.000 -8.285 -0.262) 8.289 14.318 ( 0.000 18.882 -6.849) 20.086 17.099 ( -0.000 -6.859 0.012) 6.859 18.075 ( 0.000 8.007 0.002) 8.007 18.139 ( 0.000 16.954 -0.408) 16.959 20.227 ( -0.000 -30.726 2.579) 30.835 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 4.724 18.040 0.273) 18.650 2.515 ( 7.491 17.677 3.340) 19.487 2.709 ( 1.380 5.072 -0.678) 5.300 2.861 ( 10.011 20.451 -2.325) 22.888 3.977 ( 8.620 25.999 9.544) 29.006 4.326 ( 8.205 28.352 -9.154) 30.902 4.664 ( 10.399 22.261 -1.707) 24.629 5.256 ( -4.707 -13.661 1.328) 14.510 5.552 ( 14.263 45.695 2.293) 47.924 6.236 ( -3.117 -1.855 1.112) 3.794 6.739 ( 2.667 -2.014 2.556) 4.207 7.350 ( 0.106 9.449 -4.802) 10.600 8.040 ( -1.016 -0.474 -1.896) 2.203 8.692 ( 0.002 -7.962 -1.681) 8.137 9.025 ( 4.467 7.409 1.216) 8.736 9.539 ( 8.643 25.191 7.963) 27.797 10.877 ( 2.294 9.974 -3.908) 10.955 12.231 ( -6.721 -16.827 0.025) 18.120 13.914 ( -2.283 -9.562 0.108) 9.832 14.462 ( 1.989 6.729 -3.252) 7.734 17.015 ( 0.494 -12.012 0.001) 12.022 17.979 ( -10.343 5.625 -0.070) 11.774 18.526 ( 14.113 19.197 -0.141) 23.827 19.845 ( -9.387 -26.757 1.096) 28.377 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 12.913 22.366 -0.000) 25.826 2.782 ( 2.797 4.845 0.000) 5.595 2.858 ( 9.853 17.066 -0.000) 19.706 3.251 ( 11.178 19.360 0.000) 22.355 4.386 ( 11.072 19.178 -0.000) 22.144 4.781 ( 13.861 24.008 0.000) 27.722 4.968 ( -5.258 -9.108 0.000) 10.517 5.168 ( 11.969 20.732 -0.000) 23.939 6.132 ( 3.917 6.784 -0.000) 7.834 6.173 ( 3.828 6.630 -0.000) 7.655 6.929 ( 12.472 21.602 -0.000) 24.944 7.449 ( 3.289 5.698 -0.000) 6.579 7.940 ( -4.905 -8.496 -0.000) 9.810 8.696 ( 3.000 5.196 -0.000) 6.000 9.198 ( 5.118 8.864 -0.000) 10.236 9.855 ( 5.685 9.847 -0.000) 11.370 11.112 ( 9.623 16.667 -0.000) 19.245 11.915 ( -9.536 -16.518 -0.000) 19.073 13.752 ( -5.368 -9.298 -0.000) 10.736 14.503 ( -0.133 -0.231 -0.000) 0.267 16.842 ( -7.093 -12.285 -0.000) 14.185 17.884 ( -1.554 -2.692 -0.000) 3.108 18.941 ( 10.851 18.795 -0.000) 21.702 19.418 ( -11.876 -20.570 -0.000) 23.752 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 0.000 23.511 -2.105) 23.605 2.622 ( 0.000 17.404 -1.815) 17.498 2.763 ( -0.000 6.205 2.952) 6.872 2.969 ( -0.000 19.504 4.140) 19.939 4.196 ( -0.000 26.879 4.369) 27.232 4.542 ( 0.000 29.836 -5.369) 30.316 4.786 ( 0.000 24.577 -4.485) 24.983 5.155 ( -0.000 -14.781 0.366) 14.786 5.888 ( 0.000 36.949 2.322) 37.022 6.279 ( -0.000 0.541 3.621) 3.661 6.731 ( -0.000 9.748 6.806) 11.889 7.437 ( 0.000 9.174 -7.769) 12.022 8.053 ( 0.000 1.411 -3.786) 4.041 8.540 ( 0.000 -14.676 -7.128) 16.315 9.054 ( -0.000 7.110 2.072) 7.406 9.775 ( -0.000 24.152 18.407) 30.366 10.965 ( 0.000 15.049 -8.171) 17.124 12.114 ( -0.000 -18.694 0.017) 18.694 13.830 ( -0.000 -10.264 0.549) 10.279 14.494 ( 0.000 2.900 -1.446) 3.241 16.848 ( -0.000 -17.002 -0.067) 17.002 18.253 ( 0.000 9.452 -0.002) 9.452 18.504 ( 0.000 17.390 -0.158) 17.390 19.654 ( -0.000 -26.244 -0.391) 26.247 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -0.000 -0.000 34.098) 34.098 1.688 ( -0.000 -0.000 34.098) 34.098 2.125 ( 0.000 0.000 -31.588) 31.588 2.125 ( 0.000 0.000 -31.588) 31.588 2.811 ( -0.000 -0.000 55.825) 55.825 3.540 ( 0.000 0.000 -50.832) 50.832 3.989 ( -0.000 -0.000 2.573) 2.573 3.989 ( -0.000 -0.000 2.573) 2.573 6.279 ( -0.000 -0.000 3.862) 3.862 6.300 ( 0.000 0.000 -0.031) 0.031 6.300 ( 0.000 0.000 -0.031) 0.031 7.010 ( 0.000 0.000 -0.013) 0.013 8.028 ( -0.000 -0.000 0.159) 0.159 8.028 ( -0.000 -0.000 0.159) 0.159 8.783 ( 0.000 0.000 -0.195) 0.195 8.783 ( 0.000 0.000 -0.195) 0.195 11.856 ( -0.000 -0.000 0.124) 0.124 12.774 ( -0.000 -0.000 0.003) 0.003 12.774 ( -0.000 -0.000 0.003) 0.003 14.222 ( 0.000 0.000 -0.119) 0.119 17.035 ( -0.000 -0.000 0.126) 0.126 17.897 ( -0.000 -0.000 0.002) 0.002 17.897 ( -0.000 -0.000 0.002) 0.002 21.098 ( -0.000 -0.000 0.024) 0.024 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.974 0.562 19.442) 19.474 1.936 ( 11.887 6.863 26.248) 29.620 2.191 ( 12.479 7.205 -27.274) 30.847 2.336 ( 20.282 11.710 -16.820) 28.834 3.079 ( 13.722 7.923 40.751) 43.723 3.542 ( 11.804 6.815 -37.821) 40.202 4.079 ( 7.551 4.360 3.026) 9.230 4.232 ( 20.752 11.981 0.023) 23.963 5.779 ( -16.806 -9.703 1.544) 19.467 6.293 ( -0.461 -0.266 -0.076) 0.538 6.866 ( 12.949 7.476 1.670) 15.046 6.957 ( 1.000 0.577 -1.298) 1.737 8.027 ( -0.132 -0.076 0.086) 0.175 8.379 ( 28.294 16.335 0.965) 32.685 8.822 ( 3.253 1.878 -0.263) 3.765 8.831 ( 3.232 1.866 -4.060) 5.514 11.178 ( -29.365 -16.954 2.787) 34.022 12.689 ( -7.172 -4.141 -0.011) 8.281 13.628 ( 41.554 23.991 -5.136) 48.257 14.172 ( -4.114 -2.375 -0.075) 4.751 17.102 ( 4.094 2.364 0.051) 4.728 17.922 ( 3.609 2.084 0.025) 4.167 17.945 ( 4.060 2.344 0.003) 4.688 20.815 ( -21.948 -12.672 1.802) 25.407 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 8.470 4.890 5.723) 11.332 2.272 ( 14.060 8.118 6.893) 17.638 2.550 ( 19.672 11.358 -9.459) 24.606 2.639 ( 7.332 4.233 -4.120) 9.415 3.627 ( 25.639 14.803 8.895) 30.913 3.938 ( 24.628 14.219 -8.234) 29.606 4.350 ( 15.202 8.777 3.617) 17.923 4.955 ( 40.457 23.358 -2.376) 46.776 5.452 ( -12.736 -7.353 -1.146) 14.751 6.283 ( -0.246 -0.142 -1.146) 1.181 6.776 ( -6.179 -3.567 -1.605) 7.313 7.221 ( 10.026 5.788 4.412) 12.389 8.029 ( 0.356 0.205 1.355) 1.416 8.760 ( -5.755 -3.323 10.153) 12.135 8.923 ( 5.322 3.073 -0.969) 6.221 9.182 ( 32.462 18.742 -17.997) 41.580 10.812 ( -3.256 -1.880 4.434) 5.814 12.454 ( -12.818 -7.401 -0.019) 14.801 14.021 ( -7.063 -4.078 -0.101) 8.157 14.303 ( 16.192 9.348 -2.307) 18.839 17.099 ( -5.942 -3.431 -0.019) 6.862 18.075 ( 6.934 4.003 0.003) 8.007 18.137 ( 14.644 8.455 0.119) 16.910 20.230 ( -26.659 -15.391 1.770) 30.834 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -0.000 -1.055 5.689) 5.786 1.959 ( -0.000 12.223 25.687) 28.447 2.156 ( 0.000 15.413 -23.472) 28.080 2.293 ( 0.000 25.743 -6.641) 26.586 3.155 ( -0.000 12.525 30.918) 33.359 3.472 ( 0.000 16.887 -29.702) 34.167 4.091 ( 0.000 9.197 -0.628) 9.218 4.224 ( 0.000 23.351 2.344) 23.468 5.777 ( -0.000 -19.929 2.257) 20.057 6.292 ( -0.000 -0.692 0.217) 0.725 6.881 ( 0.000 16.311 -2.809) 16.551 6.949 ( -0.000 0.606 1.035) 1.199 8.028 ( 0.000 0.053 -0.251) 0.257 8.372 ( 0.000 32.404 2.926) 32.536 8.820 ( 0.000 3.604 0.244) 3.612 8.825 ( 0.000 2.399 -2.042) 3.150 11.186 ( -0.000 -33.310 0.382) 33.312 12.689 ( -0.000 -8.285 0.017) 8.285 13.621 ( 0.000 47.805 -2.838) 47.889 14.172 ( -0.000 -4.745 -0.058) 4.746 17.102 ( 0.000 4.716 0.024) 4.717 17.923 ( 0.000 4.204 -0.058) 4.204 17.945 ( 0.000 4.689 0.000) 4.689 20.819 ( -0.000 -25.087 0.760) 25.098 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 2.389 4.138 -0.000) 4.778 2.200 ( 7.877 13.643 -0.000) 15.753 2.434 ( 11.795 20.429 0.000) 23.590 2.572 ( 5.944 10.296 0.000) 11.889 3.479 ( 13.229 22.914 -0.000) 26.458 3.776 ( 13.592 23.542 0.000) 27.184 4.285 ( 8.515 14.749 -0.000) 17.031 4.696 ( 20.270 35.109 -0.000) 40.540 5.529 ( -7.694 -13.327 -0.000) 15.388 6.274 ( -0.900 -1.558 -0.000) 1.799 6.841 ( -3.287 -5.693 -0.000) 6.573 7.141 ( 6.416 11.113 -0.000) 12.832 8.032 ( 0.285 0.494 -0.000) 0.571 8.813 ( -1.833 -3.174 0.000) 3.665 8.873 ( 7.619 13.197 -0.000) 15.239 8.955 ( 14.982 25.949 -0.000) 29.964 10.859 ( -5.512 -9.547 -0.000) 11.024 12.525 ( -6.881 -11.919 -0.000) 13.762 14.080 ( -3.781 -6.549 -0.000) 7.562 14.169 ( 13.341 23.108 -0.000) 26.682 17.142 ( -0.398 -0.689 -0.000) 0.795 17.915 ( 0.282 0.488 -0.000) 0.563 18.156 ( 9.265 16.048 -0.000) 18.531 20.397 ( -15.409 -26.690 -0.000) 30.819 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 5.83e-04 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -0.000 -0.000 0.000) 0.000 1.898 ( -0.000 -0.000 0.000) 0.000 1.924 ( 0.000 0.000 -0.000) 0.000 1.924 ( 0.000 0.000 -0.000) 0.000 3.121 ( -0.000 -0.000 0.000) 0.000 3.246 ( 0.000 0.000 -0.000) 0.000 3.998 ( -0.000 -0.000 0.000) 0.000 3.998 ( -0.000 -0.000 0.000) 0.000 6.292 ( -0.000 -0.000 0.000) 0.000 6.300 ( -0.000 -0.000 0.000) 0.000 6.300 ( -0.000 -0.000 0.000) 0.000 7.010 ( -0.000 -0.000 0.000) 0.000 8.029 ( -0.000 -0.000 0.000) 0.000 8.029 ( -0.000 -0.000 0.000) 0.000 8.783 ( -0.000 -0.000 0.000) 0.000 8.783 ( -0.000 -0.000 0.000) 0.000 11.856 ( -0.000 -0.000 0.000) 0.000 12.774 ( -0.000 -0.000 0.000) 0.000 12.774 ( -0.000 -0.000 0.000) 0.000 14.222 ( -0.000 -0.000 0.000) 0.000 17.036 ( -0.000 -0.000 0.000) 0.000 17.897 ( -0.000 -0.000 0.000) 0.000 17.897 ( -0.000 -0.000 0.000) 0.000 21.098 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/98304 10.0 347.374 347.374 4623.217 -0.000 -0.000 0.000 3/98304 20.0 270.893 270.893 370.844 0.000 -0.000 0.000 3/98304 30.0 112.274 112.274 104.400 0.000 -0.000 0.000 3/98304 40.0 54.035 54.035 45.838 0.000 -0.000 0.000 3/98304 50.0 31.905 31.905 25.674 0.000 -0.000 0.000 3/98304 60.0 21.776 21.776 16.758 0.000 -0.000 0.000 3/98304 70.0 16.268 16.268 12.078 0.000 -0.000 0.000 3/98304 80.0 12.887 12.887 9.311 0.000 -0.000 0.000 3/98304 90.0 10.631 10.631 7.528 0.000 -0.000 0.000 3/98304 100.0 9.036 9.036 6.302 0.000 -0.000 0.000 3/98304 110.0 7.857 7.857 5.416 0.000 -0.000 0.000 3/98304 120.0 6.954 6.954 4.750 0.000 -0.000 0.000 3/98304 130.0 6.244 6.244 4.232 0.000 -0.000 0.000 3/98304 140.0 5.671 5.671 3.819 0.000 -0.000 0.000 3/98304 150.0 5.200 5.200 3.483 0.000 -0.000 0.000 3/98304 160.0 4.806 4.806 3.203 0.000 -0.000 0.000 3/98304 170.0 4.472 4.472 2.967 0.000 -0.000 0.000 3/98304 180.0 4.185 4.185 2.766 0.000 -0.000 0.000 3/98304 190.0 3.936 3.936 2.591 0.000 -0.000 0.000 3/98304 200.0 3.717 3.717 2.438 0.000 -0.000 0.000 3/98304 210.0 3.524 3.524 2.304 0.000 -0.000 0.000 3/98304 220.0 3.351 3.351 2.184 0.000 -0.000 0.000 3/98304 230.0 3.196 3.196 2.077 0.000 -0.000 0.000 3/98304 240.0 3.056 3.056 1.980 0.000 -0.000 0.000 3/98304 250.0 2.928 2.928 1.893 0.000 -0.000 0.000 3/98304 260.0 2.812 2.812 1.813 0.000 -0.000 0.000 3/98304 270.0 2.705 2.705 1.740 0.000 -0.000 0.000 3/98304 280.0 2.607 2.607 1.673 0.000 -0.000 0.000 3/98304 290.0 2.515 2.515 1.611 0.000 -0.000 0.000 3/98304 300.0 2.431 2.431 1.554 0.000 -0.000 0.000 3/98304 310.0 2.352 2.352 1.501 0.000 -0.000 0.000 3/98304 320.0 2.279 2.279 1.451 0.000 -0.000 0.000 3/98304 330.0 2.210 2.210 1.405 0.000 -0.000 0.000 3/98304 340.0 2.145 2.145 1.362 0.000 -0.000 0.000 3/98304 350.0 2.084 2.084 1.321 0.000 -0.000 0.000 3/98304 360.0 2.027 2.027 1.283 0.000 -0.000 0.000 3/98304 370.0 1.973 1.973 1.247 0.000 -0.000 0.000 3/98304 380.0 1.922 1.922 1.213 0.000 -0.000 0.000 3/98304 390.0 1.873 1.873 1.181 0.000 -0.000 0.000 3/98304 400.0 1.827 1.827 1.151 0.000 -0.000 0.000 3/98304 410.0 1.783 1.783 1.122 0.000 -0.000 0.000 3/98304 420.0 1.742 1.742 1.095 0.000 -0.000 0.000 3/98304 430.0 1.702 1.702 1.069 0.000 -0.000 0.000 3/98304 440.0 1.664 1.664 1.044 0.000 -0.000 0.000 3/98304 450.0 1.628 1.628 1.020 0.000 -0.000 0.000 3/98304 460.0 1.593 1.593 0.998 0.000 -0.000 0.000 3/98304 470.0 1.560 1.560 0.976 0.000 -0.000 0.000 3/98304 480.0 1.528 1.528 0.955 0.000 -0.000 0.000 3/98304 490.0 1.497 1.497 0.935 0.000 -0.000 0.000 3/98304 500.0 1.468 1.468 0.917 0.000 -0.000 0.000 3/98304 510.0 1.440 1.440 0.898 0.000 -0.000 0.000 3/98304 520.0 1.413 1.413 0.881 0.000 -0.000 0.000 3/98304 530.0 1.387 1.387 0.864 0.000 -0.000 0.000 3/98304 540.0 1.361 1.361 0.848 0.000 -0.000 0.000 3/98304 550.0 1.337 1.337 0.832 0.000 -0.000 0.000 3/98304 560.0 1.314 1.314 0.817 0.000 -0.000 0.000 3/98304 570.0 1.291 1.291 0.803 0.000 -0.000 0.000 3/98304 580.0 1.269 1.269 0.789 0.000 -0.000 0.000 3/98304 590.0 1.248 1.248 0.775 0.000 -0.000 0.000 3/98304 600.0 1.228 1.228 0.762 0.000 -0.000 0.000 3/98304 610.0 1.208 1.208 0.750 0.000 -0.000 0.000 3/98304 620.0 1.189 1.189 0.738 0.000 -0.000 0.000 3/98304 630.0 1.170 1.170 0.726 0.000 -0.000 0.000 3/98304 640.0 1.153 1.153 0.714 0.000 -0.000 0.000 3/98304 650.0 1.135 1.135 0.703 0.000 -0.000 0.000 3/98304 660.0 1.118 1.118 0.693 0.000 -0.000 0.000 3/98304 670.0 1.102 1.102 0.682 0.000 -0.000 0.000 3/98304 680.0 1.086 1.086 0.672 0.000 -0.000 0.000 3/98304 690.0 1.070 1.070 0.662 0.000 -0.000 0.000 3/98304 700.0 1.055 1.055 0.653 0.000 -0.000 0.000 3/98304 710.0 1.041 1.041 0.644 0.000 -0.000 0.000 3/98304 720.0 1.027 1.027 0.635 0.000 -0.000 0.000 3/98304 730.0 1.013 1.013 0.626 0.000 -0.000 0.000 3/98304 740.0 0.999 0.999 0.617 0.000 -0.000 0.000 3/98304 750.0 0.986 0.986 0.609 0.000 -0.000 0.000 3/98304 760.0 0.974 0.974 0.601 0.000 -0.000 0.000 3/98304 770.0 0.961 0.961 0.593 0.000 -0.000 0.000 3/98304 780.0 0.949 0.949 0.586 0.000 -0.000 0.000 3/98304 790.0 0.937 0.937 0.578 0.000 -0.000 0.000 3/98304 800.0 0.926 0.926 0.571 0.000 -0.000 0.000 3/98304 810.0 0.914 0.914 0.564 0.000 -0.000 0.000 3/98304 820.0 0.903 0.903 0.557 0.000 -0.000 0.000 3/98304 830.0 0.893 0.893 0.550 0.000 -0.000 0.000 3/98304 840.0 0.882 0.882 0.544 0.000 -0.000 0.000 3/98304 850.0 0.872 0.872 0.537 0.000 -0.000 0.000 3/98304 860.0 0.862 0.862 0.531 0.000 -0.000 0.000 3/98304 870.0 0.852 0.852 0.525 0.000 -0.000 0.000 3/98304 880.0 0.843 0.843 0.519 0.000 -0.000 0.000 3/98304 890.0 0.833 0.833 0.513 0.000 -0.000 0.000 3/98304 900.0 0.824 0.824 0.508 0.000 -0.000 0.000 3/98304 910.0 0.815 0.815 0.502 0.000 -0.000 0.000 3/98304 920.0 0.807 0.807 0.497 0.000 -0.000 0.000 3/98304 930.0 0.798 0.798 0.491 0.000 -0.000 0.000 3/98304 940.0 0.790 0.790 0.486 0.000 -0.000 0.000 3/98304 950.0 0.781 0.781 0.481 0.000 -0.000 0.000 3/98304 960.0 0.773 0.773 0.476 0.000 -0.000 0.000 3/98304 970.0 0.766 0.766 0.471 0.000 -0.000 0.000 3/98304 980.0 0.758 0.758 0.466 0.000 -0.000 0.000 3/98304 990.0 0.750 0.750 0.461 0.000 -0.000 0.000 3/98304 1000.0 0.743 0.743 0.457 0.000 -0.000 0.000 3/98304 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:56:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|