----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:40:34]------------------------- 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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.624769710000000 2.624769710000000 5.482265275000000 b 2.624769710000000 -2.624769710000000 5.482265275000000 c 2.624769710000000 2.624769710000000 -5.482265275000000 Atomic positions (fractional): *1 F 0.10067584190717 0.52071105105769 0.94176009519306 18.998 2 F 0.90891574671411 0.35067584190717 0.07996479084948 18.998 3 F 0.27071105105769 0.82895095586463 0.92003520915052 18.998 4 F 0.57895095586463 0.15891574671411 0.05823990480694 18.998 5 F 0.17104904413537 0.09108425328589 0.44176009519306 18.998 6 F 0.47928894894231 0.42104904413537 0.57996479084948 18.998 7 F 0.84108425328589 0.89932415809283 0.42003520915052 18.998 8 F 0.64932415809283 0.72928894894231 0.55823990480694 18.998 *9 Ca 0.25000000000000 0.75000000000000 0.50000000000000 40.078 10 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 *11 Zn 0.75000000000000 0.25000000000000 0.50000000000000 65.380 12 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.249539420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.249539420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.964530549999999 Atomic positions (fractional): *1 F 0.18089765217179 0.76086244302127 0.33981339888590 18.998 > 1 2 F 0.26086244302127 0.81910234782821 0.08981339888590 18.998 > 2 3 F 0.73913755697873 0.18089765217179 0.08981339888590 18.998 > 3 4 F 0.81910234782821 0.23913755697873 0.33981339888590 18.998 > 4 5 F 0.68089765217179 0.76086244302127 0.41018660111410 18.998 > 5 6 F 0.26086244302127 0.31910234782821 0.16018660111410 18.998 > 6 7 F 0.73913755697873 0.68089765217179 0.16018660111410 18.998 > 7 8 F 0.31910234782821 0.23913755697873 0.41018660111410 18.998 > 8 9 F 0.68089765217179 0.26086244302127 0.83981339888590 18.998 > 1 10 F 0.76086244302127 0.31910234782821 0.58981339888590 18.998 > 2 11 F 0.23913755697873 0.68089765217179 0.58981339888590 18.998 > 3 12 F 0.31910234782821 0.73913755697873 0.83981339888590 18.998 > 4 13 F 0.18089765217179 0.26086244302127 0.91018660111410 18.998 > 5 14 F 0.76086244302127 0.81910234782821 0.66018660111410 18.998 > 6 15 F 0.23913755697873 0.18089765217179 0.66018660111410 18.998 > 7 16 F 0.81910234782821 0.73913755697873 0.91018660111410 18.998 > 8 *17 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 9 18 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 10 19 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 9 20 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 10 *21 Zn 0.00000000000000 0.50000000000000 0.25000000000000 65.380 > 11 22 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 12 23 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 11 24 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.499078839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.499078839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.964530549999999 Atomic positions (fractional): *1 F 0.09044882608589 0.38043122151063 0.33981339888590 18.998 > 1 2 F 0.59044882608589 0.38043122151063 0.33981339888590 18.998 > 1 3 F 0.09044882608589 0.88043122151063 0.33981339888590 18.998 > 1 4 F 0.59044882608589 0.88043122151063 0.33981339888590 18.998 > 1 5 F 0.13043122151063 0.40955117391411 0.08981339888590 18.998 > 2 6 F 0.63043122151063 0.40955117391411 0.08981339888590 18.998 > 2 7 F 0.13043122151063 0.90955117391411 0.08981339888590 18.998 > 2 8 F 0.63043122151063 0.90955117391411 0.08981339888590 18.998 > 2 9 F 0.36956877848937 0.09044882608589 0.08981339888590 18.998 > 3 10 F 0.86956877848937 0.09044882608589 0.08981339888590 18.998 > 3 11 F 0.36956877848937 0.59044882608589 0.08981339888590 18.998 > 3 12 F 0.86956877848937 0.59044882608589 0.08981339888590 18.998 > 3 13 F 0.40955117391411 0.11956877848937 0.33981339888590 18.998 > 4 14 F 0.90955117391411 0.11956877848937 0.33981339888590 18.998 > 4 15 F 0.40955117391411 0.61956877848937 0.33981339888590 18.998 > 4 16 F 0.90955117391411 0.61956877848937 0.33981339888590 18.998 > 4 17 F 0.34044882608589 0.38043122151063 0.41018660111410 18.998 > 5 18 F 0.84044882608589 0.38043122151063 0.41018660111410 18.998 > 5 19 F 0.34044882608589 0.88043122151063 0.41018660111410 18.998 > 5 20 F 0.84044882608589 0.88043122151063 0.41018660111410 18.998 > 5 21 F 0.13043122151063 0.15955117391411 0.16018660111410 18.998 > 6 22 F 0.63043122151063 0.15955117391411 0.16018660111410 18.998 > 6 23 F 0.13043122151063 0.65955117391411 0.16018660111410 18.998 > 6 24 F 0.63043122151063 0.65955117391411 0.16018660111410 18.998 > 6 25 F 0.36956877848937 0.34044882608589 0.16018660111410 18.998 > 7 26 F 0.86956877848937 0.34044882608589 0.16018660111410 18.998 > 7 27 F 0.36956877848937 0.84044882608589 0.16018660111410 18.998 > 7 28 F 0.86956877848937 0.84044882608589 0.16018660111410 18.998 > 7 29 F 0.15955117391411 0.11956877848937 0.41018660111410 18.998 > 8 30 F 0.65955117391411 0.11956877848937 0.41018660111410 18.998 > 8 31 F 0.15955117391411 0.61956877848937 0.41018660111410 18.998 > 8 32 F 0.65955117391411 0.61956877848937 0.41018660111410 18.998 > 8 33 F 0.34044882608589 0.13043122151063 0.83981339888590 18.998 > 1 34 F 0.84044882608589 0.13043122151063 0.83981339888590 18.998 > 1 35 F 0.34044882608589 0.63043122151063 0.83981339888590 18.998 > 1 36 F 0.84044882608589 0.63043122151063 0.83981339888590 18.998 > 1 37 F 0.38043122151063 0.15955117391411 0.58981339888590 18.998 > 2 38 F 0.88043122151063 0.15955117391411 0.58981339888590 18.998 > 2 39 F 0.38043122151063 0.65955117391411 0.58981339888590 18.998 > 2 40 F 0.88043122151063 0.65955117391411 0.58981339888590 18.998 > 2 41 F 0.11956877848937 0.34044882608589 0.58981339888590 18.998 > 3 42 F 0.61956877848937 0.34044882608589 0.58981339888590 18.998 > 3 43 F 0.11956877848937 0.84044882608589 0.58981339888590 18.998 > 3 44 F 0.61956877848937 0.84044882608589 0.58981339888590 18.998 > 3 45 F 0.15955117391411 0.36956877848937 0.83981339888590 18.998 > 4 46 F 0.65955117391411 0.36956877848937 0.83981339888590 18.998 > 4 47 F 0.15955117391411 0.86956877848937 0.83981339888590 18.998 > 4 48 F 0.65955117391411 0.86956877848937 0.83981339888590 18.998 > 4 49 F 0.09044882608589 0.13043122151063 0.91018660111410 18.998 > 5 50 F 0.59044882608589 0.13043122151063 0.91018660111410 18.998 > 5 51 F 0.09044882608589 0.63043122151063 0.91018660111410 18.998 > 5 52 F 0.59044882608589 0.63043122151063 0.91018660111410 18.998 > 5 53 F 0.38043122151063 0.40955117391411 0.66018660111410 18.998 > 6 54 F 0.88043122151063 0.40955117391411 0.66018660111410 18.998 > 6 55 F 0.38043122151063 0.90955117391411 0.66018660111410 18.998 > 6 56 F 0.88043122151063 0.90955117391411 0.66018660111410 18.998 > 6 57 F 0.11956877848937 0.09044882608589 0.66018660111410 18.998 > 7 58 F 0.61956877848937 0.09044882608589 0.66018660111410 18.998 > 7 59 F 0.11956877848937 0.59044882608589 0.66018660111410 18.998 > 7 60 F 0.61956877848937 0.59044882608589 0.66018660111410 18.998 > 7 61 F 0.40955117391411 0.36956877848937 0.91018660111410 18.998 > 8 62 F 0.90955117391411 0.36956877848937 0.91018660111410 18.998 > 8 63 F 0.40955117391411 0.86956877848937 0.91018660111410 18.998 > 8 64 F 0.90955117391411 0.86956877848937 0.91018660111410 18.998 > 8 *65 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 9 66 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 9 67 Ca 0.25000000000000 0.50000000000000 0.25000000000000 40.078 > 9 68 Ca 0.75000000000000 0.50000000000000 0.25000000000000 40.078 > 9 69 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 10 70 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 10 71 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 10 72 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 10 73 Ca 0.00000000000000 0.25000000000000 0.75000000000000 40.078 > 9 74 Ca 0.50000000000000 0.25000000000000 0.75000000000000 40.078 > 9 75 Ca 0.00000000000000 0.75000000000000 0.75000000000000 40.078 > 9 76 Ca 0.50000000000000 0.75000000000000 0.75000000000000 40.078 > 9 77 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 10 78 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 10 79 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 10 80 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 10 *81 Zn 0.00000000000000 0.25000000000000 0.25000000000000 65.380 > 11 82 Zn 0.50000000000000 0.25000000000000 0.25000000000000 65.380 > 11 83 Zn 0.00000000000000 0.75000000000000 0.25000000000000 65.380 > 11 84 Zn 0.50000000000000 0.75000000000000 0.25000000000000 65.380 > 11 85 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 12 86 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 12 87 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 12 88 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 12 89 Zn 0.25000000000000 0.00000000000000 0.75000000000000 65.380 > 11 90 Zn 0.75000000000000 0.00000000000000 0.75000000000000 65.380 > 11 91 Zn 0.25000000000000 0.50000000000000 0.75000000000000 65.380 > 11 92 Zn 0.75000000000000 0.50000000000000 0.75000000000000 65.380 > 11 93 Zn 0.25000000000000 0.25000000000000 0.50000000000000 65.380 > 12 94 Zn 0.75000000000000 0.25000000000000 0.50000000000000 65.380 > 12 95 Zn 0.25000000000000 0.75000000000000 0.50000000000000 65.380 > 12 96 Zn 0.75000000000000 0.75000000000000 0.50000000000000 65.380 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4196045 -0.0000001 0.0000000 0.0000001 2.4196045 0.0000000 0.0000000 0.0000000 2.3917436 -------------------------- Born effective charges -------------------------- 1 F -1.1136325 -0.1994314 0.0173327 -0.1960666 -1.1857620 -0.1701378 0.0099329 -0.1996019 -1.1264451 2 F -1.1857620 0.1960666 -0.1701378 0.1994314 -1.1136325 -0.0173327 -0.1996019 -0.0099329 -1.1264451 3 F -1.1857620 0.1960666 0.1701378 0.1994314 -1.1136325 0.0173327 0.1996019 0.0099329 -1.1264451 4 F -1.1136325 -0.1994314 -0.0173327 -0.1960666 -1.1857620 0.1701378 -0.0099329 0.1996019 -1.1264451 5 F -1.1136325 -0.1994314 -0.0173327 -0.1960666 -1.1857620 0.1701378 -0.0099329 0.1996019 -1.1264451 6 F -1.1857620 0.1960666 0.1701378 0.1994314 -1.1136325 0.0173327 0.1996019 0.0099329 -1.1264451 7 F -1.1857620 0.1960666 -0.1701378 0.1994314 -1.1136325 -0.0173327 -0.1996019 -0.0099329 -1.1264451 8 F -1.1136325 -0.1994314 0.0173327 -0.1960666 -1.1857620 -0.1701378 0.0099329 -0.1996019 -1.1264451 9 Ca 2.4113643 0.0245301 0.0000000 -0.0245301 2.4113643 0.0000000 0.0000000 0.0000000 2.4499121 10 Ca 2.4113643 0.0245301 0.0000000 -0.0245301 2.4113643 0.0000000 0.0000000 0.0000000 2.4499121 11 Zn 2.1874246 -0.0178006 0.0000000 0.0178006 2.1874246 0.0000000 0.0000000 0.0000000 2.0558684 12 Zn 2.1874246 -0.0178006 0.0000000 0.0178006 2.1874246 0.0000000 0.0000000 0.0000000 2.0558684 ---------------------------------------------------------------------------- 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: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.556 Solver_block: 200 / 240 - Time: 0.560 Solver_block: 240 / 240 - Time: 0.280 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.410 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), 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 2026-01-07 20:40:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:40:44]------------------------- 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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.624769710000000 2.624769710000000 5.482265275000000 b 2.624769710000000 -2.624769710000000 5.482265275000000 c 2.624769710000000 2.624769710000000 -5.482265275000000 Atomic positions (fractional): 1 F 0.10067584190717 0.52071105105769 0.94176009519306 18.998 2 F 0.90891574671411 0.35067584190717 0.07996479084948 18.998 3 F 0.27071105105769 0.82895095586463 0.92003520915052 18.998 4 F 0.57895095586463 0.15891574671411 0.05823990480694 18.998 5 F 0.17104904413537 0.09108425328589 0.44176009519306 18.998 6 F 0.47928894894231 0.42104904413537 0.57996479084948 18.998 7 F 0.84108425328589 0.89932415809283 0.42003520915052 18.998 8 F 0.64932415809283 0.72928894894231 0.55823990480694 18.998 9 Ca 0.25000000000000 0.75000000000000 0.50000000000000 40.078 10 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 11 Zn 0.75000000000000 0.25000000000000 0.50000000000000 65.380 12 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.499078839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.499078839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.964530549999999 Atomic positions (fractional): 1 F 0.09044882608589 0.38043122151063 0.33981339888590 18.998 > 1 2 F 0.59044882608589 0.38043122151063 0.33981339888590 18.998 > 1 3 F 0.09044882608589 0.88043122151063 0.33981339888590 18.998 > 1 4 F 0.59044882608589 0.88043122151063 0.33981339888590 18.998 > 1 5 F 0.13043122151063 0.40955117391411 0.08981339888590 18.998 > 5 6 F 0.63043122151063 0.40955117391411 0.08981339888590 18.998 > 5 7 F 0.13043122151063 0.90955117391411 0.08981339888590 18.998 > 5 8 F 0.63043122151063 0.90955117391411 0.08981339888590 18.998 > 5 9 F 0.36956877848937 0.09044882608589 0.08981339888590 18.998 > 9 10 F 0.86956877848937 0.09044882608589 0.08981339888590 18.998 > 9 11 F 0.36956877848937 0.59044882608589 0.08981339888590 18.998 > 9 12 F 0.86956877848937 0.59044882608589 0.08981339888590 18.998 > 9 13 F 0.40955117391411 0.11956877848937 0.33981339888590 18.998 > 13 14 F 0.90955117391411 0.11956877848937 0.33981339888590 18.998 > 13 15 F 0.40955117391411 0.61956877848937 0.33981339888590 18.998 > 13 16 F 0.90955117391411 0.61956877848937 0.33981339888590 18.998 > 13 17 F 0.34044882608589 0.38043122151063 0.41018660111410 18.998 > 17 18 F 0.84044882608589 0.38043122151063 0.41018660111410 18.998 > 17 19 F 0.34044882608589 0.88043122151063 0.41018660111410 18.998 > 17 20 F 0.84044882608589 0.88043122151063 0.41018660111410 18.998 > 17 21 F 0.13043122151063 0.15955117391411 0.16018660111410 18.998 > 21 22 F 0.63043122151063 0.15955117391411 0.16018660111410 18.998 > 21 23 F 0.13043122151063 0.65955117391411 0.16018660111410 18.998 > 21 24 F 0.63043122151063 0.65955117391411 0.16018660111410 18.998 > 21 25 F 0.36956877848937 0.34044882608589 0.16018660111410 18.998 > 25 26 F 0.86956877848937 0.34044882608589 0.16018660111410 18.998 > 25 27 F 0.36956877848937 0.84044882608589 0.16018660111410 18.998 > 25 28 F 0.86956877848937 0.84044882608589 0.16018660111410 18.998 > 25 29 F 0.15955117391411 0.11956877848937 0.41018660111410 18.998 > 29 30 F 0.65955117391411 0.11956877848937 0.41018660111410 18.998 > 29 31 F 0.15955117391411 0.61956877848937 0.41018660111410 18.998 > 29 32 F 0.65955117391411 0.61956877848937 0.41018660111410 18.998 > 29 33 F 0.34044882608589 0.13043122151063 0.83981339888590 18.998 > 1 34 F 0.84044882608589 0.13043122151063 0.83981339888590 18.998 > 1 35 F 0.34044882608589 0.63043122151063 0.83981339888590 18.998 > 1 36 F 0.84044882608589 0.63043122151063 0.83981339888590 18.998 > 1 37 F 0.38043122151063 0.15955117391411 0.58981339888590 18.998 > 5 38 F 0.88043122151063 0.15955117391411 0.58981339888590 18.998 > 5 39 F 0.38043122151063 0.65955117391411 0.58981339888590 18.998 > 5 40 F 0.88043122151063 0.65955117391411 0.58981339888590 18.998 > 5 41 F 0.11956877848937 0.34044882608589 0.58981339888590 18.998 > 9 42 F 0.61956877848937 0.34044882608589 0.58981339888590 18.998 > 9 43 F 0.11956877848937 0.84044882608589 0.58981339888590 18.998 > 9 44 F 0.61956877848937 0.84044882608589 0.58981339888590 18.998 > 9 45 F 0.15955117391411 0.36956877848937 0.83981339888590 18.998 > 13 46 F 0.65955117391411 0.36956877848937 0.83981339888590 18.998 > 13 47 F 0.15955117391411 0.86956877848937 0.83981339888590 18.998 > 13 48 F 0.65955117391411 0.86956877848937 0.83981339888590 18.998 > 13 49 F 0.09044882608589 0.13043122151063 0.91018660111410 18.998 > 17 50 F 0.59044882608589 0.13043122151063 0.91018660111410 18.998 > 17 51 F 0.09044882608589 0.63043122151063 0.91018660111410 18.998 > 17 52 F 0.59044882608589 0.63043122151063 0.91018660111410 18.998 > 17 53 F 0.38043122151063 0.40955117391411 0.66018660111410 18.998 > 21 54 F 0.88043122151063 0.40955117391411 0.66018660111410 18.998 > 21 55 F 0.38043122151063 0.90955117391411 0.66018660111410 18.998 > 21 56 F 0.88043122151063 0.90955117391411 0.66018660111410 18.998 > 21 57 F 0.11956877848937 0.09044882608589 0.66018660111410 18.998 > 25 58 F 0.61956877848937 0.09044882608589 0.66018660111410 18.998 > 25 59 F 0.11956877848937 0.59044882608589 0.66018660111410 18.998 > 25 60 F 0.61956877848937 0.59044882608589 0.66018660111410 18.998 > 25 61 F 0.40955117391411 0.36956877848937 0.91018660111410 18.998 > 29 62 F 0.90955117391411 0.36956877848937 0.91018660111410 18.998 > 29 63 F 0.40955117391411 0.86956877848937 0.91018660111410 18.998 > 29 64 F 0.90955117391411 0.86956877848937 0.91018660111410 18.998 > 29 65 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 65 66 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 65 67 Ca 0.25000000000000 0.50000000000000 0.25000000000000 40.078 > 65 68 Ca 0.75000000000000 0.50000000000000 0.25000000000000 40.078 > 65 69 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 69 70 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 69 71 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 69 72 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 69 73 Ca 0.00000000000000 0.25000000000000 0.75000000000000 40.078 > 65 74 Ca 0.50000000000000 0.25000000000000 0.75000000000000 40.078 > 65 75 Ca 0.00000000000000 0.75000000000000 0.75000000000000 40.078 > 65 76 Ca 0.50000000000000 0.75000000000000 0.75000000000000 40.078 > 65 77 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 69 78 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 69 79 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 69 80 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 69 81 Zn 0.00000000000000 0.25000000000000 0.25000000000000 65.380 > 81 82 Zn 0.50000000000000 0.25000000000000 0.25000000000000 65.380 > 81 83 Zn 0.00000000000000 0.75000000000000 0.25000000000000 65.380 > 81 84 Zn 0.50000000000000 0.75000000000000 0.25000000000000 65.380 > 81 85 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 85 86 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 85 87 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 85 88 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 85 89 Zn 0.25000000000000 0.00000000000000 0.75000000000000 65.380 > 81 90 Zn 0.75000000000000 0.00000000000000 0.75000000000000 65.380 > 81 91 Zn 0.25000000000000 0.50000000000000 0.75000000000000 65.380 > 81 92 Zn 0.75000000000000 0.50000000000000 0.75000000000000 65.380 > 81 93 Zn 0.25000000000000 0.25000000000000 0.50000000000000 65.380 > 85 94 Zn 0.75000000000000 0.25000000000000 0.50000000000000 65.380 > 85 95 Zn 0.25000000000000 0.75000000000000 0.50000000000000 65.380 > 85 96 Zn 0.75000000000000 0.75000000000000 0.50000000000000 65.380 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4196045 -0.0000001 0.0000000 0.0000001 2.4196045 0.0000000 0.0000000 0.0000000 2.3917436 -------------------------- Born effective charges -------------------------- 1 F -1.1136325 -0.1994314 0.0173327 -0.1960666 -1.1857620 -0.1701378 0.0099329 -0.1996019 -1.1264451 2 F -1.1857620 0.1960666 -0.1701378 0.1994314 -1.1136325 -0.0173327 -0.1996019 -0.0099329 -1.1264451 3 F -1.1857620 0.1960666 0.1701378 0.1994314 -1.1136325 0.0173327 0.1996019 0.0099329 -1.1264451 4 F -1.1136325 -0.1994314 -0.0173327 -0.1960666 -1.1857620 0.1701378 -0.0099329 0.1996019 -1.1264451 5 F -1.1136325 -0.1994314 -0.0173327 -0.1960666 -1.1857620 0.1701378 -0.0099329 0.1996019 -1.1264451 6 F -1.1857620 0.1960666 0.1701378 0.1994314 -1.1136325 0.0173327 0.1996019 0.0099329 -1.1264451 7 F -1.1857620 0.1960666 -0.1701378 0.1994314 -1.1136325 -0.0173327 -0.1996019 -0.0099329 -1.1264451 8 F -1.1136325 -0.1994314 0.0173327 -0.1960666 -1.1857620 -0.1701378 0.0099329 -0.1996019 -1.1264451 9 Ca 2.4113643 0.0245301 0.0000000 -0.0245301 2.4113643 0.0000000 0.0000000 0.0000000 2.4499121 10 Ca 2.4113643 0.0245301 0.0000000 -0.0245301 2.4113643 0.0000000 0.0000000 0.0000000 2.4499121 11 Zn 2.1874246 -0.0178006 0.0000000 0.0178006 2.1874246 0.0000000 0.0000000 0.0000000 2.0558684 12 Zn 2.1874246 -0.0178006 0.0000000 0.0178006 2.1874246 0.0000000 0.0000000 0.0000000 2.0558684 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, 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[ 81, 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: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:40:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:40:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.624769710000000 2.624769710000000 5.482265275000000 b 2.624769710000000 -2.624769710000000 5.482265275000000 c 2.624769710000000 2.624769710000000 -5.482265275000000 Atomic positions (fractional): 1 F 0.10067584190717 0.52071105105769 0.94176009519306 18.998 2 F 0.90891574671411 0.35067584190717 0.07996479084948 18.998 3 F 0.27071105105769 0.82895095586463 0.92003520915052 18.998 4 F 0.57895095586463 0.15891574671411 0.05823990480694 18.998 5 F 0.17104904413537 0.09108425328589 0.44176009519306 18.998 6 F 0.47928894894231 0.42104904413537 0.57996479084948 18.998 7 F 0.84108425328589 0.89932415809283 0.42003520915052 18.998 8 F 0.64932415809283 0.72928894894231 0.55823990480694 18.998 9 Ca 0.25000000000000 0.75000000000000 0.50000000000000 40.078 10 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 11 Zn 0.75000000000000 0.25000000000000 0.50000000000000 65.380 12 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.499078839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.499078839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.964530549999999 Atomic positions (fractional): 1 F 0.09044882608589 0.38043122151063 0.33981339888590 18.998 > 1 2 F 0.59044882608589 0.38043122151063 0.33981339888590 18.998 > 1 3 F 0.09044882608589 0.88043122151063 0.33981339888590 18.998 > 1 4 F 0.59044882608589 0.88043122151063 0.33981339888590 18.998 > 1 5 F 0.13043122151063 0.40955117391411 0.08981339888590 18.998 > 5 6 F 0.63043122151063 0.40955117391411 0.08981339888590 18.998 > 5 7 F 0.13043122151063 0.90955117391411 0.08981339888590 18.998 > 5 8 F 0.63043122151063 0.90955117391411 0.08981339888590 18.998 > 5 9 F 0.36956877848937 0.09044882608589 0.08981339888590 18.998 > 9 10 F 0.86956877848937 0.09044882608589 0.08981339888590 18.998 > 9 11 F 0.36956877848937 0.59044882608589 0.08981339888590 18.998 > 9 12 F 0.86956877848937 0.59044882608589 0.08981339888590 18.998 > 9 13 F 0.40955117391411 0.11956877848937 0.33981339888590 18.998 > 13 14 F 0.90955117391411 0.11956877848937 0.33981339888590 18.998 > 13 15 F 0.40955117391411 0.61956877848937 0.33981339888590 18.998 > 13 16 F 0.90955117391411 0.61956877848937 0.33981339888590 18.998 > 13 17 F 0.34044882608589 0.38043122151063 0.41018660111410 18.998 > 17 18 F 0.84044882608589 0.38043122151063 0.41018660111410 18.998 > 17 19 F 0.34044882608589 0.88043122151063 0.41018660111410 18.998 > 17 20 F 0.84044882608589 0.88043122151063 0.41018660111410 18.998 > 17 21 F 0.13043122151063 0.15955117391411 0.16018660111410 18.998 > 21 22 F 0.63043122151063 0.15955117391411 0.16018660111410 18.998 > 21 23 F 0.13043122151063 0.65955117391411 0.16018660111410 18.998 > 21 24 F 0.63043122151063 0.65955117391411 0.16018660111410 18.998 > 21 25 F 0.36956877848937 0.34044882608589 0.16018660111410 18.998 > 25 26 F 0.86956877848937 0.34044882608589 0.16018660111410 18.998 > 25 27 F 0.36956877848937 0.84044882608589 0.16018660111410 18.998 > 25 28 F 0.86956877848937 0.84044882608589 0.16018660111410 18.998 > 25 29 F 0.15955117391411 0.11956877848937 0.41018660111410 18.998 > 29 30 F 0.65955117391411 0.11956877848937 0.41018660111410 18.998 > 29 31 F 0.15955117391411 0.61956877848937 0.41018660111410 18.998 > 29 32 F 0.65955117391411 0.61956877848937 0.41018660111410 18.998 > 29 33 F 0.34044882608589 0.13043122151063 0.83981339888590 18.998 > 1 34 F 0.84044882608589 0.13043122151063 0.83981339888590 18.998 > 1 35 F 0.34044882608589 0.63043122151063 0.83981339888590 18.998 > 1 36 F 0.84044882608589 0.63043122151063 0.83981339888590 18.998 > 1 37 F 0.38043122151063 0.15955117391411 0.58981339888590 18.998 > 5 38 F 0.88043122151063 0.15955117391411 0.58981339888590 18.998 > 5 39 F 0.38043122151063 0.65955117391411 0.58981339888590 18.998 > 5 40 F 0.88043122151063 0.65955117391411 0.58981339888590 18.998 > 5 41 F 0.11956877848937 0.34044882608589 0.58981339888590 18.998 > 9 42 F 0.61956877848937 0.34044882608589 0.58981339888590 18.998 > 9 43 F 0.11956877848937 0.84044882608589 0.58981339888590 18.998 > 9 44 F 0.61956877848937 0.84044882608589 0.58981339888590 18.998 > 9 45 F 0.15955117391411 0.36956877848937 0.83981339888590 18.998 > 13 46 F 0.65955117391411 0.36956877848937 0.83981339888590 18.998 > 13 47 F 0.15955117391411 0.86956877848937 0.83981339888590 18.998 > 13 48 F 0.65955117391411 0.86956877848937 0.83981339888590 18.998 > 13 49 F 0.09044882608589 0.13043122151063 0.91018660111410 18.998 > 17 50 F 0.59044882608589 0.13043122151063 0.91018660111410 18.998 > 17 51 F 0.09044882608589 0.63043122151063 0.91018660111410 18.998 > 17 52 F 0.59044882608589 0.63043122151063 0.91018660111410 18.998 > 17 53 F 0.38043122151063 0.40955117391411 0.66018660111410 18.998 > 21 54 F 0.88043122151063 0.40955117391411 0.66018660111410 18.998 > 21 55 F 0.38043122151063 0.90955117391411 0.66018660111410 18.998 > 21 56 F 0.88043122151063 0.90955117391411 0.66018660111410 18.998 > 21 57 F 0.11956877848937 0.09044882608589 0.66018660111410 18.998 > 25 58 F 0.61956877848937 0.09044882608589 0.66018660111410 18.998 > 25 59 F 0.11956877848937 0.59044882608589 0.66018660111410 18.998 > 25 60 F 0.61956877848937 0.59044882608589 0.66018660111410 18.998 > 25 61 F 0.40955117391411 0.36956877848937 0.91018660111410 18.998 > 29 62 F 0.90955117391411 0.36956877848937 0.91018660111410 18.998 > 29 63 F 0.40955117391411 0.86956877848937 0.91018660111410 18.998 > 29 64 F 0.90955117391411 0.86956877848937 0.91018660111410 18.998 > 29 65 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 65 66 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 65 67 Ca 0.25000000000000 0.50000000000000 0.25000000000000 40.078 > 65 68 Ca 0.75000000000000 0.50000000000000 0.25000000000000 40.078 > 65 69 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 69 70 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 69 71 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 69 72 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 69 73 Ca 0.00000000000000 0.25000000000000 0.75000000000000 40.078 > 65 74 Ca 0.50000000000000 0.25000000000000 0.75000000000000 40.078 > 65 75 Ca 0.00000000000000 0.75000000000000 0.75000000000000 40.078 > 65 76 Ca 0.50000000000000 0.75000000000000 0.75000000000000 40.078 > 65 77 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 69 78 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 69 79 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 69 80 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 69 81 Zn 0.00000000000000 0.25000000000000 0.25000000000000 65.380 > 81 82 Zn 0.50000000000000 0.25000000000000 0.25000000000000 65.380 > 81 83 Zn 0.00000000000000 0.75000000000000 0.25000000000000 65.380 > 81 84 Zn 0.50000000000000 0.75000000000000 0.25000000000000 65.380 > 81 85 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 85 86 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 85 87 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 85 88 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 85 89 Zn 0.25000000000000 0.00000000000000 0.75000000000000 65.380 > 81 90 Zn 0.75000000000000 0.00000000000000 0.75000000000000 65.380 > 81 91 Zn 0.25000000000000 0.50000000000000 0.75000000000000 65.380 > 81 92 Zn 0.75000000000000 0.50000000000000 0.75000000000000 65.380 > 81 93 Zn 0.25000000000000 0.25000000000000 0.50000000000000 65.380 > 85 94 Zn 0.75000000000000 0.25000000000000 0.50000000000000 65.380 > 85 95 Zn 0.25000000000000 0.75000000000000 0.50000000000000 65.380 > 85 96 Zn 0.75000000000000 0.75000000000000 0.50000000000000 65.380 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4196045 -0.0000001 0.0000000 0.0000001 2.4196045 0.0000000 0.0000000 0.0000000 2.3917436 -------------------------- Born effective charges -------------------------- 1 F -1.1136325 -0.1994314 0.0173327 -0.1960666 -1.1857620 -0.1701378 0.0099329 -0.1996019 -1.1264451 2 F -1.1857620 0.1960666 -0.1701378 0.1994314 -1.1136325 -0.0173327 -0.1996019 -0.0099329 -1.1264451 3 F -1.1857620 0.1960666 0.1701378 0.1994314 -1.1136325 0.0173327 0.1996019 0.0099329 -1.1264451 4 F -1.1136325 -0.1994314 -0.0173327 -0.1960666 -1.1857620 0.1701378 -0.0099329 0.1996019 -1.1264451 5 F -1.1136325 -0.1994314 -0.0173327 -0.1960666 -1.1857620 0.1701378 -0.0099329 0.1996019 -1.1264451 6 F -1.1857620 0.1960666 0.1701378 0.1994314 -1.1136325 0.0173327 0.1996019 0.0099329 -1.1264451 7 F -1.1857620 0.1960666 -0.1701378 0.1994314 -1.1136325 -0.0173327 -0.1996019 -0.0099329 -1.1264451 8 F -1.1136325 -0.1994314 0.0173327 -0.1960666 -1.1857620 -0.1701378 0.0099329 -0.1996019 -1.1264451 9 Ca 2.4113643 0.0245301 0.0000000 -0.0245301 2.4113643 0.0000000 0.0000000 0.0000000 2.4499121 10 Ca 2.4113643 0.0245301 0.0000000 -0.0245301 2.4113643 0.0000000 0.0000000 0.0000000 2.4499121 11 Zn 2.1874246 -0.0178006 0.0000000 0.0178006 2.1874246 0.0000000 0.0000000 0.0000000 2.0558684 12 Zn 2.1874246 -0.0178006 0.0000000 0.0178006 2.1874246 0.0000000 0.0000000 0.0000000 2.0558684 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) 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 ... Generalized regular grid: [ 5 10 20 ] Grid generation matrix: [ 0 10 10 ] [ 10 0 10 ] [ 5 5 0 ] 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: 0.78, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/156) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 -0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 -0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 -0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 -0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 -0.000 -0.000) 0.000 5.885 ( 0.000 -0.000 0.000) 0.000 5.941 ( 0.000 0.000 0.000) 0.000 6.072 ( -0.000 -0.000 0.000) 0.000 6.518 ( -0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 -0.000) 0.000 7.153 ( 0.000 0.000 0.000) 0.000 7.153 ( 0.000 -0.000 0.000) 0.000 7.972 ( 0.000 0.000 -0.000) 0.000 8.174 ( 0.000 -0.000 0.000) 0.000 8.174 ( -0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 -0.000) 0.000 8.827 ( 0.000 -0.000 0.000) 0.000 8.843 ( 0.000 -0.000 0.000) 0.000 9.402 ( 0.000 -0.000 -0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 11.927 ( 0.000 0.000 -0.000) 0.000 12.364 ( 0.000 0.000 0.000) 0.000 12.364 ( 0.000 -0.000 0.000) 0.000 12.777 ( 0.000 -0.000 -0.000) 0.000 13.607 ( 0.000 0.000 -0.000) 0.000 13.607 ( 0.000 0.000 0.000) 0.000 13.701 ( 0.000 -0.000 0.000) 0.000 14.113 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/156) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 5.292 -24.521 8.711) 26.555 1.168 ( 19.387 -0.763 20.546) 28.259 2.155 ( 38.044 6.849 7.184) 39.317 2.292 ( -1.048 2.037 8.104) 8.421 2.592 ( 15.928 -6.167 1.778) 17.172 2.779 ( 17.578 3.976 -5.265) 18.776 3.447 ( 2.915 2.494 -17.355) 17.774 3.633 ( -2.815 -4.568 -2.203) 5.800 3.873 ( 3.596 1.901 0.280) 4.077 4.274 ( 8.570 1.345 10.723) 13.793 4.943 ( -10.258 2.840 -7.740) 13.161 5.311 ( -11.115 -1.072 -4.209) 11.933 5.422 ( -7.985 -3.611 4.306) 9.765 5.720 ( 6.496 3.162 -7.547) 10.448 5.930 ( -8.537 0.100 -1.836) 8.733 6.041 ( 2.673 1.583 3.047) 4.352 6.448 ( 1.794 -11.651 -4.414) 12.587 6.825 ( 10.218 13.778 -5.184) 17.919 7.252 ( -0.444 -3.738 13.156) 13.684 7.452 ( 7.411 -2.393 1.780) 7.988 7.823 ( -3.714 2.207 -3.615) 5.634 8.224 ( 1.413 0.492 -6.305) 6.480 8.686 ( -7.252 -1.161 2.294) 7.694 8.688 ( 2.398 -0.452 -0.396) 2.472 8.841 ( 1.020 2.293 -2.909) 3.842 9.222 ( -2.844 -0.300 -5.147) 5.888 10.069 ( -18.117 -1.118 25.041) 30.928 10.502 ( -5.767 0.005 4.701) 7.440 11.978 ( 0.507 1.631 -2.132) 2.732 12.125 ( -7.560 -11.900 2.181) 14.266 13.000 ( 5.300 10.478 1.812) 11.881 13.210 ( -10.786 2.340 2.004) 11.217 13.628 ( 0.896 -3.989 0.443) 4.112 14.033 ( 7.487 1.054 0.630) 7.587 14.157 ( 1.995 -0.001 1.361) 2.415 15.104 ( 2.924 -0.738 -17.987) 18.238 ======================= Grid point 2 (3/156) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 1.205 -13.119 3.618) 13.662 1.855 ( 2.425 -0.521 -4.470) 5.112 2.388 ( 6.384 2.392 24.353) 25.289 2.896 ( 2.411 -2.865 -0.930) 3.858 3.174 ( 5.832 -4.537 -17.932) 19.395 3.321 ( -2.367 0.102 2.669) 3.569 3.585 ( 15.231 8.208 0.265) 17.304 3.744 ( 11.621 3.575 -1.216) 12.219 4.080 ( 4.915 0.179 -2.787) 5.653 4.337 ( -9.139 -0.520 7.618) 11.909 4.708 ( 3.629 1.852 -0.891) 4.170 4.978 ( -2.918 0.419 0.348) 2.968 5.383 ( -1.971 -13.938 0.564) 14.088 5.560 ( -3.143 7.038 -3.865) 8.623 5.692 ( 1.028 -2.049 -0.998) 2.500 6.210 ( 0.853 3.332 -5.406) 6.408 6.649 ( 12.325 1.642 1.956) 12.587 7.057 ( 2.709 10.607 3.481) 11.487 7.322 ( -8.283 -14.762 4.956) 17.638 7.474 ( -6.667 3.314 -4.697) 8.803 7.739 ( 3.653 1.363 4.659) 6.075 8.010 ( -0.652 -2.898 -13.434) 13.759 8.480 ( -4.973 2.051 4.458) 6.986 8.753 ( 1.395 0.669 -2.579) 3.008 8.872 ( 1.471 0.334 2.275) 2.730 9.150 ( -0.587 -0.090 0.431) 0.734 9.830 ( -7.017 -0.296 6.249) 9.401 10.338 ( -4.724 -0.233 2.041) 5.151 11.752 ( -4.537 -3.074 -1.309) 5.634 12.173 ( 3.534 -2.935 0.091) 4.595 12.777 ( -7.214 3.480 -0.142) 8.010 13.279 ( 2.294 4.945 2.398) 5.955 13.678 ( 0.620 -3.334 0.874) 3.502 14.261 ( 4.290 1.019 0.503) 4.438 14.292 ( 1.475 -0.163 3.444) 3.750 14.834 ( -2.425 -0.776 -9.153) 9.500 ======================= Grid point 5 (4/156) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 16.819 17.134 0.000) 24.009 0.748 ( 0.295 38.014 0.000) 38.016 1.311 ( 38.663 18.874 -0.000) 43.024 2.332 ( -3.722 -4.046 -0.000) 5.498 2.366 ( 1.564 10.670 0.000) 10.784 2.593 ( 15.150 6.970 -0.000) 16.677 3.695 ( -6.910 2.677 0.000) 7.411 3.749 ( 4.732 -3.868 -0.000) 6.112 3.791 ( 0.105 -1.948 -0.000) 1.951 4.105 ( 8.435 7.942 -0.000) 11.586 5.127 ( -4.221 -6.512 -0.000) 7.760 5.459 ( -4.577 3.333 0.000) 5.661 5.563 ( -11.548 -13.461 -0.000) 17.736 5.566 ( -0.256 -6.132 -0.000) 6.138 5.967 ( 2.359 0.173 -0.000) 2.365 6.101 ( 6.493 7.749 0.000) 10.110 6.462 ( -6.639 0.381 0.000) 6.650 6.838 ( 11.623 10.109 -0.000) 15.404 6.980 ( -6.568 -11.148 -0.000) 12.939 7.433 ( 10.753 13.977 0.000) 17.634 8.041 ( 6.377 0.907 -0.000) 6.441 8.201 ( 1.418 1.161 -0.000) 1.832 8.701 ( -2.737 -4.552 -0.000) 5.311 8.758 ( -5.156 -1.403 0.000) 5.344 8.925 ( 2.416 0.481 -0.000) 2.464 9.287 ( -5.909 -5.207 0.000) 7.875 9.757 ( -5.668 -2.592 0.000) 6.233 10.504 ( -3.387 -3.339 0.000) 4.756 11.965 ( 2.107 1.892 -0.000) 2.832 12.313 ( -12.398 7.567 0.000) 14.525 12.806 ( 11.048 -8.624 -0.000) 14.016 13.332 ( -7.040 -9.917 -0.000) 12.162 13.604 ( -2.191 1.853 0.000) 2.869 13.938 ( 7.004 5.996 -0.000) 9.220 14.126 ( 0.500 0.462 -0.000) 0.681 15.325 ( -3.039 -2.339 0.000) 3.835 ======================= Grid point 6 (5/156) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 0.170 31.882 10.376) 33.528 1.593 ( 18.268 5.987 15.113) 24.454 2.182 ( -6.042 4.787 7.102) 10.482 2.590 ( 18.559 -11.159 2.063) 21.753 3.031 ( 16.234 -5.900 -6.948) 18.618 3.275 ( 16.648 10.697 2.765) 19.981 3.376 ( -0.882 -0.404 4.196) 4.306 3.758 ( 10.565 3.586 -14.256) 18.103 3.909 ( 4.434 -4.250 -1.376) 6.294 4.450 ( -0.325 1.801 4.656) 5.003 4.848 ( -5.832 3.849 -6.575) 9.595 5.049 ( -9.299 -2.882 0.279) 9.739 5.140 ( -9.221 -5.382 8.559) 13.684 5.598 ( 1.728 -15.897 -9.776) 18.742 5.931 ( -6.015 10.875 -1.303) 12.496 6.315 ( 3.718 -4.746 -3.516) 6.979 6.429 ( 14.057 12.716 -2.196) 19.082 6.900 ( -6.104 -18.395 8.272) 21.073 7.237 ( 7.567 9.224 2.320) 12.154 7.755 ( 4.309 16.362 -0.086) 16.921 7.871 ( -6.597 10.730 -4.710) 13.448 8.260 ( -0.129 1.638 -11.411) 11.529 8.545 ( -7.983 3.460 8.574) 12.216 8.660 ( -0.726 -2.271 4.687) 5.258 8.914 ( 3.373 -1.030 -7.183) 8.002 9.125 ( -0.442 -4.609 -0.936) 4.723 9.728 ( -8.179 -6.327 14.970) 18.195 10.337 ( -5.630 -5.450 1.996) 8.086 11.826 ( -10.131 0.335 0.663) 10.158 12.108 ( 5.983 2.413 -2.124) 6.792 13.000 ( -8.961 -0.917 -0.089) 9.008 13.207 ( 5.444 -3.095 0.978) 6.338 13.541 ( -0.705 -4.048 2.275) 4.696 14.184 ( 2.548 0.370 1.738) 3.106 14.199 ( 4.396 1.132 0.992) 4.647 15.048 ( -4.097 -3.251 -10.004) 11.288 ======================= Grid point 7 (6/156) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 5.517 28.753 10.699) 31.171 1.940 ( -2.261 9.735 0.006) 9.994 2.594 ( 8.557 3.280 14.223) 16.920 2.858 ( -1.186 -2.786 4.617) 5.522 3.109 ( -8.168 -0.806 -8.192) 11.596 3.241 ( 4.364 -5.738 0.795) 7.253 3.687 ( -3.907 -10.081 -5.344) 12.060 3.844 ( -4.272 -0.809 -4.610) 6.337 4.081 ( -2.384 -0.481 2.748) 3.670 4.395 ( 6.859 0.776 -6.207) 9.283 4.740 ( -6.596 0.598 3.599) 7.538 4.831 ( 1.787 -1.749 9.323) 9.653 5.226 ( 9.173 -13.341 -4.491) 16.801 5.404 ( -0.162 -9.960 -10.835) 14.718 5.896 ( 1.307 6.864 5.430) 8.850 6.233 ( -5.126 8.228 -3.808) 10.415 6.693 ( -9.408 -16.435 2.909) 19.159 7.054 ( 10.343 10.409 3.685) 15.129 7.254 ( -1.448 1.352 -6.133) 6.445 7.696 ( 3.856 19.496 -3.754) 20.225 7.853 ( -1.235 6.507 8.152) 10.503 7.990 ( -3.958 6.819 -3.059) 8.458 8.452 ( -1.591 1.431 2.819) 3.539 8.658 ( -4.766 -4.084 5.820) 8.559 8.945 ( 2.830 -0.253 -4.490) 5.314 9.164 ( 2.086 0.298 -3.153) 3.792 9.757 ( 2.206 -2.320 2.411) 4.008 10.243 ( 1.706 -6.409 -1.117) 6.725 11.651 ( -0.724 -1.217 4.679) 4.889 12.302 ( 5.423 5.560 -3.654) 8.583 12.712 ( -3.718 0.957 -0.044) 3.840 13.225 ( -1.009 -10.267 -5.025) 11.476 13.653 ( 0.896 -1.682 4.970) 5.323 14.290 ( -0.418 -0.055 1.697) 1.749 14.342 ( 1.406 0.738 0.735) 1.750 14.739 ( -2.745 -3.605 -3.297) 5.604 ======================= Grid point 8 (7/156) ======================= q-point: ( 0.00 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -1.014 34.166 1.075) 34.198 1.816 ( -11.400 7.923 -0.932) 13.914 2.287 ( -2.553 0.067 -15.342) 15.553 2.716 ( -20.336 -11.230 3.224) 23.453 2.878 ( -16.043 -5.553 -7.229) 18.452 3.148 ( -6.077 6.859 15.560) 18.058 3.369 ( -12.624 1.596 -6.684) 14.373 3.575 ( 6.500 0.872 0.052) 6.559 3.953 ( -7.676 -3.866 -1.947) 8.812 4.492 ( 5.196 -1.632 10.058) 11.438 4.624 ( -0.520 1.466 -9.195) 9.326 5.017 ( 6.486 -4.875 1.351) 8.225 5.363 ( -0.474 -11.742 4.604) 12.621 5.600 ( 3.020 2.064 4.915) 6.127 5.879 ( 0.968 12.139 -2.553) 12.443 6.130 ( -0.179 0.293 3.208) 3.226 6.458 ( -3.016 -8.520 4.950) 10.305 6.779 ( -6.923 -0.675 -6.060) 9.226 7.540 ( -4.675 1.203 -10.727) 11.763 7.634 ( 2.863 6.838 4.260) 8.550 7.858 ( -1.896 16.480 5.097) 17.354 8.090 ( 0.990 4.562 9.491) 10.577 8.586 ( 2.030 -0.269 6.062) 6.399 8.635 ( 3.734 -3.345 -1.063) 5.125 8.878 ( -0.569 0.822 -6.390) 6.468 9.134 ( -0.443 -2.906 -1.154) 3.159 10.008 ( 14.669 -4.759 -11.434) 19.198 10.402 ( 7.421 -6.453 -4.402) 10.774 11.859 ( 2.496 0.591 7.326) 7.762 12.337 ( 3.090 11.519 -3.234) 12.357 12.792 ( 2.694 -8.839 0.327) 9.246 13.079 ( 3.292 -8.748 -8.041) 12.330 13.695 ( -1.639 -0.823 0.810) 2.005 14.176 ( -4.651 2.239 -1.115) 5.281 14.244 ( -2.642 -0.693 -3.164) 4.180 14.851 ( -0.268 -1.088 13.220) 13.267 ======================= Grid point 9 (8/156) ======================= q-point: ( 0.00 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -29.417 1.116 -12.694) 32.059 0.951 ( -13.811 17.815 -17.188) 28.347 1.502 ( -15.280 27.089 -20.495) 37.247 2.320 ( -5.163 5.001 4.078) 8.265 2.406 ( -1.228 -4.558 -5.427) 7.193 2.587 ( -9.443 15.106 -0.177) 17.816 3.429 ( -5.323 7.660 23.569) 25.348 3.702 ( -2.520 -6.662 -0.721) 7.159 3.800 ( 3.023 3.854 -0.250) 4.905 4.198 ( -5.027 6.346 -10.642) 13.371 5.077 ( 7.459 -3.770 5.682) 10.106 5.328 ( -1.702 -4.220 12.894) 13.673 5.520 ( 7.949 -8.842 3.497) 12.393 5.665 ( 0.779 4.009 -0.094) 4.085 6.019 ( -0.133 2.780 -6.097) 6.702 6.154 ( 7.970 -5.335 -4.405) 10.554 6.355 ( -7.299 -10.108 9.327) 15.570 6.711 ( -2.557 16.275 7.926) 18.282 7.166 ( 2.653 -5.745 -12.931) 14.397 7.472 ( -10.110 8.901 -4.127) 14.088 7.937 ( -2.855 4.919 10.583) 12.015 8.205 ( 0.808 0.276 -0.885) 1.230 8.574 ( -7.532 5.819 11.647) 15.042 8.813 ( 1.728 -3.651 -5.349) 6.702 8.822 ( 3.533 -0.120 -3.410) 4.911 9.236 ( 2.943 -3.248 7.799) 8.946 10.306 ( 21.259 -21.988 -36.690) 47.765 10.551 ( 4.023 -3.849 -4.651) 7.255 11.967 ( 1.321 0.235 -0.299) 1.374 12.317 ( -7.276 -11.949 -0.394) 13.996 12.847 ( 7.986 9.646 -4.265) 13.229 13.347 ( 9.604 -6.793 -1.612) 11.874 13.602 ( -2.143 -2.325 0.183) 3.167 13.951 ( -5.809 6.969 -1.342) 9.171 14.134 ( -0.733 0.748 -0.690) 1.254 15.020 ( -8.655 7.792 25.427) 27.967 ======================= Grid point 10 (9/156) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 15.223 15.878 0.000) 21.996 1.445 ( -0.382 34.822 0.000) 34.824 2.073 ( 15.987 10.312 -0.000) 19.024 2.220 ( 0.040 -1.325 -0.000) 1.325 2.725 ( 16.241 5.552 -0.000) 17.164 3.158 ( 18.059 12.868 -0.000) 22.175 3.562 ( -13.386 3.668 0.000) 13.880 3.733 ( 4.567 -7.589 -0.000) 8.857 3.740 ( 1.282 -2.168 -0.000) 2.518 4.494 ( 7.741 10.638 0.000) 13.156 4.950 ( -1.643 -6.597 -0.000) 6.799 5.087 ( -9.338 -13.632 -0.000) 16.524 5.242 ( -13.972 -6.357 0.000) 15.350 5.451 ( -1.028 -0.767 0.000) 1.283 6.011 ( 5.081 -2.360 -0.000) 5.602 6.384 ( -5.693 6.740 0.000) 8.823 6.521 ( -7.761 -19.250 -0.000) 20.756 6.575 ( 12.111 16.304 0.000) 20.310 7.195 ( 7.189 6.777 -0.000) 9.880 7.944 ( 11.688 13.680 0.000) 17.993 8.249 ( 15.208 -2.495 -0.000) 15.411 8.258 ( -1.160 5.801 0.000) 5.916 8.583 ( -0.447 -3.727 -0.000) 3.754 8.610 ( -8.059 0.468 0.000) 8.072 8.942 ( 1.711 -2.677 -0.000) 3.177 9.041 ( -8.363 -4.353 0.000) 9.428 9.577 ( -6.774 -2.401 0.000) 7.187 10.316 ( -6.509 -6.377 0.000) 9.112 12.076 ( 4.476 2.862 -0.000) 5.313 12.201 ( -16.480 10.081 0.000) 19.319 12.840 ( 13.238 -12.852 -0.000) 18.451 13.007 ( -5.717 -11.189 -0.000) 12.565 13.592 ( -4.394 3.679 0.000) 5.730 14.134 ( 0.096 -0.367 -0.000) 0.379 14.147 ( 4.881 3.808 -0.000) 6.191 15.171 ( -5.829 -4.867 0.000) 7.594 ======================= Grid point 11 (10/156) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 2.160 36.851 7.536) 37.676 2.025 ( 12.668 6.502 11.306) 18.182 2.286 ( 0.577 12.263 7.882) 14.589 2.699 ( 7.787 -4.275 0.660) 8.908 3.100 ( -4.715 -2.829 0.306) 5.507 3.213 ( 10.453 -7.630 -2.534) 13.187 3.553 ( -0.359 -5.634 -8.597) 10.285 3.902 ( 5.683 -5.256 -3.696) 8.578 4.058 ( -0.313 -1.708 2.599) 3.126 4.375 ( 4.292 2.408 -3.059) 5.795 4.612 ( -15.376 -3.626 12.904) 20.399 4.933 ( 0.677 -7.598 -5.089) 9.170 4.973 ( -2.067 -0.414 0.366) 2.140 5.375 ( 3.592 -11.406 -11.973) 16.922 5.939 ( -6.387 -2.565 -3.794) 7.859 6.394 ( -5.301 -17.009 7.937) 19.504 6.504 ( 8.386 13.658 -1.370) 16.086 6.973 ( 13.169 12.371 -3.935) 18.492 7.501 ( 2.141 9.376 6.531) 11.625 7.918 ( -7.306 8.119 -7.262) 13.116 8.108 ( 0.458 11.588 -2.916) 11.958 8.297 ( -6.803 9.795 1.735) 12.052 8.512 ( -3.944 4.976 3.187) 7.104 8.635 ( -1.925 4.495 3.088) 5.783 8.903 ( 4.210 -6.786 -5.018) 9.432 9.107 ( 5.673 -3.228 0.407) 6.540 9.560 ( 0.781 -3.522 7.902) 8.687 10.099 ( -3.317 -10.136 -0.113) 10.666 11.701 ( -8.344 4.759 1.186) 9.679 12.303 ( 7.828 3.254 -2.218) 8.763 12.790 ( -5.496 -6.805 0.096) 8.747 13.146 ( 1.819 -9.231 -4.416) 10.394 13.478 ( -1.183 -0.259 6.081) 6.200 14.208 ( 2.448 -1.101 2.501) 3.669 14.296 ( 2.516 0.747 0.518) 2.676 14.849 ( -6.819 -6.229 -5.957) 10.991 ======================= Grid point 12 (11/156) ======================= q-point: ( 0.00 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 4.082 29.335 9.747) 31.181 2.108 ( -4.972 13.890 1.303) 14.811 2.683 ( -9.260 -3.387 2.885) 10.274 2.820 ( 6.724 3.756 -0.484) 7.717 2.921 ( -12.346 2.142 6.654) 14.188 3.193 ( -4.891 -1.176 -3.401) 6.073 3.421 ( 3.176 -12.803 -8.491) 15.687 3.607 ( -9.495 -0.239 2.353) 9.785 3.953 ( 0.233 -12.329 0.697) 12.350 4.351 ( -5.097 0.242 5.575) 7.558 4.754 ( 2.501 0.977 -4.126) 4.923 4.955 ( 5.224 -2.974 -14.227) 15.445 5.090 ( 1.855 -3.874 5.074) 6.648 5.319 ( 4.239 -6.181 3.956) 8.475 5.836 ( 5.146 -12.317 3.182) 13.723 6.240 ( -5.819 -8.833 2.050) 10.774 6.442 ( -5.444 14.993 -4.646) 16.614 7.154 ( -8.232 4.717 -12.430) 15.637 7.553 ( 10.759 11.496 5.306) 16.615 7.900 ( -7.735 8.446 5.753) 12.817 7.968 ( -6.384 6.511 7.051) 11.527 8.185 ( -1.721 10.598 3.966) 11.446 8.492 ( -0.691 5.073 1.914) 5.466 8.573 ( 5.066 4.327 -1.775) 6.894 8.945 ( 0.555 -3.096 -2.047) 3.752 9.174 ( -1.009 -1.597 -4.834) 5.190 9.825 ( 10.372 -3.789 -3.643) 11.628 10.145 ( 6.114 -12.405 -2.012) 13.975 11.676 ( 2.181 1.902 7.479) 8.019 12.458 ( -0.845 -0.299 -0.695) 1.134 12.681 ( 1.322 -1.591 -0.183) 2.077 13.020 ( 3.440 -7.675 -10.834) 13.715 13.615 ( 0.422 -2.129 4.930) 5.387 14.294 ( -0.466 1.367 -0.156) 1.453 14.334 ( -2.501 -0.425 -2.604) 3.636 14.611 ( -0.554 -5.756 4.809) 7.521 ======================= Grid point 13 (12/156) ======================= q-point: ( 0.00 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -24.940 3.085 -10.216) 27.127 1.768 ( -12.723 13.537 -9.669) 20.943 2.155 ( -5.943 7.830 -2.908) 10.251 2.488 ( -2.268 17.534 10.147) 20.385 2.593 ( -6.725 -0.480 -14.452) 15.948 3.231 ( -0.835 7.707 16.755) 18.461 3.312 ( -8.791 10.932 -10.224) 17.359 3.657 ( -4.101 -5.129 -3.546) 7.463 3.754 ( 4.233 0.255 -0.028) 4.240 4.540 ( 0.534 2.430 -1.147) 2.740 4.731 ( 8.033 0.751 6.018) 10.065 4.996 ( -0.907 -6.522 7.833) 10.233 5.141 ( 1.845 -8.418 6.039) 10.523 5.621 ( 6.551 -9.603 -3.450) 12.126 6.081 ( 0.804 4.012 0.177) 4.096 6.168 ( -0.329 -5.170 1.222) 5.323 6.273 ( -6.668 11.580 5.887) 14.602 6.805 ( 5.497 3.016 -6.615) 9.114 7.412 ( -11.599 3.410 -5.787) 13.403 7.799 ( -4.568 9.337 6.207) 12.107 7.936 ( -8.842 5.742 12.999) 16.737 8.120 ( -2.490 -4.881 4.666) 7.197 8.604 ( 0.713 5.940 2.327) 6.419 8.802 ( 5.919 1.248 -3.730) 7.107 8.883 ( 0.717 -0.717 -8.251) 8.313 9.033 ( 0.063 -4.284 1.803) 4.648 10.123 ( 13.305 -13.956 -17.797) 26.240 10.390 ( 8.347 -8.627 -3.169) 12.416 11.913 ( 1.325 1.464 6.165) 6.473 12.238 ( -9.117 -12.364 -0.667) 15.377 12.888 ( 11.159 5.242 -1.364) 12.404 13.136 ( 8.549 -3.370 -6.493) 11.252 13.606 ( -2.322 -2.045 -1.229) 3.329 14.172 ( -2.112 3.544 -1.633) 4.437 14.201 ( -2.104 1.841 -2.453) 3.720 14.810 ( -1.292 -0.384 15.205) 15.265 ======================= Grid point 15 (13/156) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 11.309 10.376 -0.000) 15.348 2.035 ( 2.427 24.042 0.000) 24.164 2.350 ( 7.892 6.574 -0.000) 10.272 2.504 ( 7.028 14.392 0.000) 16.017 3.045 ( 4.403 0.529 -0.000) 4.434 3.340 ( -16.324 3.778 0.000) 16.756 3.440 ( 12.871 -6.952 -0.000) 14.629 3.633 ( 2.013 -9.176 -0.000) 9.394 3.949 ( 9.918 6.186 -0.000) 11.689 4.538 ( -9.250 -0.089 0.000) 9.250 4.758 ( -0.896 -12.180 -0.000) 12.213 4.763 ( -14.895 -1.216 0.000) 14.944 4.857 ( -1.406 -13.849 -0.000) 13.921 5.417 ( -3.708 1.821 0.000) 4.132 5.992 ( -6.226 -18.482 -0.000) 19.502 6.161 ( 1.100 6.843 0.000) 6.930 6.552 ( 7.814 11.180 0.000) 13.641 7.133 ( 11.926 15.259 0.000) 19.366 7.378 ( 6.008 1.547 -0.000) 6.204 8.197 ( 1.490 -2.269 -0.000) 2.714 8.299 ( 7.353 -5.810 -0.000) 9.371 8.437 ( -7.133 -1.636 0.000) 7.318 8.562 ( 6.925 9.906 0.000) 12.086 8.713 ( 5.820 9.069 0.000) 10.776 8.871 ( -6.704 2.590 0.000) 7.186 8.918 ( 2.646 -1.859 -0.000) 3.233 9.454 ( -2.709 -0.436 0.000) 2.744 10.024 ( -8.542 -8.818 -0.000) 12.277 12.083 ( -15.642 9.992 0.000) 18.561 12.215 ( 6.073 -0.460 -0.000) 6.091 12.708 ( -4.647 -8.693 -0.000) 9.858 12.803 ( 10.120 -14.378 -0.000) 17.582 13.599 ( -4.597 6.968 0.000) 8.348 14.119 ( 0.571 -1.652 -0.000) 1.748 14.267 ( 2.246 1.765 -0.000) 2.856 14.920 ( -7.996 -7.452 0.000) 10.930 ======================= Grid point 16 (14/156) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 1.659 20.647 4.081) 21.112 2.286 ( 2.878 10.970 10.220) 15.267 2.654 ( 7.747 14.713 6.409) 17.820 2.684 ( -4.276 -0.014 1.342) 4.481 2.983 ( 0.087 -4.273 -0.588) 4.314 3.216 ( 9.335 -11.996 -2.210) 15.360 3.446 ( -1.803 1.259 -10.793) 11.014 3.702 ( -11.776 -9.815 3.617) 15.751 3.819 ( -8.541 -3.832 -4.869) 10.552 4.237 ( -8.137 -1.972 13.802) 16.143 4.709 ( 12.437 -9.211 -9.467) 18.143 4.809 ( 4.354 -1.212 0.680) 4.571 4.971 ( 3.536 -3.539 4.894) 6.998 5.298 ( 1.806 -1.691 -3.536) 4.316 5.669 ( -7.328 -6.655 -9.564) 13.764 6.036 ( -4.701 -10.035 6.415) 12.804 6.938 ( 3.379 14.669 -11.055) 18.677 7.369 ( 10.200 2.735 -6.013) 12.152 7.724 ( -3.006 16.462 9.291) 19.140 7.882 ( -5.529 1.392 -0.161) 5.704 8.166 ( -4.323 -0.748 2.612) 5.106 8.300 ( -10.981 10.262 8.741) 17.387 8.669 ( 2.813 11.442 -3.822) 12.387 8.811 ( 0.543 7.196 -0.838) 7.265 8.838 ( 0.572 0.745 -1.444) 1.723 9.152 ( 5.301 -3.601 0.681) 6.444 9.594 ( 8.218 -3.702 0.192) 9.015 9.835 ( -0.057 -14.148 -0.274) 14.151 11.686 ( -4.932 6.995 2.323) 8.868 12.470 ( 3.676 1.015 -0.370) 3.832 12.530 ( -2.080 -11.771 -0.517) 11.965 12.984 ( 2.183 -10.892 -4.920) 12.150 13.535 ( 0.890 8.265 4.420) 9.415 14.242 ( 3.778 -1.954 2.117) 4.752 14.332 ( 1.223 -0.232 0.312) 1.283 14.568 ( -7.579 -8.134 -3.513) 11.659 ======================= Grid point 17 (15/156) ======================= q-point: ( 0.00 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -8.169 8.022 0.983) 11.491 2.228 ( -8.490 5.291 -1.656) 10.140 2.591 ( -13.376 11.033 4.522) 17.919 2.689 ( -8.827 8.770 -0.980) 12.482 3.028 ( -4.741 6.428 3.439) 8.697 3.122 ( 2.723 8.552 -11.332) 14.456 3.354 ( 9.406 -10.318 -1.506) 14.042 3.526 ( 2.036 -4.582 2.720) 5.705 3.820 ( 4.206 1.025 8.237) 9.305 4.311 ( 0.751 0.189 6.447) 6.494 4.711 ( -0.342 -8.760 -2.387) 9.086 4.930 ( -2.291 -5.026 2.542) 6.080 5.054 ( -2.761 6.483 -10.863) 12.948 5.298 ( 6.699 -10.234 -0.963) 12.270 5.772 ( 11.497 -11.736 2.524) 16.622 6.154 ( 4.902 3.669 6.706) 9.081 6.630 ( -5.938 14.755 -4.879) 16.637 7.060 ( -5.949 -0.480 -15.423) 16.537 7.786 ( -7.615 -1.405 3.938) 8.687 7.893 ( -9.660 12.368 5.717) 16.702 7.920 ( -9.482 8.948 15.320) 20.117 8.074 ( -6.376 -1.110 7.690) 10.051 8.749 ( 0.384 4.910 -3.090) 5.814 8.824 ( 5.612 5.975 -5.407) 9.820 8.898 ( 4.450 1.376 -0.411) 4.676 9.069 ( -5.129 -3.051 -5.796) 8.319 9.922 ( 8.222 -11.390 -7.858) 16.096 10.035 ( 11.536 -10.437 -0.270) 15.559 11.774 ( 2.059 2.383 6.837) 7.527 12.247 ( -8.246 -4.923 -0.025) 9.604 12.715 ( 7.904 -3.726 -0.253) 8.741 13.033 ( 5.684 -6.510 -4.478) 9.733 13.673 ( 2.540 4.645 -3.317) 6.247 14.258 ( -1.723 -0.957 -2.913) 3.517 14.322 ( -0.358 2.309 -1.736) 2.911 14.524 ( 1.687 -4.293 9.931) 10.950 ======================= Grid point 18 (16/156) ======================= q-point: ( 0.00 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -29.071 -0.391 -13.938) 32.242 1.778 ( -6.844 10.095 -4.346) 12.948 2.420 ( -3.946 2.607 -16.181) 16.858 2.624 ( 9.309 13.775 -0.763) 16.644 2.848 ( 2.630 15.034 12.349) 19.632 3.361 ( -0.929 1.986 -6.163) 6.541 3.392 ( -2.781 12.583 6.761) 14.553 3.583 ( -6.626 12.000 -2.415) 13.919 3.908 ( 5.069 4.378 -1.194) 6.804 4.560 ( 2.229 -7.831 -5.419) 9.781 4.706 ( -8.557 0.106 8.170) 11.832 4.949 ( 8.331 -2.641 10.211) 13.440 5.205 ( 9.716 0.625 2.844) 10.143 5.511 ( 9.609 -14.085 -1.808) 17.146 5.922 ( -11.442 -0.943 0.705) 11.503 6.221 ( -2.613 5.057 3.052) 6.459 6.442 ( -3.517 13.662 -2.354) 14.303 7.044 ( 18.991 -4.760 -5.733) 20.400 7.253 ( -14.463 6.722 -0.430) 15.954 7.766 ( -8.575 -4.702 6.920) 11.980 7.780 ( -10.438 4.192 -2.312) 11.483 7.999 ( -1.362 -0.971 15.982) 16.069 8.643 ( -3.347 -1.051 -0.241) 3.517 8.770 ( -1.900 -4.153 -5.849) 7.421 8.864 ( 0.317 0.301 -3.485) 3.513 9.107 ( 4.523 1.240 0.165) 4.693 9.994 ( 5.252 -14.922 -12.483) 20.152 10.396 ( 7.007 -7.933 -4.699) 11.580 11.841 ( -0.039 -9.151 -0.960) 9.201 12.055 ( -1.229 5.358 3.412) 6.470 13.003 ( 0.350 -9.006 -0.511) 9.028 13.223 ( 5.739 1.477 -0.548) 5.951 13.604 ( 1.553 1.601 -4.625) 5.135 14.213 ( -2.671 4.564 -1.285) 5.442 14.237 ( 0.853 2.908 -2.903) 4.196 14.817 ( 1.892 0.125 14.159) 14.285 ======================= Grid point 19 (17/156) ======================= q-point: ( 0.00 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 32.953 6.975 1.138) 33.702 1.660 ( 11.227 18.324 -15.337) 26.401 2.112 ( 2.487 -7.999 -2.365) 8.704 2.626 ( -15.705 31.154 -7.167) 35.617 2.890 ( -1.960 9.802 2.989) 10.433 3.151 ( 2.639 15.721 -4.241) 16.495 3.476 ( 4.413 -3.346 4.604) 7.202 3.665 ( -1.776 3.053 11.204) 11.747 3.917 ( -4.417 7.113 -1.892) 8.584 4.503 ( 5.948 6.095 -2.789) 8.962 4.682 ( -1.734 -10.378 9.626) 14.261 5.008 ( -6.487 -9.923 -2.181) 12.054 5.301 ( -1.064 -8.739 -12.568) 15.345 5.644 ( -7.450 2.688 6.742) 10.401 5.897 ( 2.714 -1.333 -1.222) 3.262 6.243 ( 4.787 1.888 8.252) 9.725 6.578 ( -2.099 0.831 6.325) 6.716 6.694 ( -6.020 8.108 -1.866) 10.269 7.313 ( 4.009 3.039 -12.658) 13.621 7.713 ( 8.478 -3.776 4.761) 10.431 7.879 ( 16.277 -1.137 -1.869) 16.424 8.287 ( 2.618 4.174 9.571) 10.765 8.503 ( 0.817 -9.072 -5.632) 10.710 8.757 ( 2.288 1.103 -5.865) 6.391 8.807 ( -4.801 2.571 10.670) 11.979 9.135 ( -3.786 -1.770 0.282) 4.189 9.781 ( -4.800 -7.796 -11.995) 15.090 10.343 ( -5.244 -5.411 -2.141) 7.833 11.993 ( 2.539 -0.825 7.038) 7.527 12.265 ( 13.627 -5.638 -4.640) 15.460 12.805 ( -12.116 0.604 1.137) 12.185 12.949 ( -9.163 -5.024 -5.813) 11.958 13.704 ( 0.341 2.531 0.274) 2.568 14.160 ( 1.119 4.000 -0.485) 4.181 14.193 ( -0.361 2.722 -2.260) 3.556 15.069 ( -2.770 -4.186 9.578) 10.813 ======================= Grid point 20 (18/156) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 7.821 7.044 -0.000) 10.526 2.437 ( 5.971 10.192 0.000) 11.812 2.655 ( 7.952 5.409 -0.000) 9.618 2.769 ( -8.393 -3.936 0.000) 9.270 2.977 ( 5.575 6.991 0.000) 8.941 3.154 ( -10.710 6.779 0.000) 12.675 3.474 ( -0.612 -8.674 -0.000) 8.696 3.614 ( 2.073 -0.584 -0.000) 2.154 3.979 ( -4.418 -0.099 0.000) 4.420 4.366 ( 7.623 -14.066 -0.000) 15.999 4.382 ( -15.301 -3.096 0.000) 15.612 4.640 ( -2.025 -9.668 -0.000) 9.878 4.790 ( 7.543 9.074 0.000) 11.800 5.358 ( -5.468 -1.006 0.000) 5.560 5.668 ( 3.545 -9.950 -0.000) 10.562 6.080 ( -15.437 1.378 0.000) 15.498 7.059 ( 17.677 10.258 -0.000) 20.437 7.531 ( 3.272 8.236 0.000) 8.862 7.575 ( 8.690 4.964 -0.000) 10.007 8.074 ( -3.638 -5.971 -0.000) 6.992 8.287 ( -8.984 3.317 0.000) 9.577 8.309 ( 9.140 -9.816 -0.000) 13.412 8.812 ( -5.871 10.674 0.000) 12.182 8.827 ( 9.972 -9.267 -0.000) 13.613 8.926 ( 1.384 12.025 0.000) 12.104 9.122 ( 3.030 11.090 0.000) 11.496 9.434 ( 1.910 -2.414 -0.000) 3.079 9.672 ( -9.163 -9.793 -0.000) 13.411 12.006 ( -11.439 9.731 0.000) 15.018 12.199 ( 4.492 -12.086 -0.000) 12.894 12.572 ( -3.156 2.536 0.000) 4.049 12.698 ( 6.020 -11.862 -0.000) 13.302 13.720 ( -1.042 11.717 0.000) 11.763 14.091 ( 1.752 -4.312 -0.000) 4.654 14.314 ( 0.821 0.755 -0.000) 1.116 14.604 ( -8.328 -8.227 0.000) 11.707 ======================= Grid point 21 (19/156) ======================= q-point: ( 0.00 -0.80 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -1.519 7.609 2.594) 8.181 2.453 ( -9.029 -4.667 1.819) 10.325 2.645 ( 0.475 9.815 5.776) 11.399 2.889 ( 8.982 -10.154 -0.439) 13.563 3.174 ( 5.106 15.108 1.288) 16.000 3.201 ( -6.700 0.787 -3.664) 7.677 3.336 ( -2.035 -2.757 3.366) 4.803 3.494 ( 3.251 1.444 7.007) 7.858 3.657 ( -5.666 4.820 -12.800) 14.805 4.190 ( 0.963 3.056 9.628) 10.147 4.493 ( -1.578 -17.563 -1.725) 17.718 4.811 ( 5.316 -8.197 -2.126) 9.998 5.124 ( 4.522 1.736 -0.304) 4.853 5.247 ( 4.555 -7.277 2.784) 9.025 5.505 ( -6.985 1.285 -5.112) 8.750 5.991 ( 11.217 2.500 -0.030) 11.493 7.121 ( -7.198 6.031 -13.101) 16.119 7.397 ( -3.207 -3.310 -12.760) 13.567 7.819 ( -5.407 1.437 1.280) 5.740 7.961 ( -2.599 5.200 13.580) 14.772 8.006 ( -8.101 7.414 12.878) 16.925 8.343 ( -12.475 15.162 2.920) 19.851 8.653 ( 1.547 -11.455 1.387) 11.642 8.940 ( 2.575 7.824 -5.316) 9.803 9.068 ( -0.464 7.257 -1.636) 7.453 9.193 ( 0.969 2.238 -2.982) 3.852 9.552 ( 3.912 -16.265 1.388) 16.787 9.703 ( 11.335 -6.009 -1.628) 12.932 11.775 ( -1.781 8.435 2.534) 8.986 12.309 ( -1.567 -4.802 -0.741) 5.105 12.504 ( 2.317 -3.027 0.445) 3.838 12.834 ( 3.234 -9.992 -1.197) 10.571 13.791 ( 3.818 9.869 -1.159) 10.645 14.201 ( 0.535 -9.767 2.844) 10.187 14.347 ( -1.168 -0.771 -0.714) 1.572 14.370 ( 1.936 1.646 -1.082) 2.762 ======================= Grid point 22 (20/156) ======================= q-point: ( 0.00 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -27.618 3.886 -8.189) 29.067 2.103 ( -14.903 2.959 2.536) 15.404 2.616 ( 2.340 8.953 1.711) 9.411 2.761 ( -1.661 -0.230 4.660) 4.953 3.054 ( -6.463 9.742 -5.665) 12.992 3.313 ( 5.019 -1.703 -9.458) 10.842 3.511 ( 14.994 1.487 -4.145) 15.627 3.566 ( 4.189 4.133 6.694) 8.913 4.065 ( 4.661 9.705 10.052) 14.729 4.303 ( 1.408 -10.971 0.709) 11.084 4.529 ( 2.144 0.018 10.997) 11.204 4.845 ( -2.827 4.431 5.640) 7.710 5.112 ( 6.495 -15.888 -5.658) 18.073 5.264 ( 4.242 7.257 -14.523) 16.780 5.833 ( 10.551 -3.912 2.240) 11.473 6.412 ( 3.215 6.715 0.962) 7.507 6.687 ( -2.959 -1.882 -2.034) 4.054 6.989 ( -2.702 6.641 -9.839) 12.174 7.441 ( -12.205 -9.015 5.431) 16.117 7.845 ( -14.204 5.949 3.578) 15.810 7.910 ( -12.317 10.691 16.860) 23.458 7.997 ( -5.059 2.299 2.720) 6.187 8.706 ( -1.136 -1.025 -0.183) 1.540 8.842 ( -6.995 -7.607 -8.174) 13.176 8.937 ( 1.660 -0.130 -5.668) 5.908 9.094 ( 3.093 2.837 -2.267) 4.770 9.789 ( 4.890 -10.223 -0.848) 11.364 10.142 ( 11.911 -5.842 -3.320) 13.676 11.772 ( -1.161 -2.081 -2.452) 3.419 12.154 ( -4.944 7.553 5.356) 10.497 12.807 ( 7.141 -6.222 -1.003) 9.524 12.986 ( 7.180 -5.872 3.795) 10.022 13.751 ( 0.095 0.118 -8.055) 8.057 14.270 ( 1.140 0.791 0.713) 1.560 14.371 ( -0.573 1.677 -2.119) 2.762 14.545 ( 5.191 1.827 6.990) 8.896 ======================= Grid point 24 (21/156) ======================= q-point: ( 0.00 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 8.709 6.747 -11.504) 15.928 2.153 ( 21.736 -2.526 2.762) 22.056 2.248 ( 11.524 12.638 -0.911) 17.128 2.823 ( -7.044 12.396 -1.075) 14.298 3.022 ( 0.504 1.468 -4.911) 5.151 3.281 ( -4.486 6.634 4.014) 8.958 3.491 ( 3.362 0.250 -2.066) 3.955 3.677 ( -10.650 6.973 5.147) 13.731 3.957 ( -2.959 1.052 2.579) 4.064 4.411 ( 3.605 -12.073 2.295) 12.807 4.621 ( -0.265 -5.689 -4.081) 7.007 4.741 ( -10.176 -0.015 3.007) 10.612 5.029 ( -6.697 -8.815 -7.193) 13.202 5.559 ( -10.725 5.386 6.611) 13.702 5.904 ( -15.412 -10.006 0.869) 18.396 6.216 ( 17.414 12.327 -3.558) 21.630 6.713 ( -7.312 1.004 2.879) 7.923 6.883 ( 10.150 11.513 11.298) 19.058 7.481 ( 12.045 -0.798 -12.937) 17.694 7.759 ( 9.924 -6.672 3.114) 12.358 8.099 ( 12.977 -8.478 -7.996) 17.442 8.313 ( 5.565 -10.280 -1.188) 11.750 8.606 ( 7.634 11.800 7.536) 15.948 8.740 ( -5.805 1.013 7.327) 9.403 8.903 ( 5.109 5.695 -1.541) 7.804 9.052 ( -3.883 2.002 -0.872) 4.455 9.597 ( -5.103 -1.815 -6.197) 8.231 10.108 ( -10.397 -3.182 -0.548) 10.887 11.994 ( 2.117 -4.650 9.024) 10.370 12.379 ( 10.150 -7.296 -4.971) 13.452 12.658 ( -14.081 6.114 -5.532) 16.317 12.678 ( -4.913 -3.003 -0.771) 5.810 13.755 ( -1.093 4.438 2.513) 5.216 14.169 ( -2.749 1.141 -3.721) 4.765 14.281 ( 1.434 2.770 -0.459) 3.153 14.861 ( -6.460 -7.836 5.353) 11.480 ======================= Grid point 25 (22/156) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -5.870 -10.584 -0.000) 12.103 2.404 ( 5.870 10.584 0.000) 12.103 2.695 ( -3.018 -5.034 -0.000) 5.870 2.695 ( 3.018 5.034 0.000) 5.870 3.266 ( -2.776 -8.548 -0.000) 8.988 3.266 ( 2.776 8.548 0.000) 8.988 3.334 ( -6.992 -11.363 -0.000) 13.342 3.334 ( 6.992 11.363 0.000) 13.342 4.104 ( -2.407 -9.341 -0.000) 9.646 4.104 ( 2.407 9.341 0.000) 9.646 4.414 ( -14.428 4.483 0.000) 15.108 4.414 ( 14.428 -4.483 -0.000) 15.108 5.127 ( -7.490 -8.755 -0.000) 11.522 5.127 ( 7.490 8.755 0.000) 11.522 5.774 ( -14.089 -0.233 0.000) 14.091 5.774 ( 14.089 0.233 -0.000) 14.091 7.485 ( -10.465 -4.439 0.000) 11.368 7.485 ( 10.465 4.439 -0.000) 11.368 7.852 ( -6.508 -7.335 -0.000) 9.806 7.852 ( 6.508 7.335 0.000) 9.806 8.271 ( 9.155 -11.792 -0.000) 14.929 8.271 ( -9.155 11.792 0.000) 14.929 8.841 ( 11.479 -11.209 -0.000) 16.044 8.841 ( -11.479 11.209 0.000) 16.044 9.221 ( 0.163 -11.307 -0.000) 11.308 9.221 ( -0.163 11.307 0.000) 11.308 9.407 ( 6.712 -5.536 -0.000) 8.701 9.407 ( -6.712 5.536 0.000) 8.701 12.045 ( 6.002 -12.001 -0.000) 13.418 12.045 ( -6.002 12.001 0.000) 13.418 12.608 ( 3.658 -7.087 -0.000) 7.975 12.608 ( -3.658 7.087 0.000) 7.975 13.962 ( -0.467 -11.461 -0.000) 11.471 13.962 ( 0.467 11.461 0.000) 11.471 14.371 ( -3.483 -2.859 0.000) 4.506 14.371 ( 3.483 2.859 -0.000) 4.506 ======================= Grid point 27 (23/156) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -9.154 -3.595 8.150) 12.773 2.422 ( -7.808 6.628 -2.805) 10.619 2.601 ( -3.611 -7.733 2.119) 8.794 2.892 ( 1.544 -2.834 2.564) 4.122 2.987 ( -2.467 -2.867 -1.471) 4.058 3.302 ( -2.251 4.576 -2.015) 5.483 3.485 ( 8.427 -0.866 0.403) 8.481 3.701 ( 5.785 -3.870 7.381) 10.145 3.782 ( -0.458 10.369 -12.636) 16.352 4.184 ( 4.813 0.693 1.377) 5.054 4.413 ( 1.645 10.143 9.814) 14.209 4.754 ( 4.745 -7.119 -3.914) 9.408 4.944 ( -3.278 -8.210 2.945) 9.318 5.435 ( 7.542 3.651 -2.327) 8.696 5.520 ( 9.616 0.524 -2.948) 10.071 6.374 ( 15.741 4.997 -1.637) 16.596 6.830 ( -17.425 -7.721 -4.106) 19.496 7.241 ( -6.695 -6.863 -12.947) 16.110 7.657 ( -13.584 5.790 1.087) 14.807 7.906 ( -5.672 -2.076 8.595) 10.505 8.090 ( -9.639 12.537 14.425) 21.405 8.287 ( -12.798 9.148 2.654) 15.953 8.627 ( 6.846 -1.138 -2.929) 7.532 9.000 ( 1.047 -2.317 -4.553) 5.214 9.007 ( -8.520 -9.124 -6.281) 13.974 9.131 ( -2.816 -2.912 -0.973) 4.166 9.493 ( 6.546 -2.216 3.818) 7.895 9.858 ( 13.463 -2.086 -0.189) 13.625 11.902 ( -1.083 7.265 -3.728) 8.237 12.334 ( -1.892 8.932 4.202) 10.050 12.492 ( 8.025 -6.692 0.334) 10.454 12.724 ( 1.680 -6.679 1.777) 7.113 13.853 ( -1.169 -4.864 -5.731) 7.608 14.125 ( 3.676 -1.310 6.157) 7.289 14.332 ( 0.154 -1.416 0.541) 1.524 14.562 ( 6.952 8.318 -3.104) 11.276 ======================= Grid point 28 (24/156) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -32.704 2.782 -10.396) 34.430 1.918 ( -8.609 2.724 2.865) 9.473 2.562 ( -1.562 -9.448 13.236) 16.337 2.888 ( 2.329 4.650 1.468) 5.404 3.130 ( -1.491 7.041 -7.167) 10.157 3.372 ( 0.433 -0.585 -10.112) 10.138 3.613 ( 13.389 -10.871 1.703) 17.330 3.799 ( 2.581 0.914 -1.848) 3.303 4.121 ( -3.937 1.035 -0.759) 4.141 4.247 ( 5.842 -1.868 9.830) 11.587 4.669 ( 2.140 3.857 6.843) 8.141 4.923 ( 2.170 -1.589 2.669) 3.788 5.145 ( 16.003 4.674 3.530) 17.041 5.465 ( 1.857 4.237 -16.295) 16.939 5.988 ( -0.779 0.938 -4.002) 4.183 6.173 ( -9.675 -6.976 2.796) 12.251 6.751 ( 11.137 -7.800 -3.167) 13.961 7.077 ( -7.847 -2.947 1.564) 8.526 7.176 ( 2.454 6.883 1.291) 7.421 7.597 ( -16.528 3.198 5.805) 17.808 7.840 ( -9.372 3.330 8.999) 13.413 8.011 ( -4.701 7.211 -3.563) 9.316 8.519 ( -5.284 -6.324 -4.451) 9.367 8.748 ( 2.075 -0.925 -2.649) 3.490 8.916 ( -0.703 -2.052 -2.070) 2.998 9.135 ( 1.206 -0.749 -0.378) 1.470 9.753 ( 2.673 -1.431 2.795) 4.123 10.246 ( 6.231 -1.198 -1.379) 6.493 11.740 ( -1.609 1.550 -4.805) 5.299 12.224 ( -3.507 5.690 4.766) 8.209 12.712 ( -0.815 -3.691 0.001) 3.780 13.144 ( 13.303 -3.048 3.862) 14.183 13.733 ( -1.316 -0.409 -3.721) 3.968 14.294 ( 0.599 -0.030 1.378) 1.502 14.336 ( -0.776 -2.697 1.449) 3.158 14.731 ( 3.916 5.112 -2.471) 6.897 ======================= Grid point 51 (25/156) ======================= q-point: ( 0.05 -0.05 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -14.318 30.326 0.000) 33.536 0.456 ( -23.917 0.120 0.000) 23.917 1.071 ( -54.989 -9.068 0.000) 55.731 2.334 ( -7.918 8.998 0.000) 11.986 2.370 ( 5.149 -0.092 -0.000) 5.150 2.524 ( -13.820 -7.490 0.000) 15.719 3.684 ( 4.902 1.628 -0.000) 5.165 3.773 ( 1.659 -1.317 -0.000) 2.119 3.776 ( -4.228 -1.356 0.000) 4.440 4.013 ( -5.561 -0.187 0.000) 5.564 5.184 ( 8.992 -0.933 -0.000) 9.040 5.444 ( 3.325 2.334 -0.000) 4.062 5.615 ( -10.332 -1.704 0.000) 10.472 5.699 ( 16.004 -1.261 -0.000) 16.053 5.943 ( 0.010 -0.703 -0.000) 0.703 6.029 ( 2.555 0.612 -0.000) 2.627 6.515 ( 1.908 5.819 0.000) 6.124 6.693 ( -12.896 -3.125 0.000) 13.270 7.126 ( 2.754 -4.249 -0.000) 5.063 7.250 ( -8.965 3.843 0.000) 9.754 7.933 ( 3.522 -2.468 -0.000) 4.301 8.213 ( -3.563 -0.240 0.000) 3.571 8.742 ( 5.360 -1.119 -0.000) 5.476 8.785 ( 4.106 1.959 -0.000) 4.549 8.910 ( -3.393 -0.842 0.000) 3.496 9.365 ( 3.679 0.065 -0.000) 3.680 9.818 ( 2.587 1.640 -0.000) 3.063 10.538 ( 3.123 0.013 -0.000) 3.123 11.946 ( -1.999 -0.055 0.000) 1.999 12.275 ( 7.972 8.800 0.000) 11.874 12.850 ( -6.343 -8.634 -0.000) 10.713 13.423 ( 11.947 -1.371 -0.000) 12.025 13.611 ( -0.478 1.976 0.000) 2.033 13.861 ( -9.536 -0.566 0.000) 9.553 14.121 ( -0.821 -0.008 0.000) 0.821 15.355 ( 2.157 0.367 -0.000) 2.188 ======================= Grid point 52 (26/156) ======================= q-point: ( 0.05 0.15 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 6.631 -15.101 16.331) 23.210 0.805 ( 20.583 2.162 20.963) 29.458 1.332 ( 38.486 4.627 28.469) 48.095 2.320 ( 6.768 -6.486 -0.966) 9.424 2.371 ( 2.733 1.658 -2.646) 4.149 2.495 ( 12.059 3.960 -2.266) 12.893 3.330 ( 9.303 0.883 -21.451) 23.398 3.707 ( -3.400 -3.371 0.825) 4.858 3.802 ( 4.312 2.758 -0.052) 5.119 4.141 ( 4.995 0.443 12.490) 13.459 5.131 ( -9.841 1.596 -6.285) 11.786 5.373 ( 1.809 -3.985 -11.241) 12.063 5.515 ( 7.280 1.444 -8.465) 11.258 5.696 ( -11.270 1.950 -1.718) 11.565 5.997 ( -1.322 1.273 6.549) 6.801 6.247 ( -19.965 -0.051 5.749) 20.776 6.410 ( 1.943 -11.497 -7.683) 13.964 6.574 ( 14.751 9.879 -8.106) 19.516 7.268 ( -0.838 -0.560 11.420) 11.464 7.325 ( 5.109 -0.547 7.152) 8.806 7.866 ( -0.992 0.912 -8.125) 8.236 8.210 ( 0.135 0.532 0.754) 0.933 8.492 ( 16.592 -0.791 -12.480) 20.776 8.824 ( -5.180 0.188 5.384) 7.474 8.857 ( -1.596 0.222 4.259) 4.553 9.269 ( -1.916 -0.071 -9.777) 9.963 10.568 ( -20.083 -0.469 17.597) 26.706 10.624 ( -24.310 0.603 26.483) 35.954 11.999 ( -6.130 1.739 5.059) 8.136 12.283 ( -7.570 -9.479 0.769) 12.155 12.884 ( 5.827 7.647 3.732) 10.313 13.431 ( -11.685 1.394 0.867) 11.799 13.613 ( 0.559 -2.374 0.203) 2.447 13.872 ( 9.191 0.716 1.293) 9.309 14.126 ( 1.274 0.008 0.300) 1.309 14.881 ( 25.671 -0.466 -32.067) 41.080 ======================= Grid point 53 (27/156) ======================= q-point: ( 0.05 0.35 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.219 -15.008 8.000) 17.008 1.723 ( 10.692 -1.226 2.224) 10.990 2.327 ( 1.436 4.047 16.635) 17.181 2.785 ( 9.882 -4.122 -3.984) 11.424 2.962 ( 16.932 -8.237 -13.578) 23.214 3.124 ( 20.191 14.804 5.345) 25.601 3.403 ( 14.810 3.434 4.124) 15.753 3.535 ( -2.708 -2.394 -1.037) 3.761 3.976 ( 4.712 -1.447 2.398) 5.481 4.554 ( -8.004 4.802 -9.407) 13.252 4.603 ( 2.611 -0.528 9.143) 9.524 5.054 ( -5.578 -1.762 -5.246) 7.858 5.429 ( 1.121 -12.435 -3.000) 12.841 5.629 ( -3.621 12.320 -5.302) 13.893 5.693 ( -3.046 -5.399 -0.633) 6.231 6.161 ( 2.632 3.248 -0.509) 4.212 6.468 ( 6.808 -4.448 0.488) 8.147 6.963 ( 7.586 15.463 0.795) 17.242 7.415 ( -2.035 -17.975 4.370) 18.610 7.599 ( -1.226 6.195 5.614) 8.450 7.672 ( 0.193 0.586 -5.591) 5.624 8.018 ( -2.262 -2.751 -13.815) 14.267 8.595 ( -3.937 1.411 -0.309) 4.194 8.717 ( -0.349 3.960 -1.738) 4.339 8.867 ( -0.456 -0.302 6.656) 6.678 9.158 ( 0.186 -0.641 0.304) 0.734 10.052 ( -16.295 -0.414 11.074) 19.706 10.467 ( -8.202 -0.040 5.646) 9.958 11.854 ( -5.499 -0.445 -3.324) 6.441 12.118 ( 1.070 -8.621 1.650) 8.842 12.941 ( -9.005 5.953 -0.380) 10.801 13.233 ( 2.081 5.357 4.963) 7.594 13.661 ( 1.105 -3.772 0.906) 4.034 14.167 ( 5.439 1.443 0.973) 5.711 14.249 ( 3.011 -0.233 2.885) 4.177 14.848 ( 1.489 -1.146 -14.352) 14.475 ======================= Grid point 54 (28/156) ======================= q-point: ( 0.05 -0.45 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -2.212 7.745 0.803) 8.095 1.837 ( 3.135 -0.597 -1.181) 3.403 2.555 ( -9.728 -0.862 -14.355) 17.362 2.893 ( 2.417 1.170 -3.676) 4.552 3.120 ( 9.101 0.248 8.263) 12.295 3.339 ( -3.175 3.823 3.271) 5.950 3.781 ( -1.640 -2.058 5.486) 6.085 3.841 ( 1.660 -1.298 3.961) 4.486 4.049 ( 2.666 0.141 -3.774) 4.623 4.357 ( -7.909 -3.995 -1.985) 9.081 4.711 ( 3.160 -2.081 -2.258) 4.406 4.906 ( 3.443 3.654 -9.359) 10.621 5.408 ( 0.042 3.508 2.023) 4.050 5.499 ( 0.909 -11.205 9.068) 14.444 5.754 ( -6.231 9.962 3.979) 12.405 6.177 ( 3.719 -1.840 0.224) 4.155 6.833 ( 0.270 0.101 -2.375) 2.393 7.080 ( -3.344 3.246 -0.182) 4.664 7.222 ( -2.036 -0.791 -0.558) 2.255 7.380 ( 3.398 -5.248 1.594) 6.452 7.770 ( 1.009 -1.406 -10.612) 10.752 7.948 ( 5.544 1.388 5.635) 8.026 8.454 ( -2.139 1.672 0.026) 2.715 8.732 ( 3.166 3.116 -4.229) 6.134 8.930 ( -3.800 -1.522 5.822) 7.117 9.154 ( -1.239 -0.751 1.852) 2.351 9.780 ( -1.681 -0.076 -2.655) 3.143 10.306 ( -1.673 0.071 1.475) 2.232 11.696 ( 1.120 2.858 -0.946) 3.212 12.215 ( -0.139 -2.657 0.408) 2.692 12.701 ( 0.012 0.038 -0.005) 0.040 13.314 ( -1.263 -2.721 0.233) 3.009 13.685 ( -0.195 2.610 -0.590) 2.683 14.296 ( 0.686 0.367 -1.657) 1.831 14.330 ( -2.316 -0.330 -0.639) 2.426 14.771 ( 3.834 -0.256 2.846) 4.782 ======================= Grid point 55 (29/156) ======================= q-point: ( 0.05 -0.25 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -4.489 28.247 -3.718) 28.842 1.550 ( -20.332 1.626 -15.992) 25.919 2.111 ( 8.928 -2.174 -5.068) 10.494 2.791 ( -10.203 9.294 -1.803) 13.919 2.967 ( -30.476 -18.068 -6.626) 36.044 3.162 ( -20.621 3.390 6.970) 22.029 3.426 ( 3.008 1.249 -0.242) 3.266 3.674 ( -7.158 -2.086 14.051) 15.906 3.953 ( -4.773 0.363 0.369) 4.801 4.434 ( -4.959 0.810 -7.650) 9.152 4.745 ( 8.367 -5.002 9.798) 13.821 5.083 ( 10.340 -0.812 -1.518) 10.483 5.254 ( 8.561 5.409 -15.476) 18.494 5.745 ( 6.502 -6.827 6.769) 11.606 5.861 ( -3.073 8.953 10.562) 14.183 6.183 ( -9.942 -6.423 1.577) 11.941 6.493 ( -3.527 8.813 2.519) 9.821 6.944 ( -2.853 -14.005 -0.336) 14.296 7.255 ( -0.041 6.646 -11.049) 12.894 7.566 ( -3.393 2.002 0.507) 3.972 7.732 ( 5.219 -2.230 1.767) 5.944 8.253 ( -0.682 0.793 10.535) 10.587 8.503 ( 9.102 -1.013 -6.684) 11.338 8.706 ( 0.320 2.574 -4.827) 5.479 8.890 ( -3.291 -3.162 8.763) 9.880 9.172 ( 1.969 0.100 1.215) 2.316 9.814 ( 9.646 1.705 -13.425) 16.618 10.393 ( 5.244 0.178 -2.532) 5.826 11.901 ( 7.699 7.014 1.717) 10.555 12.095 ( -3.491 2.405 -0.871) 4.328 12.955 ( 9.642 -4.824 1.007) 10.828 13.152 ( -4.451 -8.721 -3.698) 10.466 13.645 ( -0.877 5.447 -0.735) 5.565 14.156 ( -5.391 -1.065 -0.166) 5.498 14.201 ( -2.511 -0.014 -2.248) 3.370 15.088 ( 3.568 0.743 10.674) 11.279 ======================= Grid point 57 (30/156) ======================= q-point: ( 0.05 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -2.351 34.361 10.437) 35.988 1.255 ( 16.706 9.600 19.860) 27.670 2.101 ( 29.544 -6.797 5.494) 30.810 2.306 ( -5.051 1.016 7.571) 9.158 2.627 ( 24.197 1.083 -3.159) 24.427 2.891 ( 17.112 13.837 2.089) 22.105 3.508 ( -5.174 1.126 -7.475) 9.160 3.610 ( 3.556 2.021 -10.941) 11.681 3.851 ( 2.220 -4.045 0.185) 4.617 4.349 ( 8.265 5.732 7.928) 12.807 4.981 ( -6.473 -0.644 -5.824) 8.731 5.230 ( -8.388 -5.221 -7.041) 12.132 5.323 ( -8.975 -5.382 -2.072) 10.668 5.634 ( -5.211 -10.077 5.698) 12.695 6.041 ( -4.487 7.019 1.943) 8.554 6.185 ( 10.248 12.410 -6.294) 17.281 6.259 ( 0.783 -6.384 -6.668) 9.264 6.959 ( 5.224 -14.020 2.523) 15.173 7.094 ( 1.926 7.964 6.919) 10.724 7.635 ( 7.877 14.453 1.289) 16.511 7.965 ( -2.350 10.370 -7.185) 12.833 8.229 ( 2.199 -0.385 -7.294) 7.628 8.650 ( 1.248 -1.024 -1.960) 2.539 8.705 ( -6.862 0.630 8.443) 10.898 8.853 ( 2.882 -1.322 -3.941) 5.058 9.166 ( -3.451 -4.971 -3.872) 7.184 9.947 ( -15.007 -9.623 24.769) 30.518 10.453 ( -6.075 -4.766 3.695) 8.560 12.002 ( 1.520 -0.646 -1.975) 2.575 12.060 ( -10.985 6.095 0.765) 12.586 13.045 ( 8.352 -5.565 1.645) 10.170 13.196 ( -8.058 -4.626 2.122) 9.530 13.563 ( -1.615 -1.003 0.425) 1.948 14.085 ( 6.590 3.672 1.018) 7.613 14.155 ( 1.490 -0.207 1.370) 2.035 15.091 ( 0.072 -0.763 -15.570) 15.588 ======================= Grid point 58 (31/156) ======================= q-point: ( 0.05 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 3.169 28.784 12.928) 31.713 1.926 ( 4.460 7.625 -2.639) 9.220 2.465 ( 4.194 5.425 22.696) 23.709 2.817 ( 5.790 -5.808 -0.246) 8.204 3.077 ( 9.040 -3.568 -13.077) 16.293 3.277 ( -5.921 -4.450 3.083) 8.023 3.667 ( 12.582 -2.905 0.344) 12.917 3.743 ( 2.903 -1.273 -5.302) 6.177 4.135 ( 15.903 4.733 -3.850) 17.033 4.311 ( -13.878 -1.917 4.991) 14.872 4.755 ( 1.795 2.847 -4.756) 5.826 4.936 ( -1.861 -4.196 1.466) 4.818 5.125 ( -4.942 -11.175 4.498) 13.021 5.386 ( 0.857 -13.329 -12.693) 18.426 5.900 ( -1.103 8.455 4.755) 9.763 6.281 ( 0.475 6.160 -3.192) 6.954 6.740 ( 16.000 7.741 0.404) 17.778 6.891 ( -8.445 -18.680 7.574) 21.855 7.333 ( -1.229 9.125 -2.087) 9.441 7.667 ( -2.159 13.302 -5.592) 14.590 7.839 ( 1.912 8.565 4.176) 9.718 8.018 ( 0.884 4.436 -13.367) 14.112 8.545 ( -6.872 4.946 6.628) 10.753 8.726 ( -2.250 -2.648 4.104) 5.377 8.890 ( 2.465 0.438 -1.240) 2.794 9.130 ( 1.355 -1.787 -0.570) 2.314 9.794 ( -6.106 -3.283 6.913) 9.790 10.272 ( -4.495 -6.545 1.788) 8.139 11.705 ( -5.008 -0.906 2.525) 5.681 12.177 ( 7.004 2.588 -3.863) 8.407 12.832 ( -8.199 1.618 0.054) 8.357 13.237 ( -0.042 -8.187 -2.665) 8.610 13.633 ( 1.286 -1.530 5.597) 5.944 14.277 ( 1.794 -0.519 1.287) 2.268 14.295 ( 3.309 1.371 3.081) 4.725 14.791 ( -2.431 -3.557 -9.549) 10.476 ======================= Grid point 59 (32/156) ======================= q-point: ( 0.05 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 1.477 34.862 6.592) 35.511 1.941 ( -1.482 7.928 4.024) 9.013 2.378 ( -8.267 1.430 -23.678) 25.120 2.914 ( -2.723 -2.231 4.822) 5.970 3.177 ( -5.692 -4.647 2.598) 7.794 3.288 ( -11.466 -1.745 12.299) 16.905 3.443 ( 0.095 -5.361 -6.857) 8.705 3.659 ( -12.363 -3.555 3.346) 13.292 4.076 ( -4.536 -2.413 -0.634) 5.176 4.338 ( 8.175 0.663 -4.379) 9.298 4.687 ( -2.684 -0.517 -1.997) 3.385 4.913 ( 3.367 -6.236 -1.618) 7.269 5.300 ( 7.273 -12.463 -2.856) 14.710 5.528 ( 3.390 -0.361 8.973) 9.598 5.928 ( -5.305 16.204 -0.213) 17.051 6.126 ( 0.853 -6.240 2.833) 6.906 6.570 ( -8.997 -7.367 4.468) 12.457 6.921 ( -8.166 -0.475 -5.632) 9.931 7.433 ( 12.969 4.785 -2.254) 14.006 7.636 ( -0.217 9.395 -6.957) 11.692 7.863 ( 0.121 15.269 0.700) 15.285 8.106 ( 0.757 6.829 11.749) 13.610 8.466 ( 2.989 0.711 -2.390) 3.893 8.693 ( -4.242 -4.871 8.106) 10.364 8.893 ( -0.791 2.021 -4.524) 5.017 9.132 ( 0.345 -1.861 -1.901) 2.682 9.803 ( 6.705 -2.944 -6.241) 9.622 10.282 ( 4.607 -5.970 -1.677) 7.726 11.796 ( 3.749 1.564 7.036) 8.124 12.295 ( 2.015 8.909 -4.458) 10.164 12.715 ( 3.642 -2.825 0.297) 4.619 13.085 ( -2.658 -13.783 -6.181) 15.338 13.719 ( -0.976 0.211 2.204) 2.419 14.262 ( -4.100 1.146 -0.616) 4.302 14.284 ( -1.665 -1.101 -3.769) 4.265 14.816 ( 3.507 -2.667 8.418) 9.501 ======================= Grid point 60 (33/156) ======================= q-point: ( 0.05 -0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -13.804 19.030 -10.735) 25.845 1.320 ( -18.201 18.283 -8.995) 27.322 1.984 ( -32.396 -3.899 -10.625) 34.316 2.272 ( 6.503 1.267 -5.057) 8.335 2.606 ( -16.230 -8.285 2.688) 18.419 2.855 ( -16.089 16.300 -3.476) 23.165 3.488 ( -1.312 4.798 17.660) 18.348 3.710 ( 5.302 1.108 0.991) 5.507 3.786 ( -5.991 -6.142 -0.967) 8.635 4.328 ( -8.699 6.931 -6.486) 12.876 4.902 ( 10.554 -1.383 7.641) 13.103 5.238 ( 12.726 -7.522 3.311) 15.149 5.418 ( 1.570 -3.762 1.723) 4.425 5.619 ( 2.270 -7.163 -5.868) 9.534 5.968 ( 5.113 3.437 -1.559) 6.355 6.140 ( -5.995 10.254 8.142) 14.400 6.530 ( -9.141 -11.723 2.009) 15.001 6.657 ( 6.136 3.995 5.166) 8.960 7.213 ( -5.835 -0.308 -12.924) 14.183 7.660 ( -8.324 12.566 1.933) 15.196 7.928 ( 3.126 12.003 3.391) 12.859 8.216 ( -2.377 -0.575 5.191) 5.738 8.655 ( 3.529 -1.965 -3.862) 5.588 8.752 ( -0.004 3.590 6.076) 7.057 8.778 ( 1.446 -4.005 -1.261) 4.441 9.178 ( 2.752 -4.457 3.576) 6.342 9.976 ( 13.165 -9.428 -22.596) 27.799 10.455 ( 5.850 -4.671 -3.577) 8.296 11.976 ( -1.494 1.338 3.836) 4.329 12.374 ( 3.049 6.971 -0.880) 7.659 12.753 ( -0.475 -8.199 -3.562) 8.952 13.136 ( 11.602 -4.907 -2.692) 12.882 13.653 ( -2.792 -1.538 -0.091) 3.189 14.064 ( -5.747 4.011 -0.732) 7.047 14.155 ( -1.493 -0.217 -1.584) 2.187 15.106 ( -0.699 -0.919 15.308) 15.351 ======================= Grid point 61 (34/156) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 10.575 21.086 0.000) 23.589 1.250 ( 28.440 15.477 -0.000) 32.378 1.871 ( -2.211 36.718 0.000) 36.785 2.228 ( -0.698 -6.417 -0.000) 6.454 2.639 ( -8.022 17.075 0.000) 18.866 2.828 ( 16.030 14.701 -0.000) 21.750 3.641 ( 4.822 -6.962 -0.000) 8.469 3.751 ( -0.677 -0.605 0.000) 0.908 3.778 ( -8.571 5.442 0.000) 10.153 4.288 ( 11.659 11.351 -0.000) 16.272 4.974 ( -1.616 -8.982 -0.000) 9.126 5.262 ( -7.966 -17.031 -0.000) 18.802 5.357 ( 1.081 -11.344 -0.000) 11.395 5.602 ( -13.440 7.521 0.000) 15.402 5.934 ( 2.703 -3.674 -0.000) 4.561 6.273 ( 15.492 8.564 -0.000) 17.702 6.492 ( -4.475 3.209 0.000) 5.507 6.783 ( -15.616 -8.429 0.000) 17.746 7.039 ( 8.796 9.683 0.000) 13.082 7.685 ( 14.840 11.366 -0.000) 18.692 7.950 ( 12.932 -7.520 -0.000) 14.959 8.277 ( -0.588 5.217 0.000) 5.250 8.598 ( -0.962 -6.473 -0.000) 6.544 8.710 ( -1.946 -2.801 -0.000) 3.410 8.931 ( -0.951 0.170 0.000) 0.966 9.199 ( -7.083 -4.237 0.000) 8.254 9.709 ( -6.024 -2.807 0.000) 6.646 10.420 ( -4.035 -5.161 -0.000) 6.551 12.015 ( 1.893 3.240 0.000) 3.753 12.364 ( 9.221 -4.756 -0.000) 10.375 12.717 ( -10.111 2.049 0.000) 10.316 13.112 ( -5.124 -12.340 -0.000) 13.362 13.652 ( -1.283 2.810 0.000) 3.089 14.058 ( 3.868 6.187 0.000) 7.297 14.139 ( -0.377 0.903 0.000) 0.979 15.264 ( -3.579 -4.201 -0.000) 5.519 ======================= Grid point 62 (35/156) ======================= q-point: ( 0.05 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.167 35.780 6.590) 36.382 1.763 ( 13.781 11.494 15.090) 23.446 2.268 ( 1.919 3.563 4.866) 6.329 2.442 ( 15.818 -1.729 4.089) 16.429 2.990 ( 13.095 1.148 -4.329) 13.840 3.288 ( -11.101 -1.084 -1.251) 11.224 3.477 ( 9.114 0.372 -0.713) 9.149 3.779 ( 7.727 -2.787 -7.005) 10.796 3.832 ( 11.694 0.823 0.180) 11.725 4.478 ( -6.402 0.683 -0.518) 6.459 4.830 ( -4.485 -4.669 -1.656) 6.682 4.963 ( -4.171 -6.629 -1.581) 7.990 5.109 ( -13.243 -1.544 9.308) 16.260 5.323 ( 0.693 -9.299 -12.906) 15.922 6.048 ( -4.970 -0.599 -2.988) 5.830 6.295 ( 8.940 1.727 -0.396) 9.114 6.539 ( -5.925 -9.202 11.484) 15.864 6.721 ( 12.938 10.943 -9.675) 19.513 7.411 ( 6.406 8.695 7.838) 13.344 8.051 ( 2.911 7.959 -6.127) 10.457 8.074 ( -4.733 13.208 -7.486) 15.902 8.337 ( 2.883 7.310 -9.455) 12.294 8.605 ( -3.259 -0.838 9.091) 9.693 8.646 ( -1.041 3.646 6.224) 7.288 8.841 ( 1.894 -5.473 -4.710) 7.465 9.029 ( 1.245 -4.598 0.347) 4.777 9.613 ( -6.034 -5.095 13.038) 15.244 10.200 ( -6.783 -8.491 0.997) 10.913 11.900 ( -12.059 6.444 -0.948) 13.706 12.165 ( 5.855 3.363 -1.896) 7.013 12.895 ( -5.011 -9.374 -0.115) 10.630 13.072 ( 5.846 -10.089 1.402) 11.744 13.522 ( -3.314 2.128 2.486) 4.657 14.168 ( 1.550 -1.290 2.099) 2.911 14.238 ( 3.639 2.066 0.793) 4.259 14.970 ( -5.728 -4.870 -8.142) 11.083 ======================= Grid point 63 (36/156) ======================= q-point: ( 0.05 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 4.404 32.427 10.925) 34.501 2.173 ( -0.922 13.518 0.085) 13.549 2.683 ( 6.485 6.171 11.955) 14.936 2.775 ( 0.247 -5.286 2.375) 5.800 3.080 ( -5.113 -3.618 1.670) 6.483 3.174 ( 3.219 0.534 -3.887) 5.075 3.445 ( -2.700 -14.063 -5.464) 15.326 3.816 ( -1.790 -2.613 -4.513) 5.513 3.960 ( -10.007 -10.070 3.315) 14.579 4.428 ( 1.530 2.210 -1.953) 3.323 4.724 ( -1.607 -4.367 5.773) 7.415 4.826 ( 5.227 -3.286 -11.089) 12.692 5.019 ( 4.769 -1.136 2.966) 5.730 5.247 ( 3.855 -7.037 -4.379) 9.141 5.807 ( -1.716 -12.341 -0.262) 12.463 6.383 ( -8.648 -12.797 6.831) 16.888 6.514 ( -1.517 15.394 -3.720) 15.910 7.224 ( 11.148 0.393 -5.672) 12.514 7.388 ( -4.389 17.424 -2.755) 18.179 7.956 ( 3.070 7.927 10.394) 13.427 8.029 ( -1.834 11.273 -5.717) 12.772 8.219 ( -0.435 14.630 -1.048) 14.674 8.504 ( -4.725 3.026 5.004) 7.519 8.611 ( -5.031 1.763 2.827) 6.034 8.918 ( 2.333 -2.516 -0.748) 3.512 9.160 ( 2.504 -0.815 -3.597) 4.457 9.696 ( 2.933 -3.987 1.588) 5.198 10.071 ( 1.266 -11.293 -0.495) 11.375 11.663 ( -1.218 2.551 5.135) 5.862 12.398 ( 6.856 4.089 -3.011) 8.532 12.699 ( -3.514 -4.398 -0.060) 5.630 13.013 ( -1.958 -9.695 -8.000) 12.721 13.611 ( 0.126 -1.787 7.053) 7.277 14.288 ( 0.972 -0.422 0.661) 1.248 14.355 ( 0.664 0.508 1.532) 1.745 14.638 ( -2.594 -6.832 -3.593) 8.143 ======================= Grid point 64 (37/156) ======================= q-point: ( 0.05 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -8.561 18.257 -2.957) 20.380 2.001 ( -10.432 10.862 -0.507) 15.069 2.341 ( -5.951 5.089 -11.933) 14.273 2.586 ( -12.481 2.488 -0.694) 12.746 2.819 ( -15.730 -0.138 -5.148) 16.551 3.223 ( 0.327 0.957 16.025) 16.057 3.417 ( -0.522 0.124 -5.208) 5.236 3.585 ( 3.528 1.038 0.886) 3.783 3.864 ( -8.187 -3.026 -1.917) 8.936 4.474 ( 5.312 -0.765 10.470) 11.766 4.651 ( 0.930 0.525 -6.915) 6.997 4.916 ( 6.632 -4.012 -1.757) 7.948 5.181 ( -1.625 -7.918 7.319) 10.904 5.491 ( 5.924 -12.067 -3.565) 13.907 6.048 ( 8.739 -10.965 2.833) 14.305 6.121 ( -4.113 12.081 -1.537) 12.854 6.408 ( -5.862 7.671 11.568) 15.067 6.800 ( -4.558 0.319 -11.256) 12.148 7.626 ( -9.776 7.220 -8.593) 14.884 7.801 ( 4.636 9.798 5.472) 12.143 8.102 ( -8.480 7.018 15.174) 18.746 8.197 ( -4.202 6.202 3.364) 8.212 8.569 ( 1.291 1.917 4.442) 5.007 8.646 ( 9.280 2.905 -5.390) 11.118 8.896 ( -1.797 1.010 -3.787) 4.312 9.055 ( -1.607 -5.100 -2.269) 5.809 9.886 ( 10.856 -7.550 -12.446) 18.160 10.238 ( 7.394 -10.261 -2.102) 12.821 11.885 ( 2.088 2.036 8.854) 9.322 12.390 ( -6.056 -7.565 0.008) 9.690 12.722 ( 5.271 2.318 -1.776) 6.026 12.951 ( 9.982 -3.827 -9.499) 14.301 13.652 ( -2.384 -2.560 1.181) 3.692 14.209 ( -2.184 -0.418 -3.433) 4.090 14.247 ( -2.335 2.295 -1.606) 3.647 14.803 ( 2.058 -3.847 11.538) 12.336 ======================= Grid point 66 (38/156) ======================= q-point: ( 0.05 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 9.856 15.100 0.000) 18.032 1.950 ( 10.947 18.084 0.000) 21.139 2.206 ( 6.726 0.477 -0.000) 6.743 2.412 ( 2.019 22.477 0.000) 22.567 2.894 ( 5.152 11.450 0.000) 12.556 3.241 ( 9.034 -2.685 -0.000) 9.424 3.578 ( 3.526 -8.278 -0.000) 8.997 3.649 ( -14.866 4.767 0.000) 15.611 3.819 ( 2.557 10.025 0.000) 10.346 4.646 ( 1.874 2.438 0.000) 3.075 4.787 ( 1.213 -10.559 -0.000) 10.629 4.821 ( -7.389 -11.660 -0.000) 13.804 5.077 ( -9.110 -8.503 0.000) 12.462 5.520 ( -8.626 5.416 0.000) 10.185 6.004 ( 10.979 3.490 -0.000) 11.521 6.178 ( -12.601 -16.245 -0.000) 20.560 6.545 ( -3.473 9.201 0.000) 9.835 6.880 ( 13.673 15.579 0.000) 20.728 7.272 ( 5.389 0.777 -0.000) 5.445 8.055 ( 15.811 -12.174 -0.000) 19.954 8.082 ( 10.583 0.133 -0.000) 10.583 8.457 ( 4.371 11.234 0.000) 12.054 8.474 ( 1.848 -7.683 -0.000) 7.902 8.697 ( -2.124 8.695 0.000) 8.951 8.882 ( 0.081 -3.383 -0.000) 3.384 9.012 ( -7.281 0.359 0.000) 7.290 9.545 ( -6.071 -1.025 0.000) 6.157 10.191 ( -8.405 -6.171 0.000) 10.427 12.124 ( 3.485 1.612 -0.000) 3.840 12.387 ( -10.878 7.795 0.000) 13.383 12.589 ( 7.205 -11.667 -0.000) 13.712 12.796 ( -4.637 -9.837 -0.000) 10.875 13.678 ( -3.302 5.034 0.000) 6.021 14.130 ( -1.410 -0.090 0.000) 1.413 14.217 ( 2.919 3.427 0.000) 4.502 15.061 ( -6.609 -6.763 -0.000) 9.456 ======================= Grid point 67 (39/156) ======================= q-point: ( 0.05 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 5.130 17.763 6.788) 19.696 2.179 ( 6.880 14.231 10.018) 18.714 2.505 ( 7.983 9.701 2.304) 12.773 2.693 ( 4.965 5.664 3.492) 8.302 3.050 ( -4.827 -3.499 -1.395) 6.122 3.109 ( -2.567 -3.399 2.352) 4.866 3.439 ( 2.921 -3.928 -12.030) 12.988 3.772 ( 3.240 -7.305 1.196) 8.080 4.002 ( -6.357 -4.122 -0.930) 7.633 4.406 ( 1.476 1.188 -1.403) 2.358 4.554 ( -11.034 -8.514 4.871) 14.763 4.738 ( 3.030 -3.494 0.384) 4.641 4.922 ( 2.480 -8.592 2.290) 9.231 5.295 ( -1.199 2.263 -6.134) 6.647 5.779 ( -5.251 -12.237 -9.695) 16.472 6.183 ( -8.823 -5.329 8.775) 13.537 6.782 ( 11.982 13.841 -2.958) 18.544 7.151 ( 11.828 6.421 -10.947) 17.348 7.697 ( 5.075 10.751 14.179) 18.504 8.013 ( -6.581 1.717 -9.570) 11.741 8.232 ( -3.236 2.021 -1.220) 4.006 8.476 ( -6.671 7.949 8.050) 13.133 8.635 ( 2.129 8.422 -4.057) 9.588 8.749 ( 4.653 -4.383 -0.642) 6.425 8.856 ( -0.763 13.104 0.634) 13.141 9.024 ( 6.805 -5.389 1.762) 8.857 9.500 ( 1.325 -2.973 4.399) 5.472 9.888 ( -5.461 -11.628 -0.134) 12.847 11.827 ( -9.662 7.886 -0.099) 12.472 12.335 ( 7.682 -1.237 -1.461) 7.917 12.617 ( -4.982 -8.395 -0.046) 9.762 12.940 ( 3.117 -12.054 -1.082) 12.497 13.550 ( -2.078 7.350 3.375) 8.351 14.175 ( 2.917 -2.446 2.148) 4.371 14.307 ( 1.444 0.433 0.506) 1.590 14.716 ( -7.837 -7.580 -4.940) 11.970 ======================= Grid point 68 (40/156) ======================= q-point: ( 0.05 -0.65 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -3.542 11.063 5.041) 12.663 2.365 ( -4.645 10.584 -0.944) 11.597 2.692 ( -3.132 6.242 10.711) 12.787 2.891 ( 1.570 2.706 -14.032) 14.377 3.025 ( -5.207 9.833 12.629) 16.831 3.151 ( 6.040 -10.754 -5.115) 13.352 3.254 ( -5.906 3.517 -4.968) 8.481 3.554 ( -6.428 -6.320 4.182) 9.937 3.751 ( 2.872 -6.156 3.668) 7.720 4.350 ( -4.260 -0.965 8.633) 9.675 4.672 ( 5.552 -10.802 -10.224) 15.875 4.847 ( 5.441 -3.147 -4.840) 7.933 5.185 ( -3.767 2.186 -8.801) 9.819 5.193 ( 3.337 0.382 5.961) 6.843 5.561 ( 7.909 -14.755 1.010) 16.771 6.106 ( -0.025 -4.973 8.760) 10.073 6.736 ( -4.911 14.213 -6.164) 16.252 7.186 ( -6.010 -0.297 -14.133) 15.361 7.768 ( 5.096 7.843 1.801) 9.525 8.067 ( -5.317 8.619 10.020) 14.247 8.127 ( -9.337 10.855 8.258) 16.529 8.218 ( -9.345 -1.595 7.969) 12.385 8.672 ( 6.168 9.078 -5.574) 12.310 8.752 ( 0.710 12.456 -4.423) 13.237 8.864 ( 0.156 -4.352 2.366) 4.956 9.144 ( -2.053 -1.325 -4.471) 5.095 9.742 ( 9.538 -4.882 -4.991) 11.820 9.878 ( 5.174 -15.055 0.452) 15.926 11.740 ( 1.201 4.585 6.852) 8.331 12.390 ( -6.643 -5.472 -0.365) 8.614 12.599 ( 5.345 -5.751 -0.360) 7.859 12.918 ( 5.115 -4.994 -7.870) 10.632 13.638 ( 0.982 4.908 2.636) 5.657 14.287 ( -0.278 -1.745 -3.500) 3.921 14.340 ( -2.020 0.459 -1.259) 2.424 14.483 ( 2.168 -7.196 6.011) 9.623 ======================= Grid point 69 (41/156) ======================= q-point: ( 0.05 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -32.214 0.783 -9.863) 33.699 1.966 ( -12.087 9.181 -6.431) 16.484 2.370 ( 4.291 12.337 -3.569) 13.541 2.623 ( -5.969 3.642 -15.511) 17.014 2.850 ( -2.716 16.629 10.418) 19.809 3.261 ( 5.484 -4.223 1.414) 7.064 3.449 ( 2.124 3.964 3.771) 5.869 3.654 ( 1.565 2.309 2.165) 3.531 3.865 ( -2.793 13.768 -2.075) 14.201 4.498 ( 4.458 -7.494 -0.027) 8.720 4.770 ( 6.929 2.831 4.097) 8.533 4.876 ( -5.905 -5.412 8.229) 11.484 5.075 ( 4.291 1.587 6.550) 7.990 5.323 ( 9.047 -18.518 -9.188) 22.565 5.995 ( 3.570 -6.515 3.376) 8.160 6.285 ( -2.864 9.698 0.996) 10.161 6.556 ( -5.610 16.050 6.256) 18.117 6.765 ( 7.067 -5.581 -12.673) 15.546 7.522 ( -13.919 6.034 -3.104) 15.485 7.911 ( -4.680 -5.626 7.067) 10.173 7.973 ( -10.086 6.614 5.819) 13.392 8.102 ( -9.264 3.377 14.672) 17.677 8.693 ( -0.980 2.287 -1.747) 3.040 8.822 ( -2.827 -4.434 -8.853) 10.297 8.829 ( 2.491 -0.468 -4.789) 5.418 9.007 ( 4.923 2.564 1.640) 5.787 9.872 ( 7.129 -11.420 -13.430) 19.016 10.226 ( 10.081 -8.061 -2.000) 13.061 11.871 ( -2.495 -7.210 2.322) 7.975 12.124 ( -5.342 2.498 2.360) 6.352 12.896 ( 9.844 -3.908 -0.215) 10.594 13.099 ( 6.827 -1.252 -1.230) 7.049 13.594 ( -0.497 0.494 -5.415) 5.460 14.213 ( 1.122 2.070 -2.387) 3.352 14.262 ( -2.014 3.321 -1.968) 4.354 14.775 ( 2.645 -3.028 12.388) 13.024 ======================= Grid point 71 (42/156) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 8.848 7.983 -0.000) 11.917 2.359 ( 2.457 12.519 0.000) 12.758 2.479 ( 10.436 6.865 -0.000) 12.492 2.837 ( 4.096 14.524 0.000) 15.090 2.945 ( -3.411 -10.105 -0.000) 10.665 3.419 ( -14.735 3.026 0.000) 15.043 3.446 ( 11.527 9.534 -0.000) 14.959 3.470 ( -0.058 -7.150 -0.000) 7.150 4.011 ( 0.731 -0.370 -0.000) 0.819 4.395 ( -7.097 -15.263 -0.000) 16.832 4.560 ( -1.458 -16.134 -0.000) 16.200 4.692 ( 1.288 7.180 0.000) 7.294 4.764 ( -12.029 1.160 0.000) 12.085 5.463 ( -5.772 2.187 0.000) 6.173 5.693 ( -6.844 -12.580 -0.000) 14.321 6.322 ( -7.035 8.300 0.000) 10.880 6.730 ( 14.036 7.412 -0.000) 15.873 7.399 ( 10.132 12.223 0.000) 15.876 7.400 ( 9.317 1.774 -0.000) 9.484 8.088 ( 13.622 -13.209 -0.000) 18.975 8.091 ( 2.066 -8.034 -0.000) 8.296 8.379 ( 1.341 -4.337 -0.000) 4.539 8.723 ( -1.243 -4.885 -0.000) 5.041 8.818 ( 4.785 15.313 0.000) 16.043 8.956 ( -4.082 4.880 0.000) 6.362 9.023 ( 6.897 8.457 0.000) 10.913 9.452 ( -3.356 0.018 0.000) 3.356 9.881 ( -12.001 -5.267 0.000) 13.105 12.131 ( 2.404 -8.334 -0.000) 8.674 12.268 ( -15.986 8.673 0.000) 18.188 12.543 ( 10.551 -11.885 -0.000) 15.893 12.628 ( -2.686 0.713 0.000) 2.779 13.751 ( -1.911 8.786 0.000) 8.992 14.087 ( -1.292 -1.777 -0.000) 2.197 14.299 ( 0.903 1.643 0.000) 1.875 14.765 ( -8.321 -8.818 -0.000) 12.124 ======================= Grid point 72 (43/156) ======================= q-point: ( 0.05 0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 1.208 5.848 6.217) 8.620 2.563 ( 3.875 6.932 -1.443) 8.072 2.618 ( -4.555 -4.491 4.265) 7.688 2.782 ( 3.035 -5.268 -0.175) 6.083 3.078 ( 2.153 15.431 2.149) 15.728 3.135 ( 7.107 6.083 3.055) 9.841 3.456 ( 0.566 -2.962 1.279) 3.276 3.542 ( -11.579 -6.946 2.345) 13.705 3.792 ( -7.232 3.143 -9.371) 12.247 4.211 ( -3.447 -4.182 4.100) 6.796 4.463 ( 5.064 -8.945 -4.258) 11.126 4.715 ( 3.021 -11.357 4.207) 12.482 4.983 ( 8.397 6.000 3.261) 10.823 5.245 ( -3.792 -5.630 -1.852) 7.036 5.645 ( 0.204 4.188 -9.140) 10.056 5.885 ( -5.845 -6.667 4.658) 10.015 7.174 ( 2.701 9.987 -12.310) 16.080 7.377 ( 5.054 -1.327 -11.341) 12.487 7.894 ( -2.534 1.400 5.963) 6.629 7.995 ( -0.832 5.860 7.611) 9.642 8.133 ( -5.750 3.846 4.849) 8.448 8.492 ( -2.259 3.103 6.144) 7.245 8.690 ( -5.606 -0.588 1.828) 5.926 8.887 ( 3.286 8.590 -5.558) 10.746 9.071 ( 4.783 0.170 3.181) 5.747 9.126 ( 1.097 11.397 -2.305) 11.680 9.490 ( 4.915 -8.150 -1.779) 9.682 9.573 ( -0.654 -12.072 0.278) 12.093 11.845 ( -5.633 9.537 1.290) 11.151 12.279 ( 3.554 -12.960 -0.778) 13.461 12.515 ( -2.193 3.166 0.158) 3.855 12.773 ( 2.902 -10.420 -1.357) 10.901 13.741 ( 1.473 12.212 1.761) 12.426 14.158 ( 3.071 -7.272 1.710) 8.076 14.333 ( 1.267 0.552 -0.307) 1.415 14.431 ( -6.221 -5.590 -2.589) 8.756 ======================= Grid point 73 (44/156) ======================= q-point: ( 0.05 -0.65 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -14.216 5.112 -1.137) 15.149 2.308 ( -5.152 4.266 3.331) 7.472 2.751 ( -15.646 5.639 -9.866) 19.337 2.789 ( -2.032 -0.105 8.951) 9.180 3.136 ( 10.410 -3.100 1.465) 10.960 3.189 ( -0.492 0.711 -2.426) 2.576 3.288 ( 1.521 7.024 -16.560) 18.052 3.508 ( 2.977 4.238 8.481) 9.938 3.888 ( 11.379 4.630 12.168) 17.291 4.302 ( 0.178 -3.575 1.934) 4.069 4.507 ( 0.977 -7.220 4.232) 8.426 4.852 ( 4.213 -5.202 0.672) 6.727 5.101 ( -5.332 -7.081 -0.886) 8.908 5.209 ( -0.171 7.369 -11.603) 13.746 5.579 ( 14.822 -8.042 1.934) 16.974 6.240 ( 11.280 4.306 3.062) 12.456 6.825 ( -8.191 3.029 -3.842) 9.541 7.064 ( -5.191 3.248 -10.374) 12.046 7.692 ( -11.737 -5.348 4.695) 13.726 8.073 ( -3.095 0.757 6.902) 7.602 8.100 ( -12.224 10.708 0.188) 16.252 8.163 ( -13.425 12.198 16.039) 24.213 8.690 ( 1.377 -7.114 -0.979) 7.312 8.882 ( 2.862 2.641 -6.373) 7.468 9.006 ( -6.744 -3.577 -6.111) 9.779 9.044 ( 1.036 6.336 -3.036) 7.102 9.686 ( 5.709 -10.740 -0.347) 12.168 9.898 ( 13.268 -4.999 -2.509) 14.399 11.801 ( -1.806 0.620 1.451) 2.398 12.251 ( -4.317 5.258 2.427) 7.223 12.619 ( 9.281 -5.897 -0.132) 10.997 12.898 ( 4.363 -7.135 0.895) 8.411 13.748 ( -0.269 2.087 -6.695) 7.018 14.246 ( 1.186 -0.558 0.254) 1.335 14.367 ( 0.995 2.254 -2.519) 3.524 14.448 ( 4.703 -2.664 7.006) 8.848 ======================= Grid point 75 (45/156) ======================= q-point: ( 0.05 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 37.560 2.379 5.204) 37.993 1.931 ( 2.130 -2.063 -15.317) 15.601 2.044 ( 9.172 12.805 -1.200) 15.797 2.933 ( 2.348 -3.244 -2.070) 4.508 3.135 ( -15.369 20.474 -2.771) 25.750 3.381 ( -1.546 -2.624 -1.085) 3.233 3.458 ( -3.888 12.485 4.057) 13.691 3.815 ( -4.363 11.027 11.457) 16.489 4.028 ( -2.944 3.288 -3.879) 5.876 4.334 ( 3.602 -15.143 4.154) 16.111 4.642 ( -2.310 -3.129 -3.042) 4.938 4.901 ( -4.479 -1.922 0.436) 4.893 5.152 ( -7.858 -5.823 -11.168) 14.845 5.705 ( 3.496 5.264 9.353) 11.288 5.940 ( 3.485 5.630 -0.381) 6.632 6.178 ( -10.356 -6.950 2.330) 12.687 6.709 ( 5.874 10.183 9.714) 15.250 6.848 ( -5.583 8.294 -1.134) 10.062 7.285 ( 6.775 -5.961 -12.052) 15.056 7.605 ( 5.634 -5.604 2.016) 8.198 7.820 ( 14.915 -5.987 -4.508) 16.692 8.227 ( 3.523 -10.465 0.999) 11.088 8.478 ( 5.225 6.469 4.213) 9.322 8.772 ( 3.779 -0.609 -2.533) 4.589 8.887 ( -4.431 6.163 6.503) 9.995 9.121 ( -3.074 0.712 -0.051) 3.155 9.675 ( -2.706 -3.130 -6.808) 7.967 10.267 ( -5.895 -2.109 -0.273) 6.267 11.922 ( 6.718 -5.771 6.588) 11.037 12.203 ( 5.727 -1.934 -5.452) 8.140 12.720 ( -2.838 -4.552 0.308) 5.373 12.992 ( -16.390 5.211 -3.718) 17.596 13.749 ( 2.311 2.199 1.085) 3.370 14.212 ( -1.541 1.954 -2.869) 3.798 14.259 ( 0.592 3.658 -0.368) 3.723 14.958 ( -3.485 -7.315 6.193) 10.198 ======================= Grid point 76 (46/156) ======================= q-point: ( 0.05 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 8.183 8.075 -0.000) 11.496 2.469 ( -0.526 -9.969 -0.000) 9.983 2.697 ( -5.007 7.028 0.000) 8.630 2.709 ( 3.118 0.149 -0.000) 3.122 3.180 ( 6.407 8.400 0.000) 10.564 3.288 ( -4.681 6.019 0.000) 7.625 3.317 ( -1.290 -7.411 -0.000) 7.522 3.506 ( -9.018 -11.950 -0.000) 14.971 4.088 ( 3.163 -9.937 -0.000) 10.428 4.148 ( 8.665 13.285 0.000) 15.861 4.185 ( -5.458 -12.770 -0.000) 13.888 4.659 ( -10.756 7.760 0.000) 13.263 4.993 ( 6.205 11.561 0.000) 13.120 5.274 ( -8.094 -7.077 0.000) 10.751 5.564 ( 6.873 -2.045 -0.000) 7.170 6.070 ( -16.375 -2.693 0.000) 16.594 7.224 ( 16.372 7.414 -0.000) 17.973 7.607 ( -2.149 -0.284 0.000) 2.168 7.691 ( 10.081 6.739 -0.000) 12.126 7.931 ( -1.683 -8.606 -0.000) 8.769 8.076 ( 11.627 -12.982 -0.000) 17.428 8.419 ( -3.571 9.941 0.000) 10.563 8.607 ( 9.370 -13.516 -0.000) 16.446 8.996 ( -4.457 7.286 0.000) 8.541 9.185 ( 3.304 -5.742 -0.000) 6.625 9.191 ( 2.871 14.621 0.000) 14.901 9.370 ( -2.365 -3.622 -0.000) 4.326 9.600 ( -12.540 3.502 0.000) 13.020 11.960 ( 2.812 -12.143 -0.000) 12.464 12.185 ( -8.540 8.670 0.000) 12.170 12.524 ( 5.154 -5.825 -0.000) 7.778 12.668 ( -2.716 7.225 0.000) 7.719 13.950 ( 0.895 12.187 0.000) 12.219 13.982 ( -2.049 -7.449 -0.000) 7.726 14.332 ( 0.759 1.108 0.000) 1.343 14.463 ( -6.062 -6.116 -0.000) 8.612 ======================= Grid point 77 (47/156) ======================= q-point: ( 0.05 0.15 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -7.001 -5.257 5.725) 10.461 2.489 ( -0.355 9.389 1.991) 9.604 2.640 ( -0.522 -7.533 -2.687) 8.015 2.765 ( 5.416 -1.238 2.579) 6.125 3.163 ( -8.877 -6.134 -1.050) 10.841 3.328 ( 0.718 5.149 1.597) 5.439 3.354 ( 2.263 -5.174 5.013) 7.552 3.561 ( 9.345 9.177 5.602) 14.245 3.871 ( -6.546 13.398 -14.725) 20.956 4.080 ( 5.229 -11.152 -3.798) 12.889 4.402 ( -1.656 7.720 12.022) 14.383 4.651 ( 6.697 -6.945 -0.847) 9.685 5.010 ( -3.885 -9.545 2.021) 10.502 5.271 ( 9.090 5.702 -0.679) 10.752 5.522 ( -8.537 0.366 -4.023) 9.444 6.065 ( 16.467 4.103 -0.859) 16.992 7.129 ( -13.457 -4.083 -8.122) 16.240 7.339 ( -2.828 -3.608 -14.730) 15.427 7.860 ( -7.437 2.344 1.601) 7.960 7.962 ( -0.875 1.451 8.350) 8.520 8.249 ( -6.537 11.064 14.611) 19.458 8.435 ( 3.530 -9.966 2.011) 10.763 8.612 ( -11.187 12.203 0.190) 16.555 8.960 ( 3.315 -4.647 -4.028) 6.986 9.142 ( -5.305 -9.894 -4.057) 11.937 9.195 ( -3.423 2.133 -0.538) 4.069 9.372 ( 4.931 0.993 1.501) 5.249 9.604 ( 12.765 -2.474 -0.154) 13.004 11.948 ( -3.749 8.888 -1.279) 9.731 12.198 ( 9.430 -6.040 1.289) 11.273 12.524 ( -4.777 4.681 -0.021) 6.688 12.677 ( 3.202 -5.827 0.999) 6.723 13.895 ( -3.307 -3.320 -3.326) 5.746 14.054 ( 3.912 -1.054 4.988) 6.426 14.331 ( -0.337 -0.896 -0.032) 0.957 14.440 ( 5.566 5.473 -2.480) 8.191 ======================= Grid point 78 (48/156) ======================= q-point: ( 0.05 0.35 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -28.682 4.717 -10.012) 30.744 2.138 ( -13.731 0.618 4.661) 14.514 2.614 ( -4.051 -7.663 10.505) 13.620 2.813 ( 4.210 4.620 -1.427) 6.411 3.185 ( -3.882 3.967 -4.318) 7.032 3.293 ( 11.820 -2.596 -0.349) 12.107 3.377 ( 5.526 -5.945 -10.732) 13.456 3.748 ( 3.374 4.343 1.332) 5.659 3.997 ( 11.042 -11.939 1.436) 16.326 4.297 ( -4.920 8.953 9.325) 13.832 4.620 ( 4.443 7.465 9.656) 12.988 4.803 ( 7.651 -12.170 -3.372) 14.766 4.979 ( 1.348 6.885 5.060) 8.650 5.388 ( 5.265 4.104 -14.432) 15.901 5.796 ( 15.012 1.059 1.070) 15.087 6.476 ( -15.291 -4.669 0.664) 16.002 6.531 ( 9.857 -6.193 -8.509) 14.420 7.104 ( 1.390 -3.966 4.857) 6.422 7.369 ( -16.859 7.971 0.174) 18.649 7.885 ( -13.472 -1.866 8.497) 16.037 8.077 ( -12.752 6.655 4.101) 14.958 8.126 ( -8.208 10.222 2.985) 13.445 8.657 ( -7.087 -10.770 -10.060) 16.353 8.670 ( 3.159 -2.931 -3.772) 5.727 8.938 ( -0.763 0.072 -2.340) 2.462 9.112 ( 0.970 -0.723 0.957) 1.543 9.681 ( 4.812 -1.312 3.189) 5.920 10.079 ( 10.971 -0.539 -1.164) 11.046 11.770 ( -1.950 1.822 -6.394) 6.929 12.322 ( -5.847 8.953 5.395) 11.978 12.700 ( 4.446 -4.109 -0.223) 6.058 12.880 ( 11.296 -5.167 6.278) 13.918 13.733 ( 0.587 -1.676 -6.276) 6.522 14.272 ( 1.726 -0.480 2.659) 3.206 14.352 ( -0.684 -2.848 1.763) 3.419 14.628 ( 6.588 5.879 -2.635) 9.215 ======================= Grid point 80 (49/156) ======================= q-point: ( 0.05 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 10.092 -1.319 -7.422) 12.597 2.105 ( 26.717 -2.527 6.716) 27.664 2.471 ( 8.488 9.538 -5.152) 13.768 2.818 ( 0.163 -6.423 -0.767) 6.471 3.189 ( -11.968 10.783 -3.076) 16.400 3.278 ( -2.478 -2.365 2.508) 4.245 3.567 ( -1.056 0.515 4.836) 4.977 3.842 ( -5.320 -11.331 4.444) 13.283 3.862 ( -10.318 10.389 -4.521) 15.324 4.215 ( 1.828 -6.407 -0.274) 6.668 4.457 ( -3.299 -8.271 -8.462) 12.284 4.835 ( -2.141 -0.595 -1.014) 2.443 4.937 ( -4.938 7.479 1.530) 9.092 5.616 ( -11.114 -2.593 8.518) 14.241 5.776 ( -15.163 -0.756 -0.399) 15.188 6.477 ( 19.309 11.833 0.397) 22.650 6.651 ( -12.711 -5.420 3.860) 14.347 7.109 ( 6.651 11.285 5.611) 14.250 7.373 ( 14.797 -8.394 0.528) 17.020 7.730 ( 11.695 2.028 -8.513) 14.607 7.893 ( 11.701 -12.382 -10.133) 19.822 8.095 ( 6.493 -11.752 -2.786) 13.713 8.727 ( -1.338 -1.349 2.191) 2.900 8.829 ( 8.621 9.581 7.280) 14.802 8.993 ( 1.158 3.624 3.643) 5.267 9.120 ( -1.686 4.194 0.976) 4.624 9.604 ( -4.970 3.395 -4.303) 7.399 10.100 ( -11.510 2.591 0.909) 11.833 11.893 ( 0.779 -5.092 6.979) 8.674 12.205 ( 7.548 -9.476 -7.120) 14.052 12.709 ( -4.068 5.150 0.724) 6.603 12.789 ( -12.380 6.897 -3.722) 14.653 13.837 ( 1.169 3.996 4.862) 6.401 14.193 ( -3.308 1.321 -4.921) 6.075 14.329 ( 0.461 2.231 -0.564) 2.347 14.692 ( -6.408 -9.723 3.257) 12.092 ======================= Grid point 81 (50/156) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -3.532 -6.719 -0.000) 7.591 2.545 ( -2.746 -10.482 -0.000) 10.836 2.606 ( 6.756 5.293 -0.000) 8.582 2.780 ( -5.223 2.146 0.000) 5.647 3.059 ( -1.378 -13.868 -0.000) 13.936 3.109 ( -7.790 -2.860 0.000) 8.298 3.437 ( 3.534 8.456 0.000) 9.165 3.516 ( 9.230 6.912 -0.000) 11.532 3.941 ( -1.219 -4.217 -0.000) 4.390 4.097 ( 13.779 -6.101 -0.000) 15.069 4.592 ( 3.382 17.896 0.000) 18.213 4.604 ( -14.290 12.254 0.000) 18.825 4.953 ( -9.250 -9.237 0.000) 13.072 5.266 ( 4.004 5.093 0.000) 6.478 5.779 ( 15.354 0.164 -0.000) 15.355 5.795 ( -9.132 3.683 0.000) 9.846 7.357 ( -12.716 -9.339 0.000) 15.777 7.511 ( 5.514 -2.864 -0.000) 6.213 7.712 ( -5.345 -6.708 -0.000) 8.577 7.953 ( 8.831 1.534 -0.000) 8.964 8.106 ( 9.515 -2.460 -0.000) 9.828 8.423 ( -1.724 -3.304 -0.000) 3.727 8.670 ( 6.978 0.330 -0.000) 6.986 8.960 ( -1.955 -13.999 -0.000) 14.135 9.015 ( -7.509 6.012 0.000) 9.619 9.151 ( -1.738 -11.691 -0.000) 11.819 9.527 ( -7.641 5.194 0.000) 9.239 9.553 ( 3.226 14.541 0.000) 14.895 11.833 ( 6.710 -10.123 -0.000) 12.144 12.286 ( -4.090 13.125 0.000) 13.748 12.513 ( 2.738 -3.091 -0.000) 4.130 12.786 ( -3.610 11.558 0.000) 12.109 13.725 ( -1.908 -12.940 -0.000) 13.080 14.141 ( -2.851 6.835 0.000) 7.406 14.337 ( -1.700 -0.881 0.000) 1.915 14.456 ( 6.939 6.307 -0.000) 9.377 ======================= Grid point 82 (51/156) ======================= q-point: ( 0.05 0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -7.495 -6.140 12.182) 15.566 2.384 ( -2.832 -13.606 1.652) 13.996 2.444 ( -11.116 -3.358 -1.816) 11.753 2.860 ( -5.634 -10.854 1.829) 12.365 2.984 ( 4.623 7.970 3.761) 9.951 3.302 ( -6.783 -5.740 -8.114) 12.033 3.409 ( 14.488 -5.484 -2.351) 15.669 3.584 ( -5.067 0.322 5.344) 7.371 3.937 ( -0.391 4.853 -7.070) 8.584 4.379 ( 8.663 13.286 0.320) 15.864 4.596 ( 1.350 -3.249 -2.322) 4.215 4.654 ( -0.399 10.596 3.098) 11.046 4.863 ( 8.531 -1.214 7.754) 11.592 5.417 ( 3.967 -3.307 -4.918) 7.132 5.655 ( 9.956 11.262 -3.251) 15.379 6.361 ( 7.161 -5.425 2.408) 9.301 6.717 ( -12.609 -4.836 -1.387) 13.575 7.080 ( -9.993 -8.725 -14.871) 19.928 7.699 ( -10.294 -4.162 14.520) 18.279 7.933 ( -6.993 6.514 -5.755) 11.155 8.285 ( -5.563 7.140 8.308) 12.286 8.417 ( -3.455 5.355 3.919) 7.481 8.653 ( -0.951 2.378 -5.761) 6.304 8.757 ( -6.166 -14.036 -6.175) 16.528 8.955 ( 2.358 -2.120 -0.895) 3.295 9.033 ( -4.436 -7.910 0.922) 9.116 9.498 ( 4.815 1.525 5.070) 7.157 9.889 ( 11.996 5.214 0.587) 13.093 12.029 ( -1.189 4.719 -7.998) 9.362 12.332 ( 12.341 -6.797 3.781) 14.588 12.567 ( -3.478 11.167 1.957) 11.859 12.654 ( -1.244 1.030 3.573) 3.921 13.731 ( 0.905 -7.062 -1.954) 7.383 14.122 ( 1.764 0.632 3.611) 4.068 14.304 ( -0.844 -1.553 0.502) 1.837 14.721 ( 7.932 8.068 -4.571) 12.202 ======================= Grid point 84 (52/156) ======================= q-point: ( 0.05 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 29.476 -1.983 12.093) 31.922 1.858 ( 9.583 -3.311 -4.733) 11.189 2.686 ( -1.882 1.253 -6.501) 6.883 2.763 ( -2.962 -6.989 -3.750) 8.467 2.952 ( 4.114 -11.858 6.556) 14.161 3.368 ( -0.732 -0.672 3.555) 3.691 3.621 ( -3.524 -12.744 1.460) 13.302 3.776 ( -7.464 3.535 2.838) 8.733 4.029 ( 3.646 -6.386 -5.043) 8.917 4.397 ( -6.455 10.177 2.058) 12.226 4.594 ( -3.476 -3.207 -10.705) 11.703 4.835 ( -1.958 -6.427 -8.927) 11.173 5.257 ( -7.464 9.384 -0.798) 12.017 5.362 ( -6.651 -3.425 17.247) 18.800 5.944 ( -0.279 -3.310 -0.572) 3.370 6.288 ( 11.438 3.223 4.378) 12.665 6.710 ( 1.053 -12.489 -3.863) 13.115 7.039 ( -11.565 5.345 8.177) 15.138 7.285 ( 5.346 4.282 -2.457) 7.277 7.568 ( 14.249 2.154 -4.718) 15.164 7.724 ( 5.673 -7.813 -17.537) 20.019 7.899 ( 4.767 -3.999 1.215) 6.339 8.620 ( 6.146 2.481 1.390) 6.772 8.751 ( 3.788 1.072 -0.269) 3.946 8.969 ( -1.527 2.822 7.928) 8.552 9.149 ( -2.535 0.319 2.612) 3.654 9.866 ( -3.038 10.687 1.144) 11.169 10.330 ( -7.251 7.330 4.252) 11.153 11.751 ( 1.412 3.011 2.386) 4.093 12.099 ( -0.227 -6.680 -4.419) 8.012 12.836 ( 2.037 8.672 0.342) 8.914 13.193 ( -11.607 2.070 -2.132) 11.981 13.732 ( 2.310 -0.594 5.145) 5.671 14.279 ( 0.360 -1.598 -0.631) 1.755 14.354 ( 0.855 -1.185 1.982) 2.463 14.637 ( -4.256 -4.298 -6.043) 8.550 ======================= Grid point 85 (53/156) ======================= q-point: ( 0.05 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 12.360 2.477 -3.154) 12.995 2.251 ( 5.269 -9.333 -0.403) 10.726 2.621 ( 2.623 -7.219 -7.716) 10.887 2.921 ( 16.883 -2.708 7.579) 18.703 3.116 ( -13.438 9.764 -0.795) 16.630 3.225 ( -0.393 -3.240 2.504) 4.113 3.396 ( -4.426 -7.120 -3.168) 8.962 3.555 ( -1.117 -11.098 3.325) 11.639 3.674 ( -9.123 -2.005 -2.570) 9.688 4.228 ( -2.614 -3.216 -6.159) 7.423 4.438 ( 3.548 15.316 -2.782) 15.966 4.848 ( 2.303 3.540 0.452) 4.247 5.161 ( -0.930 12.164 4.465) 12.991 5.322 ( -5.340 -6.277 0.177) 8.243 5.590 ( -12.864 6.184 2.973) 14.580 6.217 ( -11.679 -9.586 0.360) 15.114 6.938 ( 11.153 0.123 8.734) 14.166 7.297 ( 6.111 0.677 13.262) 14.618 7.633 ( 13.852 4.077 -1.815) 14.553 7.817 ( 11.058 -16.054 -18.025) 26.550 7.930 ( 1.497 0.144 -9.104) 9.227 8.077 ( 14.492 -12.076 -2.807) 19.072 8.698 ( -2.018 5.300 0.140) 5.673 8.991 ( -2.844 -3.054 5.013) 6.523 9.076 ( 0.199 0.303 2.193) 2.223 9.141 ( 4.436 -3.687 5.525) 7.988 9.657 ( -6.325 15.157 -2.162) 16.566 9.945 ( -13.554 6.134 1.900) 14.999 11.773 ( -1.408 -6.224 -1.418) 6.537 12.215 ( 7.412 -2.528 -1.359) 7.949 12.621 ( -9.596 6.302 0.127) 11.481 12.886 ( -1.991 9.996 -0.437) 10.201 13.872 ( -3.775 -3.553 6.655) 8.436 14.189 ( 0.395 5.358 -5.652) 7.798 14.355 ( -0.926 0.857 -1.562) 2.008 14.424 ( -3.558 -5.572 1.900) 6.879 ======================= Grid point 86 (54/156) ======================= q-point: ( 0.05 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -10.456 -6.524 0.000) 12.324 2.078 ( -2.217 -28.919 -0.000) 29.004 2.490 ( -6.388 -11.848 -0.000) 13.461 2.667 ( -7.232 -2.981 0.000) 7.822 3.073 ( 10.406 -1.186 -0.000) 10.473 3.077 ( -2.939 7.877 0.000) 8.407 3.647 ( -6.116 3.956 0.000) 7.284 3.650 ( 0.415 9.632 0.000) 9.641 4.038 ( 4.221 4.059 -0.000) 5.856 4.386 ( 20.781 0.647 -0.000) 20.791 4.512 ( -10.604 -2.572 0.000) 10.912 4.755 ( -1.007 9.147 0.000) 9.202 4.895 ( -1.931 11.779 0.000) 11.936 5.354 ( 2.712 1.055 -0.000) 2.910 5.934 ( 0.441 17.266 0.000) 17.272 6.038 ( 11.368 -2.518 -0.000) 11.644 6.820 ( -16.951 -14.821 0.000) 22.517 7.311 ( -6.218 -14.113 -0.000) 15.422 7.499 ( -6.307 -3.568 0.000) 7.246 8.151 ( 6.657 2.275 -0.000) 7.035 8.270 ( 8.255 -0.341 -0.000) 8.262 8.314 ( 4.621 -10.786 -0.000) 11.734 8.674 ( -2.754 -8.072 -0.000) 8.529 8.801 ( -0.498 5.081 0.000) 5.105 8.826 ( -3.189 -14.481 -0.000) 14.828 8.992 ( -6.425 4.608 0.000) 7.906 9.464 ( -3.983 0.979 0.000) 4.101 9.888 ( 5.256 11.817 0.000) 12.933 11.827 ( 11.070 -8.706 -0.000) 14.083 12.348 ( -7.536 1.936 0.000) 7.781 12.618 ( 4.838 8.200 0.000) 9.520 12.951 ( -5.699 13.971 0.000) 15.088 13.518 ( 3.413 -8.932 -0.000) 9.562 14.154 ( -2.923 2.331 0.000) 3.739 14.303 ( -1.590 -0.506 0.000) 1.669 14.763 ( 8.454 8.134 -0.000) 11.732 ======================= Grid point 87 (55/156) ======================= q-point: ( 0.05 0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -10.775 -14.483 13.336) 22.443 1.972 ( -11.411 -16.696 2.149) 20.337 2.212 ( -7.059 1.933 1.737) 7.522 2.477 ( -1.679 -20.217 6.715) 21.369 2.854 ( -4.350 -13.173 -4.146) 14.479 3.269 ( -5.617 3.214 3.298) 7.263 3.539 ( 3.655 -2.293 -9.827) 10.733 3.593 ( 0.846 3.185 -0.433) 3.324 3.835 ( 0.936 -9.189 1.274) 9.324 4.592 ( -0.784 -3.582 -1.973) 4.164 4.665 ( 0.288 11.888 -8.907) 14.858 4.881 ( 4.847 9.878 2.626) 11.312 5.209 ( 9.592 9.913 8.148) 16.021 5.449 ( 9.929 -5.992 -4.351) 12.387 6.046 ( -6.792 -2.036 3.116) 7.745 6.138 ( 6.862 10.509 -3.244) 12.964 6.622 ( 2.515 -6.300 7.640) 10.217 6.686 ( -10.487 -9.786 -16.138) 21.591 7.426 ( -7.140 -5.555 12.098) 15.106 7.913 ( -11.076 6.457 -7.375) 14.790 8.195 ( -14.806 1.120 3.572) 15.272 8.345 ( -3.452 -9.048 -9.967) 13.897 8.531 ( -2.122 5.964 4.597) 7.824 8.689 ( 5.038 -2.329 -4.194) 6.956 8.826 ( -3.077 -2.118 0.522) 3.771 9.040 ( 5.653 0.560 0.879) 5.748 9.659 ( 7.127 4.631 11.047) 13.938 10.205 ( 8.763 6.541 1.404) 11.025 12.041 ( -2.746 0.166 -7.632) 8.113 12.389 ( 8.727 -6.737 0.093) 11.026 12.657 ( -5.548 7.564 5.379) 10.814 12.824 ( 4.973 10.864 3.691) 12.505 13.671 ( 3.176 -4.342 -0.760) 5.433 14.153 ( 1.212 -0.501 2.418) 2.751 14.225 ( -2.822 -3.200 0.851) 4.350 14.987 ( 5.666 5.300 -7.772) 10.981 ======================= Grid point 89 (56/156) ======================= q-point: ( 0.05 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 25.785 -1.417 6.948) 26.743 2.035 ( 13.796 -4.089 1.118) 14.432 2.399 ( -1.120 -12.607 0.197) 12.658 2.637 ( 0.949 -15.901 -10.414) 19.032 2.862 ( 9.037 -7.700 7.264) 13.918 3.249 ( -5.920 -13.124 0.641) 14.411 3.409 ( 0.650 5.893 1.036) 6.018 3.685 ( -11.654 6.718 3.229) 13.834 3.877 ( -0.486 -9.319 -1.974) 9.538 4.393 ( -8.000 0.718 -9.344) 12.322 4.672 ( 4.597 11.196 -4.459) 12.898 4.786 ( 5.878 -1.693 -2.462) 6.594 5.111 ( -4.521 -4.833 9.301) 11.415 5.433 ( -6.840 12.955 2.189) 14.813 5.910 ( -2.048 4.168 -4.613) 6.546 6.285 ( -7.201 -4.992 0.298) 8.767 6.511 ( 6.336 -15.157 1.588) 16.505 7.001 ( -0.799 1.893 13.139) 13.299 7.527 ( 14.799 -2.041 -1.623) 15.027 7.702 ( 9.979 -10.564 -21.181) 25.687 7.806 ( 4.780 4.884 -5.070) 8.509 7.962 ( 5.803 -2.067 -3.239) 6.960 8.709 ( 4.013 -1.456 0.239) 4.276 8.877 ( 1.675 -4.136 0.655) 4.510 8.987 ( -0.055 4.877 7.326) 8.801 9.028 ( -6.157 -2.525 4.606) 8.093 10.057 ( -6.227 17.015 6.405) 19.217 10.283 ( -13.355 8.445 4.343) 16.387 11.818 ( -2.678 1.046 -3.281) 4.362 12.087 ( 8.064 2.419 -1.533) 8.558 12.903 ( -10.832 3.096 0.597) 11.281 13.113 ( -3.091 7.574 0.328) 8.188 13.716 ( -1.259 -3.532 7.819) 8.672 14.242 ( 0.013 -1.846 0.666) 1.963 14.308 ( 1.200 -3.800 2.762) 4.848 14.545 ( -0.742 0.616 -12.169) 12.207 ======================= Grid point 90 (57/156) ======================= q-point: ( 0.05 0.75 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 1.612 -12.963 -2.285) 13.261 2.302 ( 0.179 -18.147 -8.298) 19.955 2.552 ( 9.364 3.757 -2.875) 10.491 2.793 ( -5.125 -20.218 -8.386) 22.481 3.059 ( -5.830 5.665 3.333) 8.786 3.322 ( 0.809 11.711 7.904) 14.152 3.351 ( 7.364 -4.023 5.598) 10.087 3.519 ( 2.443 6.124 1.934) 6.872 3.678 ( 5.470 6.169 -3.055) 8.792 4.165 ( 0.141 1.224 -11.281) 11.348 4.796 ( 1.852 9.333 3.801) 10.246 4.910 ( -4.540 3.778 0.483) 5.926 5.110 ( -9.212 2.163 -1.607) 9.598 5.325 ( 2.110 -1.479 5.671) 6.229 5.566 ( -2.182 9.441 1.252) 9.770 6.019 ( -2.103 6.470 -1.336) 6.933 6.917 ( 4.820 -14.390 13.944) 20.609 7.455 ( 2.996 1.825 13.575) 14.021 7.646 ( 3.970 -19.218 -17.711) 26.434 7.803 ( 2.602 -0.884 -4.591) 5.351 8.047 ( 8.551 -4.405 -5.829) 11.248 8.080 ( 11.222 -4.164 -6.876) 13.805 8.740 ( -3.495 -9.178 0.886) 9.861 8.832 ( -2.861 -16.555 3.917) 17.251 8.867 ( -2.742 8.480 2.907) 9.374 9.199 ( 0.598 1.633 1.264) 2.150 9.797 ( -12.726 4.648 1.670) 13.650 9.883 ( -4.816 16.754 0.525) 17.440 11.638 ( 0.246 -5.724 -4.072) 7.029 12.394 ( 6.631 4.523 0.070) 8.027 12.604 ( -4.996 6.039 0.207) 7.841 13.038 ( -3.336 10.730 4.947) 12.277 13.596 ( -5.614 -9.126 -1.824) 10.869 14.306 ( -2.722 0.198 -1.661) 3.194 14.351 ( -0.381 0.074 0.338) 0.515 14.433 ( 6.203 7.943 0.515) 10.091 ======================= Grid point 91 (58/156) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 1.505 -38.800 -0.000) 38.829 1.578 ( -16.147 -10.584 0.000) 19.306 2.230 ( -0.863 -5.911 -0.000) 5.973 2.410 ( -18.834 3.541 0.000) 19.164 3.023 ( -11.413 0.139 0.000) 11.414 3.300 ( 13.190 -0.199 -0.000) 13.191 3.489 ( -15.368 -6.103 0.000) 16.536 3.805 ( -2.654 8.354 0.000) 8.766 3.874 ( -13.628 0.916 0.000) 13.659 4.514 ( 6.006 -2.877 -0.000) 6.660 4.811 ( 15.945 3.852 -0.000) 16.404 4.970 ( 1.936 8.916 0.000) 9.124 5.024 ( 4.975 2.097 -0.000) 5.399 5.462 ( -1.481 8.499 0.000) 8.627 6.083 ( 0.257 -2.734 -0.000) 2.746 6.339 ( -3.790 -8.881 -0.000) 9.656 6.375 ( 5.465 20.664 0.000) 21.375 6.831 ( -12.066 -15.860 -0.000) 19.928 7.316 ( -5.743 -5.014 0.000) 7.624 8.105 ( -4.712 -13.531 -0.000) 14.328 8.185 ( 5.854 -13.290 -0.000) 14.523 8.425 ( 10.999 -1.689 -0.000) 11.128 8.481 ( -6.703 -3.171 0.000) 7.415 8.591 ( -1.216 -0.941 0.000) 1.537 8.938 ( 0.938 9.542 0.000) 9.588 8.985 ( -3.012 3.334 0.000) 4.493 9.478 ( 3.056 2.318 -0.000) 3.836 10.190 ( 6.133 8.144 0.000) 10.196 11.908 ( 13.633 -7.751 -0.000) 15.682 12.184 ( -6.727 -2.836 0.000) 7.300 12.897 ( 5.802 9.217 0.000) 10.891 13.058 ( -9.242 11.397 0.000) 14.673 13.500 ( 5.019 -2.748 -0.000) 5.722 14.148 ( -1.330 1.271 0.000) 1.839 14.231 ( -3.804 -2.018 0.000) 4.306 15.048 ( 7.039 5.943 -0.000) 9.212 ======================= Grid point 93 (59/156) ======================= q-point: ( 0.05 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 28.876 2.795 14.377) 32.378 1.564 ( 7.967 -12.686 12.898) 19.768 2.196 ( -6.749 -19.532 4.250) 21.097 2.408 ( 1.878 -13.445 -5.658) 14.708 2.565 ( -0.221 -8.575 1.669) 8.738 3.027 ( 16.195 -20.419 8.048) 27.276 3.247 ( 1.702 -7.080 -4.265) 8.439 3.586 ( 0.387 6.551 0.915) 6.626 3.869 ( -4.525 -1.706 1.699) 5.126 4.521 ( 2.125 -5.668 8.675) 10.578 4.843 ( 1.726 7.841 -8.268) 11.525 4.984 ( -7.150 0.642 -17.027) 18.478 5.255 ( -7.362 7.787 -3.825) 11.379 5.700 ( -0.465 -1.027 -3.585) 3.758 5.978 ( 11.686 9.021 -6.328) 16.062 6.149 ( -2.792 -0.855 2.249) 3.686 6.243 ( -2.151 -7.040 5.735) 9.332 6.913 ( 0.092 -15.444 -5.299) 16.328 7.265 ( -0.611 5.505 9.207) 10.744 7.671 ( 7.770 -5.967 -0.353) 9.803 7.774 ( 7.536 -3.710 -11.281) 14.065 8.104 ( -0.300 8.330 -5.641) 10.065 8.585 ( 1.920 -5.947 -2.783) 6.841 8.864 ( -0.597 1.390 0.521) 1.600 8.879 ( 1.105 4.531 9.764) 10.821 9.083 ( -4.062 -1.071 -2.774) 5.034 10.349 ( -8.870 21.399 16.498) 28.439 10.552 ( -8.188 7.930 7.425) 13.604 11.966 ( -4.895 -1.006 -1.809) 5.315 12.071 ( 7.339 12.105 0.429) 14.162 13.084 ( -6.779 -3.827 2.543) 8.189 13.249 ( -2.899 6.924 3.320) 8.208 13.581 ( -0.515 -0.474 1.801) 1.932 14.112 ( 3.797 -6.042 1.963) 7.402 14.182 ( 0.163 -2.597 1.364) 2.938 14.767 ( 2.430 -5.604 -18.072) 19.077 ======================= Grid point 94 (60/156) ======================= q-point: ( 0.05 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.765 -22.211 -5.005) 22.781 2.012 ( 4.737 -14.629 0.447) 15.384 2.448 ( 15.001 -0.402 -3.736) 15.464 2.583 ( 20.305 -2.068 0.666) 20.421 2.933 ( -0.716 -4.411 -8.672) 9.756 3.011 ( 7.763 -1.867 11.333) 13.863 3.521 ( -0.396 2.618 2.740) 3.810 3.575 ( -8.532 3.996 0.918) 9.466 3.891 ( 5.578 6.984 0.311) 8.944 4.309 ( -0.952 0.284 -6.285) 6.363 4.787 ( -0.768 0.983 5.286) 5.431 4.978 ( 3.465 -1.527 4.585) 5.946 5.083 ( 0.776 10.124 -0.085) 10.154 5.420 ( -5.929 1.414 -10.500) 12.141 5.990 ( -9.329 8.632 -3.724) 13.244 6.167 ( 1.468 6.642 2.848) 7.374 6.329 ( 6.181 -15.183 3.381) 16.738 7.018 ( 5.762 -5.348 12.110) 14.438 7.645 ( 3.275 -10.334 -14.825) 18.365 7.710 ( 10.863 -6.119 0.560) 12.480 7.854 ( 2.785 -3.285 -8.010) 9.095 8.122 ( 5.004 2.466 -4.663) 7.271 8.521 ( -4.037 -13.923 -0.291) 14.500 8.717 ( -7.345 -3.754 0.911) 8.298 8.952 ( -0.913 3.053 4.097) 5.191 9.132 ( 2.988 3.397 4.779) 6.581 10.078 ( -15.701 6.131 7.921) 18.624 10.285 ( -8.110 13.572 3.247) 16.140 11.732 ( -3.400 -1.425 -7.695) 8.533 12.389 ( 5.925 7.511 -0.026) 9.567 12.741 ( -5.656 -0.782 0.616) 5.743 13.133 ( -7.278 4.419 9.785) 12.971 13.628 ( -0.904 0.738 -1.491) 1.893 14.260 ( 3.009 -2.859 1.692) 4.482 14.288 ( 2.063 0.454 2.928) 3.611 14.595 ( 1.661 2.820 -10.565) 11.060 ======================= Grid point 95 (61/156) ======================= q-point: ( 0.05 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -4.646 -34.752 -7.767) 35.911 2.154 ( 1.027 -9.397 -2.110) 9.686 2.355 ( -8.245 -10.786 -16.208) 21.142 2.730 ( 3.027 2.297 -2.170) 4.376 3.069 ( -1.826 4.479 -0.331) 4.849 3.415 ( -2.781 3.427 16.530) 17.109 3.511 ( -1.104 12.141 2.441) 12.433 3.844 ( 14.991 3.915 -2.710) 15.729 3.954 ( 1.092 10.017 3.732) 10.745 4.311 ( 9.456 5.800 -13.645) 17.586 4.639 ( -11.207 -7.501 -1.550) 13.574 4.929 ( -0.287 -6.605 0.814) 6.661 5.036 ( -7.568 14.326 4.330) 16.771 5.421 ( -0.275 10.814 10.045) 14.762 5.809 ( 6.490 5.833 -0.016) 8.726 6.296 ( 4.061 17.175 -2.668) 17.849 6.623 ( -2.501 -17.820 8.298) 19.816 7.210 ( -10.520 -14.581 -7.400) 19.443 7.476 ( 3.610 -7.890 4.333) 9.699 7.810 ( 4.436 -6.407 -1.610) 7.957 8.081 ( 6.884 -5.697 -2.348) 9.239 8.146 ( 3.705 -12.683 -4.934) 14.104 8.489 ( -1.387 -6.623 1.434) 6.917 8.567 ( 4.227 -6.609 -1.773) 8.043 8.976 ( -2.988 6.426 5.181) 8.779 9.203 ( -3.606 1.645 0.110) 3.965 9.648 ( -8.273 2.244 -2.635) 8.968 10.088 ( -2.350 12.002 0.968) 12.268 11.588 ( 3.535 -3.075 -2.991) 5.559 12.436 ( -5.154 -2.672 1.266) 5.941 12.701 ( 3.273 4.381 0.118) 5.470 13.163 ( -0.873 8.375 8.261) 11.796 13.477 ( -1.022 2.313 -7.512) 7.926 14.252 ( -1.991 -0.454 -2.463) 3.199 14.336 ( -1.625 0.086 -0.359) 1.667 14.714 ( 7.213 6.769 3.715) 10.566 ======================= Grid point 96 (62/156) ======================= q-point: ( 0.05 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 3.218 -39.632 -0.000) 39.762 1.013 ( -20.598 -10.615 0.000) 23.172 2.044 ( -34.447 5.624 0.000) 34.903 2.241 ( 5.524 0.580 -0.000) 5.554 2.648 ( -24.773 -5.874 0.000) 25.460 2.887 ( -15.483 -9.407 0.000) 18.117 3.526 ( 10.215 0.004 -0.000) 10.215 3.798 ( -2.029 1.285 0.000) 2.401 3.850 ( -5.331 4.185 0.000) 6.777 4.282 ( -9.482 -10.761 -0.000) 14.343 5.035 ( 5.434 1.740 -0.000) 5.706 5.264 ( 14.055 -0.154 -0.000) 14.055 5.302 ( 14.555 8.073 -0.000) 16.644 5.615 ( -4.236 13.033 0.000) 13.704 6.005 ( -0.666 -4.171 -0.000) 4.224 6.265 ( -10.168 -15.841 -0.000) 18.824 6.350 ( 4.304 4.284 -0.000) 6.072 6.885 ( 4.000 17.815 0.000) 18.259 7.045 ( -9.797 -7.991 0.000) 12.643 7.628 ( -9.240 -17.595 -0.000) 19.874 8.033 ( 4.552 -12.575 -0.000) 13.373 8.311 ( -7.044 -0.141 0.000) 7.045 8.613 ( 9.361 0.598 -0.000) 9.380 8.649 ( 2.619 2.786 0.000) 3.824 8.975 ( -2.554 0.646 0.000) 2.634 9.182 ( 4.731 8.621 0.000) 9.834 9.648 ( 5.526 5.386 -0.000) 7.717 10.418 ( 5.291 4.028 -0.000) 6.649 12.027 ( -4.324 -2.088 0.000) 4.802 12.047 ( 13.320 -4.503 -0.000) 14.060 13.029 ( -10.368 5.320 0.000) 11.653 13.177 ( 8.965 5.250 -0.000) 10.389 13.560 ( 2.242 1.024 -0.000) 2.465 14.075 ( -6.843 -3.527 0.000) 7.699 14.141 ( -1.103 0.270 0.000) 1.136 15.250 ( 4.730 3.459 -0.000) 5.860 ======================= Grid point 98 (63/156) ======================= q-point: ( 0.05 0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 3.772 -30.170 5.745) 30.943 1.536 ( 18.389 -5.361 11.662) 22.426 2.123 ( 17.582 3.284 2.624) 18.078 2.343 ( 12.085 3.166 -1.759) 12.616 2.639 ( 9.370 3.818 7.797) 12.773 2.952 ( 15.374 -18.070 0.164) 23.725 3.196 ( 3.762 -2.355 -1.743) 4.768 3.712 ( -6.782 -2.232 0.896) 7.196 3.810 ( 6.749 6.096 1.129) 9.165 4.477 ( 2.945 -2.511 5.756) 6.936 4.738 ( -8.739 1.361 -6.924) 11.232 5.117 ( -1.467 5.459 -9.451) 11.013 5.340 ( -1.431 11.189 -4.002) 11.969 5.606 ( 2.404 -8.885 -10.764) 14.163 5.960 ( -6.489 -6.984 0.224) 9.535 6.156 ( -3.409 0.459 7.773) 8.500 6.387 ( 6.526 10.907 -9.317) 15.760 6.666 ( 4.310 -7.804 3.033) 9.417 7.421 ( 5.674 3.683 8.610) 10.949 7.635 ( 2.710 -8.150 -1.557) 8.729 7.778 ( 5.256 -9.115 -12.122) 16.051 8.167 ( -5.277 -0.886 0.894) 5.425 8.532 ( 3.900 -0.623 -9.514) 10.301 8.787 ( -7.140 0.088 3.669) 8.028 8.890 ( -2.407 0.227 6.757) 7.176 9.111 ( 1.971 3.061 -1.771) 4.049 10.355 ( -21.314 8.936 16.377) 28.326 10.545 ( -7.156 7.516 6.520) 12.256 11.896 ( -2.076 0.416 -4.492) 4.966 12.390 ( -0.693 -3.457 0.796) 3.614 12.828 ( -3.294 5.848 4.141) 7.886 13.211 ( -9.272 3.803 5.451) 11.408 13.655 ( 2.525 2.014 0.144) 3.233 14.085 ( 4.961 -4.309 1.564) 6.755 14.188 ( 2.921 -0.230 1.870) 3.476 14.789 ( 6.601 -2.258 -17.672) 18.999 ======================= Grid point 99 (64/156) ======================= q-point: ( 0.05 0.55 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -5.895 -28.958 -7.227) 30.423 1.871 ( 4.381 -9.937 -3.373) 11.372 2.721 ( 1.347 -0.638 1.011) 1.801 2.799 ( 0.306 1.616 -7.938) 8.107 2.898 ( 13.431 -0.503 -4.049) 14.037 3.264 ( 4.594 5.314 1.673) 7.221 3.613 ( 12.019 1.910 1.626) 12.278 3.636 ( 0.505 8.230 8.452) 11.808 4.093 ( 2.122 1.122 1.600) 2.885 4.399 ( 3.567 5.707 0.476) 6.747 4.712 ( -3.435 -3.116 -0.001) 4.637 4.913 ( -4.562 -2.549 -3.605) 6.349 5.328 ( -0.281 15.200 4.944) 15.987 5.392 ( 0.176 1.309 -5.217) 5.382 5.973 ( -6.789 -1.726 1.956) 7.273 6.105 ( 7.731 -9.546 2.431) 12.522 6.531 ( 7.220 13.549 -0.430) 15.358 7.027 ( 6.223 -4.962 4.733) 9.260 7.413 ( -10.051 -3.705 -2.626) 11.029 7.759 ( 5.343 -10.195 -11.057) 15.960 7.799 ( -2.657 -12.169 8.845) 15.277 7.903 ( 2.624 -9.731 -7.738) 12.706 8.481 ( -1.180 0.983 -2.529) 2.959 8.574 ( 1.004 3.766 -4.027) 5.605 8.984 ( -1.139 1.096 5.785) 5.997 9.195 ( -0.692 0.355 4.172) 4.244 9.882 ( -11.033 2.122 2.344) 11.477 10.334 ( -7.384 7.010 3.850) 10.885 11.671 ( -2.439 1.208 -6.476) 7.025 12.363 ( -1.226 -9.289 2.957) 9.825 12.710 ( -3.159 2.737 -0.175) 4.184 13.209 ( 0.304 10.341 7.229) 12.621 13.667 ( -0.508 1.879 -3.633) 4.122 14.260 ( 2.711 -1.325 -0.805) 3.123 14.345 ( 1.121 0.357 2.125) 2.429 14.689 ( 2.653 2.245 -4.493) 5.680 ======================= Grid point 100 (65/156) ======================= q-point: ( 0.05 -0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -4.799 -27.827 -9.241) 29.711 1.925 ( -14.466 -3.305 -6.565) 16.226 2.077 ( 3.189 -9.075 -12.664) 15.903 2.784 ( -2.930 4.004 -2.692) 5.645 3.185 ( 2.010 5.761 0.469) 6.120 3.386 ( -11.560 8.760 10.530) 17.924 3.606 ( -9.335 0.311 -2.100) 9.573 3.938 ( -6.094 -1.847 10.578) 12.347 4.071 ( -8.123 -0.246 -6.593) 10.465 4.323 ( 5.753 -2.513 3.808) 7.343 4.729 ( 11.214 6.570 -8.713) 15.647 4.852 ( 6.798 -4.832 -1.214) 8.428 5.143 ( -8.025 8.915 1.958) 12.154 5.654 ( -3.115 15.504 13.621) 20.871 5.824 ( 4.758 -13.498 -2.647) 14.555 6.364 ( -0.805 -0.627 5.145) 5.245 6.703 ( -13.976 -8.075 -3.084) 16.433 6.777 ( 6.302 15.002 -4.895) 16.992 7.331 ( -2.295 -8.796 -2.349) 9.389 7.748 ( 5.405 -9.056 2.887) 10.934 7.792 ( 0.196 -17.772 -0.102) 17.774 8.184 ( 7.713 -2.359 3.898) 8.958 8.434 ( 3.076 -2.666 -3.454) 5.339 8.633 ( 2.426 2.369 -4.763) 5.847 8.986 ( -4.187 1.450 7.609) 8.806 9.152 ( -2.960 1.566 1.043) 3.508 9.634 ( 1.448 3.923 -9.333) 10.227 10.259 ( 2.080 6.180 -0.068) 6.521 11.666 ( 6.593 1.468 -1.668) 6.958 12.233 ( -6.923 -3.699 2.173) 8.144 12.833 ( 8.037 -1.425 0.101) 8.163 13.288 ( -2.952 4.232 2.689) 5.819 13.537 ( -0.332 5.139 -4.565) 6.882 14.222 ( -1.635 0.534 -2.743) 3.238 14.278 ( -3.532 -1.079 -0.285) 3.705 14.947 ( 6.291 3.830 6.658) 9.928 ======================= Grid point 101 (66/156) ======================= q-point: ( 0.10 -0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -8.889 34.509 0.000) 35.636 0.910 ( -23.614 0.385 0.000) 23.617 2.065 ( -48.341 -9.589 0.000) 49.283 2.241 ( 8.017 -0.481 -0.000) 8.032 2.574 ( -15.127 6.502 0.000) 16.465 2.832 ( -18.266 -4.653 0.000) 18.849 3.560 ( 7.689 3.330 -0.000) 8.379 3.761 ( -1.129 -2.466 -0.000) 2.712 3.876 ( -5.750 -1.713 0.000) 6.000 4.158 ( -9.732 -0.062 0.000) 9.732 5.017 ( 8.537 -2.506 -0.000) 8.897 5.304 ( 11.363 3.486 -0.000) 11.886 5.363 ( 18.097 -1.815 -0.000) 18.187 5.807 ( -9.310 -0.762 0.000) 9.341 5.923 ( 2.743 -2.183 -0.000) 3.506 6.050 ( -5.362 0.792 0.000) 5.420 6.483 ( 0.533 6.347 0.000) 6.370 6.940 ( -11.839 -1.004 0.000) 11.882 7.055 ( 4.557 -7.216 -0.000) 8.534 7.440 ( -9.653 5.598 0.000) 11.159 7.851 ( 4.961 -3.586 -0.000) 6.121 8.292 ( -4.399 -1.116 0.000) 4.538 8.613 ( 8.608 -0.512 -0.000) 8.623 8.699 ( 3.927 2.216 -0.000) 4.509 8.964 ( -2.308 -1.681 0.000) 2.856 9.274 ( 5.412 0.045 -0.000) 5.412 9.749 ( 4.396 2.806 -0.000) 5.215 10.459 ( 4.797 0.079 -0.000) 4.798 12.002 ( -3.793 -0.410 0.000) 3.815 12.100 ( 9.807 10.877 0.000) 14.645 12.983 ( -7.144 -10.586 -0.000) 12.771 13.191 ( 12.169 -2.704 -0.000) 12.466 13.623 ( -0.744 3.956 0.000) 4.025 14.028 ( -7.845 -0.913 0.000) 7.898 14.143 ( -1.464 -0.048 0.000) 1.465 15.294 ( 4.283 0.610 -0.000) 4.326 ======================= Grid point 102 (67/156) ======================= q-point: ( 0.10 0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -0.000 -0.000 22.203) 22.203 0.411 ( -0.000 -0.000 22.203) 22.203 0.973 ( -0.000 -0.000 51.415) 51.415 2.297 ( 0.000 0.000 -6.413) 6.413 2.297 ( 0.000 0.000 -6.413) 6.413 2.303 ( -0.000 -0.000 1.667) 1.667 3.172 ( 0.000 0.000 -2.883) 2.883 3.740 ( -0.000 -0.000 0.664) 0.664 3.740 ( -0.000 -0.000 0.664) 0.664 4.094 ( -0.000 -0.000 13.330) 13.330 5.310 ( 0.000 0.000 -0.779) 0.779 5.343 ( 0.000 0.000 -12.880) 12.880 5.343 ( 0.000 0.000 -12.880) 12.880 5.861 ( 0.000 0.000 -2.683) 2.683 6.022 ( -0.000 -0.000 8.826) 8.826 6.369 ( 0.000 0.000 -13.474) 13.474 6.369 ( 0.000 0.000 -13.474) 13.474 6.589 ( 0.000 0.000 -2.484) 2.484 7.275 ( -0.000 -0.000 10.215) 10.215 7.275 ( -0.000 -0.000 10.215) 10.215 7.873 ( 0.000 0.000 -10.661) 10.661 8.211 ( -0.000 -0.000 4.094) 4.094 8.211 ( -0.000 -0.000 4.094) 4.094 8.875 ( -0.000 -0.000 4.969) 4.969 8.875 ( -0.000 -0.000 4.969) 4.969 9.288 ( 0.000 0.000 -11.710) 11.710 10.627 ( -0.000 -0.000 5.676) 5.676 11.274 ( 0.000 0.000 -1.442) 1.442 12.366 ( -0.000 -0.000 0.267) 0.267 12.366 ( -0.000 -0.000 0.267) 0.267 12.814 ( -0.000 -0.000 4.023) 4.023 13.608 ( -0.000 -0.000 0.181) 0.181 13.608 ( -0.000 -0.000 0.181) 0.181 13.725 ( -0.000 -0.000 2.541) 2.541 14.073 ( 0.000 0.000 -3.982) 3.982 14.211 ( -0.000 -0.000 0.707) 0.707 ======================= Grid point 103 (68/156) ======================= q-point: ( 0.10 0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -0.278 -12.511 12.572) 17.738 1.483 ( 14.413 0.431 12.972) 19.396 2.205 ( 16.364 4.147 -0.753) 16.898 2.497 ( 15.858 6.830 1.699) 17.350 2.597 ( 18.829 -15.461 -2.462) 24.487 2.757 ( 16.362 8.898 7.789) 20.188 3.201 ( 4.873 2.321 -0.015) 5.397 3.635 ( -5.469 -4.539 0.467) 7.122 3.894 ( 4.288 1.965 1.568) 4.971 4.474 ( 5.041 1.976 8.312) 9.920 4.779 ( -9.765 2.904 -7.342) 12.557 5.144 ( -1.020 -4.760 -13.864) 14.694 5.388 ( -0.429 -7.497 -6.110) 9.681 5.586 ( 4.104 10.450 -6.547) 12.997 5.869 ( -10.503 -1.273 -5.073) 11.733 6.176 ( -5.021 0.230 9.314) 10.583 6.356 ( 5.658 -8.651 -3.142) 10.804 6.756 ( 13.779 12.119 -2.995) 18.593 7.435 ( -0.554 -12.050 5.659) 13.324 7.529 ( 4.355 6.481 5.169) 9.364 7.685 ( 1.490 0.629 -10.817) 10.938 8.127 ( -7.934 -2.108 -2.956) 8.726 8.551 ( 6.077 1.602 -6.580) 9.100 8.816 ( -6.698 2.823 3.179) 7.933 8.890 ( -2.212 -0.420 6.034) 6.440 9.134 ( 2.241 -0.757 -2.318) 3.312 10.435 ( -22.238 -0.297 12.722) 25.622 10.639 ( -10.649 0.614 10.423) 14.914 11.939 ( -4.028 4.153 -1.906) 6.092 12.167 ( -6.025 -13.678 2.315) 15.124 13.045 ( 0.293 10.434 3.021) 10.867 13.263 ( -7.204 1.210 3.730) 8.202 13.638 ( 1.251 -3.853 0.607) 4.097 14.053 ( 6.716 1.435 1.570) 7.044 14.184 ( 3.503 -0.220 1.332) 3.754 14.750 ( 9.750 -1.000 -18.804) 21.205 ======================= Grid point 104 (69/156) ======================= q-point: ( 0.10 0.50 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -2.905 1.459 4.962) 5.932 1.767 ( 3.825 -0.409 -5.079) 6.371 2.702 ( -3.617 -0.830 -1.811) 4.129 2.815 ( 5.070 -0.897 -8.430) 9.878 2.902 ( 13.700 1.104 2.082) 13.901 3.348 ( 3.353 2.822 0.125) 4.385 3.655 ( 11.915 1.007 3.057) 12.342 3.752 ( 3.774 5.106 5.533) 8.422 4.059 ( 0.181 -3.525 0.853) 3.632 4.473 ( -0.928 -0.004 5.916) 5.988 4.647 ( -0.424 -3.044 -6.600) 7.280 4.882 ( -0.466 -1.740 -9.563) 9.732 5.362 ( 3.309 -3.632 -6.800) 8.389 5.508 ( -1.606 -3.348 11.631) 12.209 5.852 ( 0.677 3.550 8.988) 9.687 6.127 ( -1.196 4.823 -2.738) 5.674 6.671 ( 10.653 2.079 -0.352) 10.860 7.111 ( 3.508 11.624 2.576) 12.412 7.369 ( -2.574 -13.268 -2.468) 13.738 7.407 ( -12.875 -4.853 0.127) 13.760 7.707 ( 3.773 -2.753 -14.328) 15.070 7.836 ( 5.339 1.033 1.789) 5.725 8.523 ( -3.263 3.671 -0.134) 4.913 8.666 ( 2.217 5.060 -4.710) 7.260 8.989 ( -2.139 -0.483 8.067) 8.360 9.186 ( -1.524 -1.237 3.238) 3.787 9.899 ( -11.141 -0.429 1.514) 11.251 10.402 ( -8.009 -0.065 4.640) 9.256 11.711 ( -2.589 2.588 -3.005) 4.736 12.182 ( 2.722 -8.031 0.811) 8.518 12.776 ( -7.110 3.710 0.014) 8.020 13.327 ( -0.204 -0.289 2.775) 2.797 13.685 ( 0.309 1.434 -0.235) 1.486 14.260 ( 3.020 1.116 -0.716) 3.298 14.347 ( 0.752 0.021 1.884) 2.029 14.695 ( 4.142 -1.552 -4.996) 6.673 ======================= Grid point 105 (70/156) ======================= q-point: ( 0.10 -0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -4.746 26.278 -0.576) 26.710 1.921 ( -10.105 3.038 -0.232) 10.555 1.952 ( -0.629 -3.766 -17.981) 18.381 2.860 ( 0.722 4.159 -3.398) 5.419 3.285 ( 2.747 3.358 -0.475) 4.365 3.416 ( -11.204 -5.752 5.226) 13.635 3.596 ( -19.176 -4.278 3.150) 19.898 3.869 ( -10.423 -2.948 11.798) 16.017 4.055 ( -6.369 -0.932 -6.430) 9.098 4.296 ( 14.836 0.117 3.448) 15.232 4.710 ( 0.751 -4.601 -0.246) 4.668 4.895 ( 10.689 4.316 -7.505) 13.755 5.275 ( -14.201 0.994 -9.200) 16.950 5.578 ( 9.818 -3.388 3.827) 11.069 5.921 ( -2.196 8.196 13.433) 15.889 6.308 ( -0.411 -6.918 5.089) 8.598 6.619 ( -10.018 3.597 -0.919) 10.684 6.984 ( -2.439 -3.882 -4.281) 6.273 7.219 ( 3.550 1.210 -5.697) 6.821 7.544 ( 5.282 -2.543 2.451) 6.354 7.660 ( 2.707 -0.370 -3.089) 4.124 8.179 ( 8.662 1.385 4.050) 9.662 8.418 ( -0.594 1.046 -0.637) 1.361 8.694 ( 1.334 3.808 -4.959) 6.393 8.966 ( -4.846 -3.068 8.000) 9.844 9.160 ( -0.897 -0.867 1.018) 1.610 9.689 ( 3.335 1.318 -8.062) 8.824 10.322 ( 1.714 0.241 -0.123) 1.736 11.761 ( 6.385 8.076 -0.079) 10.295 12.177 ( -4.244 -1.721 0.394) 4.596 12.780 ( 7.568 -3.327 0.178) 8.269 13.243 ( -4.591 -8.783 -1.475) 10.019 13.660 ( -0.623 6.648 -0.924) 6.740 14.227 ( -2.039 -0.165 -2.332) 3.102 14.261 ( -3.746 -0.600 -0.433) 3.818 14.988 ( 6.650 0.357 6.753) 9.484 ======================= Grid point 112 (71/156) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 8.600 22.099 10.756) 26.039 1.557 ( 6.647 24.292 11.586) 27.722 2.103 ( 12.279 8.272 2.664) 15.043 2.308 ( 0.690 -0.608 10.600) 10.640 2.669 ( 16.350 5.586 -6.322) 18.398 3.184 ( 17.414 12.812 3.385) 21.882 3.512 ( -7.342 -0.503 -8.652) 11.359 3.654 ( 1.476 2.303 -4.580) 5.335 3.748 ( 0.826 -4.542 0.422) 4.636 4.475 ( 6.092 7.092 1.361) 9.448 4.881 ( -1.418 -9.106 -7.001) 11.574 5.075 ( -8.223 -10.356 -1.639) 13.325 5.326 ( -5.697 3.870 -10.299) 12.389 5.425 ( -12.152 -10.284 13.553) 20.908 6.057 ( 4.864 -2.893 3.626) 6.721 6.248 ( -3.839 1.852 -8.167) 9.212 6.453 ( 9.996 13.376 -10.984) 19.988 6.663 ( -3.335 -11.753 9.123) 15.247 7.283 ( 6.373 9.204 7.613) 13.539 7.889 ( 11.079 9.810 -4.884) 15.583 8.159 ( 3.749 9.454 -9.509) 13.923 8.205 ( 5.010 -1.288 -4.272) 6.709 8.622 ( -1.060 -2.739 2.248) 3.699 8.703 ( -3.578 -1.682 8.229) 9.129 8.811 ( 2.214 -1.242 -5.674) 6.216 9.076 ( -5.264 -3.456 -0.886) 6.359 9.775 ( -10.379 -7.612 18.294) 22.368 10.338 ( -7.165 -6.933 2.269) 10.225 12.020 ( 2.355 1.712 -5.176) 5.939 12.220 ( -13.820 9.617 1.301) 16.887 12.859 ( 10.353 -11.853 1.687) 15.828 13.040 ( -4.465 -10.780 3.662) 12.229 13.594 ( -3.919 3.420 0.256) 5.208 14.147 ( 2.088 0.863 1.124) 2.524 14.162 ( 3.003 2.754 1.620) 4.385 15.062 ( -3.733 -2.586 -11.160) 12.048 ======================= Grid point 113 (72/156) ======================= q-point: ( 0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 2.713 33.507 10.617) 35.254 2.120 ( 6.254 11.896 0.768) 13.462 2.561 ( 7.406 2.028 14.535) 16.438 2.713 ( 4.966 -0.846 2.653) 5.694 3.080 ( 7.793 3.387 -6.525) 10.713 3.163 ( -4.530 -7.029 3.755) 9.167 3.480 ( -0.741 -13.567 -0.127) 13.588 3.732 ( 5.784 -1.625 -10.741) 12.307 4.149 ( 7.402 -4.345 2.266) 8.877 4.314 ( -5.116 2.403 -2.492) 6.177 4.762 ( -1.962 -6.070 -10.855) 12.591 4.862 ( -0.306 -1.314 8.367) 8.475 5.000 ( -9.854 -0.912 3.619) 10.537 5.161 ( 4.863 -8.672 -7.182) 12.265 5.880 ( -5.349 -8.681 -2.720) 10.553 6.442 ( 5.380 1.304 -1.915) 5.858 6.589 ( -8.637 -3.076 8.710) 12.646 6.910 ( 17.723 6.757 -1.348) 19.016 7.536 ( -5.966 13.029 -3.522) 14.756 7.868 ( 3.298 7.780 0.795) 8.488 8.042 ( 0.822 10.694 -3.495) 11.281 8.182 ( 3.812 11.778 -11.918) 17.184 8.660 ( -9.067 1.697 10.014) 13.615 8.690 ( -3.114 4.941 2.589) 6.388 8.866 ( 2.652 -2.922 1.462) 4.208 9.088 ( 4.685 -2.580 -1.299) 5.504 9.714 ( -4.751 -4.899 7.298) 9.991 10.103 ( -4.422 -10.757 0.835) 11.660 11.731 ( -5.892 3.440 2.022) 7.116 12.243 ( 8.250 3.792 -4.231) 10.017 12.794 ( -5.805 -6.796 0.430) 8.948 13.062 ( -2.605 -8.190 -4.501) 9.702 13.606 ( 0.481 -0.717 7.681) 7.729 14.257 ( 2.223 -1.456 2.086) 3.378 14.319 ( 2.660 0.818 2.355) 3.646 14.705 ( -4.025 -5.303 -9.209) 11.364 ======================= Grid point 114 (73/156) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -0.107 27.777 7.382) 28.741 2.125 ( -2.459 10.211 0.301) 10.507 2.447 ( -8.091 6.080 -19.275) 21.771 2.806 ( -6.776 -5.617 3.284) 9.394 3.121 ( -12.547 -0.497 -5.062) 13.538 3.230 ( -0.898 -5.063 6.392) 8.204 3.365 ( 2.792 -3.079 9.501) 10.371 3.629 ( -8.044 -0.231 0.031) 8.047 3.949 ( 0.077 -9.420 -0.645) 9.442 4.405 ( 2.418 5.958 -0.098) 6.431 4.656 ( -2.372 -5.803 -2.958) 6.932 4.775 ( 8.026 -4.874 -5.835) 11.055 5.126 ( 6.908 -6.458 -2.189) 9.706 5.427 ( 1.307 -8.161 7.152) 10.930 5.880 ( 7.331 -14.949 1.804) 16.747 6.270 ( -10.730 13.383 -1.377) 17.209 6.490 ( -2.846 0.808 11.715) 12.083 6.940 ( -9.345 1.418 -9.997) 13.758 7.604 ( 12.198 11.860 0.162) 17.014 7.805 ( -6.046 9.257 -8.216) 13.775 8.174 ( 2.503 14.445 3.767) 15.136 8.261 ( 0.043 8.629 6.168) 10.607 8.515 ( 0.329 4.595 0.427) 4.627 8.599 ( -3.867 -3.534 6.566) 8.399 8.929 ( -1.240 1.278 -0.745) 1.930 9.086 ( -1.597 -2.583 -3.727) 4.808 9.725 ( 5.687 -5.007 -6.921) 10.262 10.120 ( 4.574 -10.705 -0.858) 11.673 11.828 ( 3.644 2.146 8.930) 9.881 12.437 ( 1.732 3.449 -1.804) 4.260 12.677 ( 1.126 -1.610 -0.169) 1.971 12.821 ( 1.171 -11.194 -10.517) 15.404 13.696 ( -2.140 -1.769 3.864) 4.758 14.251 ( -1.814 -2.267 -4.654) 5.486 14.293 ( -2.816 1.746 -0.930) 3.441 14.735 ( 4.879 -5.657 7.728) 10.748 ======================= Grid point 116 (74/156) ======================= q-point: ( 0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 6.510 20.025 0.000) 21.056 1.446 ( 38.601 6.610 -0.000) 39.163 2.107 ( 3.428 -5.631 -0.000) 6.592 2.556 ( -15.847 33.257 0.000) 36.839 2.913 ( 1.019 6.590 0.000) 6.669 3.119 ( -1.991 18.436 0.000) 18.543 3.500 ( 4.525 -7.408 -0.000) 8.680 3.818 ( -0.769 8.084 0.000) 8.120 3.877 ( -8.546 4.221 0.000) 9.532 4.507 ( 10.405 8.015 -0.000) 13.134 4.792 ( -1.929 -10.030 -0.000) 10.214 4.969 ( -6.797 -10.358 -0.000) 12.389 5.130 ( 2.078 -11.895 -0.000) 12.075 5.757 ( -14.848 8.299 0.000) 17.010 5.842 ( 5.218 -4.979 -0.000) 7.213 6.337 ( 3.171 -3.404 -0.000) 4.652 6.598 ( -0.650 7.829 0.000) 7.856 6.742 ( -6.017 5.752 0.000) 8.324 7.163 ( 5.744 2.277 -0.000) 6.179 7.795 ( 9.152 -8.341 -0.000) 12.383 7.821 ( 15.665 1.954 -0.000) 15.787 8.391 ( 2.404 6.900 0.000) 7.306 8.439 ( 1.497 -10.273 -0.000) 10.382 8.694 ( 1.946 1.619 -0.000) 2.531 8.933 ( -4.259 0.355 0.000) 4.274 9.130 ( -4.843 -2.627 0.000) 5.510 9.650 ( -3.927 -3.122 0.000) 5.016 10.323 ( -4.988 -4.541 0.000) 6.745 12.082 ( 0.904 3.489 0.000) 3.605 12.197 ( 16.942 -10.452 -0.000) 19.907 12.825 ( -18.165 7.131 0.000) 19.514 12.885 ( -4.639 -10.883 -0.000) 11.830 13.706 ( 0.849 2.824 0.000) 2.949 14.160 ( -1.406 1.258 0.000) 1.887 14.167 ( 1.818 5.219 0.000) 5.526 15.162 ( -3.696 -6.455 -0.000) 7.439 ======================= Grid point 117 (75/156) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 9.781 11.589 12.899) 19.909 2.082 ( 3.856 19.759 4.524) 20.634 2.350 ( 7.917 5.757 0.958) 9.836 2.563 ( 6.059 14.416 6.778) 17.044 3.039 ( 7.645 2.665 -1.790) 8.292 3.298 ( -9.333 0.357 -5.109) 10.646 3.360 ( -0.305 -6.609 -4.578) 8.046 3.672 ( 5.619 -6.325 0.773) 8.496 3.932 ( 9.042 4.979 -1.225) 10.394 4.479 ( -9.336 -0.018 -3.204) 9.871 4.687 ( 1.901 -10.377 -5.044) 11.694 4.855 ( -2.523 -5.085 3.997) 6.943 4.926 ( -14.812 -11.476 7.688) 20.254 5.334 ( -3.128 4.920 -7.685) 9.647 5.906 ( -8.576 -13.341 -5.502) 16.787 6.268 ( 3.737 1.691 6.633) 7.799 6.589 ( 3.776 8.409 4.377) 10.204 6.920 ( 12.490 8.836 -15.382) 21.695 7.569 ( 7.614 7.947 13.581) 17.480 8.059 ( 2.877 -4.576 -8.862) 10.380 8.298 ( -2.571 6.920 -4.285) 8.536 8.500 ( 10.288 5.418 -5.398) 12.819 8.552 ( -0.771 -1.293 7.559) 7.707 8.671 ( 3.741 -0.157 -1.623) 4.081 8.863 ( -0.027 7.970 1.255) 8.069 8.958 ( -1.014 -2.499 1.292) 2.991 9.539 ( -4.836 -2.875 8.816) 10.459 10.030 ( -8.953 -8.815 0.529) 12.575 12.025 ( -8.419 5.088 -5.496) 11.268 12.230 ( 0.408 3.718 1.062) 3.889 12.708 ( -4.220 -8.397 0.050) 9.397 12.844 ( 6.999 -13.196 4.154) 15.504 13.604 ( -3.409 5.927 0.651) 6.868 14.142 ( 0.428 -1.335 2.374) 2.758 14.273 ( 2.152 1.674 0.716) 2.819 14.861 ( -7.283 -6.544 -6.212) 11.596 ======================= Grid point 118 (76/156) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 1.039 17.717 5.770) 18.662 2.405 ( 0.893 9.449 1.483) 9.606 2.713 ( 1.495 0.602 4.097) 4.403 2.838 ( 3.967 10.018 2.509) 11.063 2.978 ( -0.788 -7.329 5.641) 9.282 3.164 ( 0.967 -4.694 -0.664) 4.839 3.299 ( 0.566 4.432 -4.196) 6.129 3.699 ( -0.110 -8.749 -3.501) 9.424 3.818 ( -15.275 -4.777 3.256) 16.332 4.446 ( -5.531 -5.364 8.131) 11.202 4.495 ( 11.487 -10.261 -12.891) 20.086 4.790 ( 0.611 -1.205 -3.563) 3.810 5.104 ( 5.058 -2.296 9.058) 10.626 5.191 ( 2.551 8.622 -7.108) 11.462 5.527 ( -3.314 -14.752 -4.400) 15.747 6.163 ( -5.677 -10.400 7.380) 13.959 6.798 ( -1.029 13.424 -4.085) 14.069 7.208 ( 5.789 -1.096 -9.069) 10.815 7.709 ( -1.309 13.525 -3.589) 14.054 8.097 ( 2.465 7.032 12.587) 14.627 8.193 ( 0.099 4.821 0.606) 4.860 8.416 ( -8.749 6.746 2.512) 11.330 8.579 ( 2.420 8.051 -4.546) 9.557 8.799 ( -4.717 14.150 0.068) 14.916 8.853 ( 1.558 -3.731 3.313) 5.227 9.133 ( 3.277 -1.858 -2.202) 4.364 9.606 ( 3.774 -5.507 0.252) 6.681 9.828 ( 0.037 -13.847 -0.035) 13.847 11.745 ( -2.048 5.799 3.946) 7.307 12.456 ( 6.955 1.231 -1.374) 7.196 12.517 ( -4.019 -11.737 -0.907) 12.439 12.878 ( -0.881 -6.300 -6.130) 8.834 13.633 ( -0.210 4.842 5.945) 7.670 14.268 ( 2.032 -1.938 -0.133) 2.811 14.356 ( 1.259 -0.575 2.146) 2.554 14.491 ( -3.878 -7.998 -3.858) 9.690 ======================= Grid point 119 (77/156) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -16.940 6.430 -3.834) 18.521 2.171 ( -7.117 7.569 -4.720) 11.411 2.440 ( -11.000 6.402 -9.486) 15.873 2.746 ( -7.219 7.250 -9.863) 14.211 2.945 ( -7.337 12.546 5.440) 15.519 3.185 ( 2.850 -4.138 7.094) 8.693 3.327 ( 7.371 -8.134 -0.638) 10.995 3.614 ( 1.543 2.735 5.746) 6.548 3.912 ( 0.610 6.835 2.039) 7.159 4.425 ( 1.292 -5.062 4.772) 7.076 4.643 ( 6.791 -0.696 -2.256) 7.189 4.907 ( 5.209 2.698 -3.121) 6.645 5.017 ( 1.151 -10.923 1.329) 11.063 5.245 ( -1.795 -9.885 -1.393) 10.143 5.827 ( 12.568 -11.013 3.396) 17.052 6.295 ( 0.072 4.812 5.090) 7.005 6.621 ( -2.783 11.629 3.978) 12.601 6.812 ( -8.154 3.423 -9.345) 12.866 7.778 ( -12.570 7.496 -7.518) 16.453 7.926 ( 2.967 1.899 5.098) 6.197 8.174 ( -10.026 1.365 8.527) 13.232 8.292 ( -9.766 6.278 15.218) 19.141 8.677 ( 2.763 5.558 -4.818) 7.857 8.713 ( 6.028 3.510 -5.296) 8.758 8.918 ( -1.403 1.668 -1.373) 2.576 8.962 ( -3.313 -3.399 -2.773) 5.497 9.737 ( 6.801 -7.745 -11.576) 15.500 10.036 ( 9.317 -10.098 -0.013) 13.740 11.906 ( -0.456 -1.529 7.231) 7.405 12.244 ( -6.940 -3.482 -0.416) 7.776 12.711 ( 8.052 -3.882 -0.188) 8.941 12.938 ( 9.933 0.444 -5.606) 11.414 13.626 ( -2.727 -0.053 -1.842) 3.291 14.198 ( 0.311 0.010 -3.474) 3.488 14.293 ( -1.305 2.033 -1.395) 2.789 14.710 ( 4.343 -5.720 9.833) 12.177 ======================= Grid point 121 (78/156) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 6.354 8.275 0.000) 10.433 2.173 ( 23.421 5.922 -0.000) 24.158 2.266 ( 11.512 6.285 -0.000) 13.116 2.806 ( -7.326 16.253 0.000) 17.828 2.972 ( 1.078 -3.978 -0.000) 4.122 3.352 ( -2.764 17.235 0.000) 17.455 3.428 ( 2.510 -7.296 -0.000) 7.715 3.718 ( -13.561 1.735 0.000) 13.671 4.004 ( -0.341 6.401 0.000) 6.410 4.454 ( 1.133 -15.527 -0.000) 15.569 4.561 ( -0.353 -12.421 -0.000) 12.426 4.797 ( -10.727 4.340 0.000) 11.572 4.934 ( -3.754 -6.803 -0.000) 7.770 5.629 ( -12.496 5.922 0.000) 13.829 5.913 ( -15.154 -11.609 0.000) 19.089 6.175 ( 18.229 13.916 -0.000) 22.934 6.700 ( -6.706 5.708 0.000) 8.806 7.165 ( 13.710 14.066 0.000) 19.642 7.228 ( 8.614 -4.180 -0.000) 9.574 7.823 ( 13.005 -11.744 -0.000) 17.523 7.985 ( 9.152 -8.919 -0.000) 12.779 8.293 ( 5.084 -11.122 -0.000) 12.229 8.689 ( 8.069 12.697 0.000) 15.044 8.813 ( -3.343 -3.407 -0.000) 4.773 8.893 ( 3.759 9.861 0.000) 10.553 9.038 ( -4.345 2.538 0.000) 5.032 9.534 ( -4.565 -0.093 0.000) 4.566 10.102 ( -10.603 -2.630 0.000) 10.924 12.109 ( -0.068 -3.757 -0.000) 3.758 12.298 ( 14.737 -11.538 -0.000) 18.716 12.605 ( -18.779 7.959 0.000) 20.396 12.676 ( -2.393 -1.945 0.000) 3.084 13.780 ( -0.679 5.581 0.000) 5.623 14.132 ( -3.046 0.317 0.000) 3.063 14.277 ( 1.362 2.893 0.000) 3.198 14.912 ( -6.908 -8.901 -0.000) 11.267 ======================= Grid point 122 (79/156) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 6.391 5.296 9.666) 12.741 2.450 ( 5.078 9.808 0.888) 11.080 2.625 ( 7.041 0.986 -1.415) 7.249 2.812 ( -6.989 -3.292 3.547) 8.501 3.006 ( 5.501 7.706 2.978) 9.926 3.159 ( -9.882 8.759 0.301) 13.208 3.419 ( 3.734 -0.913 -4.310) 5.775 3.666 ( 0.429 -3.164 3.127) 4.469 3.920 ( -4.712 -2.848 -5.610) 7.860 4.251 ( -0.963 -17.418 -6.951) 18.779 4.464 ( -8.778 2.614 5.148) 10.507 4.683 ( 1.532 -9.855 2.492) 10.280 4.846 ( 5.258 6.578 6.464) 10.616 5.343 ( -5.291 0.146 -1.421) 5.481 5.573 ( 1.997 -7.190 -8.873) 11.594 6.125 ( -14.587 -2.290 3.092) 15.086 7.003 ( 14.011 9.089 -4.779) 17.371 7.251 ( 7.766 4.980 -14.681) 17.339 7.858 ( 5.962 4.287 14.787) 16.510 8.005 ( 0.809 -1.993 -4.291) 4.800 8.255 ( -6.601 3.327 -0.738) 7.429 8.475 ( 3.108 -7.787 11.732) 14.420 8.756 ( 4.170 0.657 -3.396) 5.418 8.819 ( 0.918 9.900 -3.744) 10.624 8.946 ( 4.111 2.126 1.621) 4.904 9.114 ( 2.689 11.017 -0.746) 11.365 9.439 ( -0.624 -3.720 1.561) 4.082 9.679 ( -9.207 -9.318 0.265) 13.102 11.977 ( -7.035 6.740 -2.862) 10.154 12.218 ( 1.105 -8.682 1.830) 8.941 12.560 ( -2.201 1.281 -1.154) 2.795 12.717 ( 3.360 -10.136 1.895) 10.845 13.726 ( 0.279 10.386 0.681) 10.412 14.114 ( 1.096 -3.883 2.371) 4.680 14.316 ( 0.609 0.613 0.255) 0.901 14.568 ( -7.888 -7.629 -3.777) 11.605 ======================= Grid point 123 (80/156) ======================= q-point: ( 0.10 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -3.543 6.198 3.677) 8.031 2.461 ( -7.152 1.838 -0.596) 7.408 2.750 ( 3.532 -3.903 1.430) 5.455 2.892 ( 10.772 -7.712 1.875) 13.380 3.082 ( -9.245 9.911 -6.400) 14.989 3.215 ( -6.524 6.543 0.007) 9.240 3.391 ( -4.918 8.256 -5.399) 11.023 3.472 ( -1.746 1.398 7.100) 7.444 3.686 ( 8.262 -1.545 8.213) 11.752 4.257 ( 5.245 -11.982 -2.721) 13.360 4.498 ( -0.481 -2.083 2.874) 3.581 4.768 ( 3.177 -5.793 -2.527) 7.073 5.115 ( 1.744 -2.079 -2.049) 3.400 5.302 ( 8.054 -6.095 3.547) 10.705 5.378 ( -7.879 4.722 -7.021) 11.562 6.033 ( 9.411 -2.624 4.974) 10.963 6.956 ( -5.305 7.921 -4.740) 10.647 7.170 ( -4.654 -0.933 -10.393) 11.425 7.838 ( -3.756 1.080 1.776) 4.293 8.103 ( -0.382 -2.237 4.637) 5.162 8.309 ( -8.020 10.161 9.653) 16.147 8.385 ( -9.631 13.534 5.977) 17.654 8.694 ( -2.163 -9.227 2.914) 9.915 8.826 ( 2.602 5.556 -6.894) 9.229 9.014 ( -0.793 10.623 -3.315) 11.157 9.131 ( -3.458 -0.131 -3.152) 4.681 9.586 ( 4.131 -13.239 0.447) 13.876 9.653 ( 11.857 -5.520 -2.425) 13.302 11.837 ( -1.869 5.077 3.992) 6.724 12.288 ( 0.567 -4.583 -1.504) 4.856 12.516 ( 1.383 -2.197 0.920) 2.754 12.802 ( 5.029 -6.516 -2.140) 8.505 13.767 ( -1.474 7.013 -1.373) 7.296 14.223 ( 1.523 -5.215 -1.504) 5.637 14.345 ( 0.572 0.579 -1.235) 1.479 14.374 ( 2.909 -3.380 4.238) 6.152 ======================= Grid point 126 (81/156) ======================= q-point: ( 0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 10.080 6.211 -0.000) 11.840 2.449 ( 3.589 -6.670 -0.000) 7.575 2.589 ( 8.386 3.592 -0.000) 9.123 2.848 ( -7.696 6.413 0.000) 10.018 3.014 ( 8.334 4.282 -0.000) 9.369 3.323 ( 0.381 -6.167 -0.000) 6.179 3.470 ( -12.292 0.030 0.000) 12.292 3.619 ( -2.198 0.101 0.000) 2.201 3.949 ( 2.383 -7.332 -0.000) 7.709 4.175 ( -3.586 0.654 0.000) 3.645 4.282 ( -4.159 -11.973 -0.000) 12.674 4.801 ( -3.843 2.548 0.000) 4.611 4.914 ( 1.240 14.795 0.000) 14.847 5.445 ( -10.240 -6.451 0.000) 12.103 5.558 ( -6.824 0.550 0.000) 6.846 6.382 ( -16.118 -3.554 0.000) 16.505 6.879 ( 19.463 9.581 -0.000) 21.693 7.475 ( 12.628 6.086 -0.000) 14.018 7.567 ( 6.264 3.771 -0.000) 7.311 7.833 ( 13.178 -13.252 -0.000) 18.689 7.916 ( 3.215 -9.065 -0.000) 9.618 8.256 ( 12.981 -9.052 -0.000) 15.825 8.656 ( -7.142 -0.712 0.000) 7.177 9.032 ( 1.169 3.875 0.000) 4.047 9.105 ( 4.648 -0.383 -0.000) 4.663 9.117 ( 3.684 13.474 0.000) 13.969 9.457 ( -5.626 1.539 0.000) 5.832 9.857 ( -13.862 2.929 0.000) 14.168 11.941 ( -0.892 -10.419 -0.000) 10.457 12.289 ( 3.766 -6.584 -0.000) 7.584 12.489 ( -7.538 6.648 0.000) 10.051 12.709 ( -1.469 7.030 0.000) 7.182 13.927 ( 1.513 9.556 0.000) 9.675 14.046 ( -4.488 -2.862 0.000) 5.323 14.328 ( -0.016 1.334 0.000) 1.334 14.592 ( -7.124 -8.989 -0.000) 11.470 ======================= Grid point 127 (82/156) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -4.310 -9.136 4.056) 10.885 2.444 ( 4.310 9.136 4.056) 10.885 2.674 ( -3.820 -4.881 -2.164) 6.565 2.674 ( 3.820 4.881 -2.164) 6.565 3.315 ( -2.704 -7.248 4.610) 9.005 3.315 ( 2.704 7.248 4.610) 9.005 3.371 ( -6.629 -10.047 4.005) 12.686 3.371 ( 6.629 10.047 4.005) 12.686 3.983 ( 5.059 -14.858 -10.474) 18.869 3.983 ( -5.059 14.858 -10.474) 18.869 4.502 ( 1.290 -8.335 7.022) 10.975 4.502 ( -1.290 8.335 7.022) 10.975 5.115 ( -6.968 -7.228 -1.258) 10.118 5.115 ( 6.968 7.228 -1.258) 10.118 5.760 ( -12.600 -5.254 -1.419) 13.725 5.760 ( 12.600 5.254 -1.419) 13.725 7.317 ( -2.724 -4.499 -12.496) 13.558 7.317 ( 2.724 4.499 -12.496) 13.558 7.949 ( -0.929 -4.180 4.928) 6.529 7.949 ( 0.929 4.180 4.928) 6.529 8.345 ( 3.474 -12.317 8.516) 15.373 8.345 ( -3.474 12.317 8.516) 15.373 8.839 ( 8.075 -8.894 -1.154) 12.068 8.839 ( -8.075 8.894 -1.154) 12.068 9.211 ( -1.955 -9.667 -0.332) 9.868 9.211 ( 1.955 9.667 -0.332) 9.868 9.396 ( -1.176 -5.267 -1.354) 5.564 9.396 ( 1.176 5.267 -1.354) 5.564 12.045 ( 4.064 -11.135 0.054) 11.854 12.045 ( -4.064 11.135 0.054) 11.854 12.607 ( 2.403 -6.592 -0.027) 7.016 12.607 ( -2.403 6.592 -0.027) 7.016 13.973 ( -1.098 -11.338 1.089) 11.443 13.973 ( 1.098 11.338 1.089) 11.443 14.359 ( -2.791 -2.300 -1.158) 3.797 14.359 ( 2.791 2.300 -1.158) 3.797 ======================= Grid point 129 (83/156) ======================= q-point: ( 0.10 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -11.589 1.687 1.600) 11.820 2.375 ( -8.892 1.759 0.679) 9.090 2.690 ( 0.388 -6.933 7.477) 10.204 2.844 ( -12.328 2.752 -5.558) 13.800 3.026 ( 13.163 -2.989 3.022) 13.832 3.269 ( -3.848 2.736 -1.116) 4.851 3.358 ( -2.715 -0.509 -15.286) 15.533 3.642 ( 6.906 8.961 0.930) 11.352 3.836 ( 5.681 -13.191 3.212) 14.717 4.267 ( 9.631 7.151 9.184) 15.107 4.535 ( 0.562 5.027 0.830) 5.126 4.716 ( 3.795 -6.916 1.875) 8.109 5.030 ( -4.693 -1.142 6.792) 8.335 5.314 ( 0.263 2.406 -10.057) 10.344 5.497 ( 15.233 0.481 -0.021) 15.241 6.297 ( 13.055 1.527 -6.650) 14.731 6.777 ( -14.136 -5.155 -1.218) 15.096 7.111 ( -1.964 -1.951 -0.260) 2.780 7.667 ( -13.126 4.109 1.032) 13.793 8.073 ( -5.371 -1.594 8.172) 9.909 8.297 ( -12.255 9.310 -2.619) 15.612 8.336 ( -11.476 4.955 9.849) 15.914 8.568 ( 3.964 -3.932 -2.663) 6.186 8.858 ( -9.440 -8.170 -6.693) 14.165 8.930 ( 0.308 -1.057 -4.571) 4.701 9.110 ( -1.020 0.408 -0.308) 1.141 9.572 ( 6.567 -0.931 3.907) 7.698 9.843 ( 13.416 -0.402 -1.318) 13.487 11.824 ( -3.844 2.206 -4.549) 6.352 12.411 ( -0.569 10.363 3.596) 10.983 12.501 ( 9.826 -6.333 0.722) 11.712 12.779 ( 2.980 -4.687 4.358) 7.060 13.744 ( -2.521 -2.085 -6.115) 6.935 14.228 ( 3.020 -1.283 4.345) 5.444 14.354 ( 0.517 -2.330 1.853) 3.021 14.493 ( 7.128 5.784 -3.658) 9.882 ======================= Grid point 131 (84/156) ======================= q-point: ( 0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 35.736 -0.571 7.293) 36.477 1.831 ( 6.012 -4.887 -5.989) 9.793 2.336 ( 5.423 13.664 -9.094) 17.287 2.825 ( 0.442 -7.211 -4.230) 8.372 3.232 ( 0.581 -4.911 3.823) 6.251 3.478 ( -5.452 5.819 1.260) 8.073 3.645 ( -12.236 7.951 5.028) 15.435 3.919 ( -2.548 -12.993 3.115) 13.602 4.037 ( -4.440 6.218 -2.939) 8.186 4.165 ( -0.089 1.675 1.011) 1.958 4.545 ( -5.804 -5.099 -6.482) 10.085 4.821 ( 3.108 -7.123 -6.785) 10.317 5.125 ( -13.111 3.921 0.849) 13.711 5.801 ( -4.534 0.656 17.240) 17.839 6.026 ( -8.675 -5.492 0.426) 10.276 6.132 ( 13.448 12.856 -2.055) 18.718 6.801 ( -0.197 -4.756 2.156) 5.225 7.031 ( -1.108 10.691 -2.225) 10.976 7.183 ( 2.696 -0.866 0.523) 2.880 7.515 ( 10.914 -3.634 -2.656) 11.806 7.657 ( 10.679 -10.617 -9.413) 17.758 8.021 ( 2.074 -9.911 -1.575) 10.247 8.606 ( 9.072 5.250 4.665) 11.472 8.739 ( 4.418 -2.125 -2.418) 5.466 9.013 ( -2.964 6.388 6.498) 9.582 9.164 ( -2.313 3.114 1.926) 4.331 9.678 ( -2.647 4.095 -4.548) 6.667 10.279 ( -6.777 3.654 1.727) 7.891 11.820 ( 7.259 -4.055 3.733) 9.114 12.138 ( -1.511 -5.169 -4.238) 6.853 12.712 ( 0.792 3.791 0.023) 3.873 13.088 ( -15.388 4.540 -2.144) 16.186 13.787 ( 4.437 1.765 2.178) 5.248 14.241 ( -1.436 0.975 -3.310) 3.737 14.321 ( 0.207 2.762 -0.244) 2.780 14.795 ( -4.121 -9.696 3.448) 11.085 ======================= Grid point 132 (85/156) ======================= q-point: ( 0.10 -0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -0.272 -8.847 -0.000) 8.851 2.419 ( 9.683 6.760 -0.000) 11.809 2.599 ( 1.020 -13.658 -0.000) 13.696 2.892 ( -7.980 10.550 0.000) 13.229 3.153 ( -3.861 -17.995 -0.000) 18.404 3.242 ( -5.217 2.102 0.000) 5.624 3.342 ( 4.431 4.613 0.000) 6.396 3.376 ( 3.533 3.005 -0.000) 4.638 3.873 ( 9.210 -9.975 -0.000) 13.577 4.012 ( -5.833 -4.446 0.000) 7.334 4.513 ( 4.884 19.987 0.000) 20.575 4.833 ( -7.998 8.994 0.000) 12.036 5.133 ( -9.218 -6.661 0.000) 11.373 5.213 ( 1.316 10.926 0.000) 11.005 5.550 ( 6.089 0.376 -0.000) 6.101 5.998 ( -11.805 -3.456 0.000) 12.301 7.332 ( 12.570 2.581 -0.000) 12.832 7.513 ( -2.902 -10.129 -0.000) 10.537 7.769 ( 9.774 -2.799 -0.000) 10.167 7.780 ( -2.239 -6.264 -0.000) 6.652 7.902 ( 12.647 0.034 -0.000) 12.647 8.308 ( 12.155 -16.752 -0.000) 20.697 8.642 ( -2.905 11.697 0.000) 12.053 9.000 ( -2.190 -11.212 -0.000) 11.424 9.071 ( -0.888 -1.173 -0.000) 1.471 9.223 ( -2.755 -5.491 -0.000) 6.144 9.544 ( -2.359 17.504 0.000) 17.662 9.714 ( -11.713 6.362 0.000) 13.329 11.751 ( 1.920 -9.591 -0.000) 9.782 12.315 ( 2.324 4.711 0.000) 5.253 12.500 ( -2.706 3.414 0.000) 4.356 12.845 ( -2.561 11.225 0.000) 11.514 13.803 ( -6.380 -11.146 -0.000) 12.843 14.170 ( 0.745 10.145 0.000) 10.172 14.358 ( 2.745 1.894 -0.000) 3.335 14.381 ( -2.877 -2.584 0.000) 3.867 ======================= Grid point 137 (86/156) ======================= q-point: ( 0.10 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 18.326 -3.321 1.695) 18.701 2.049 ( 18.090 -3.173 -1.597) 18.436 2.548 ( 3.845 -3.469 -6.213) 8.088 2.700 ( 4.405 -5.633 0.853) 7.201 3.171 ( 2.453 -4.941 6.136) 8.251 3.379 ( -5.166 -2.713 -0.643) 5.870 3.497 ( -10.453 -1.156 -1.078) 10.572 3.618 ( -6.147 -7.601 1.405) 9.876 3.882 ( -10.602 -5.312 -5.344) 13.007 4.272 ( -1.478 4.224 -1.208) 4.635 4.395 ( -0.850 6.628 -5.027) 8.362 4.762 ( 5.014 -3.060 -2.963) 6.579 5.215 ( -4.040 16.267 5.106) 17.522 5.471 ( -9.577 -9.872 5.180) 14.697 5.842 ( -11.285 4.194 4.373) 12.809 6.403 ( -6.717 -11.382 -0.388) 13.222 6.728 ( 10.207 3.768 3.446) 11.413 7.191 ( 4.598 -2.088 10.045) 11.242 7.360 ( 12.154 8.875 -3.245) 15.395 7.595 ( 11.251 -15.054 -15.274) 24.218 7.787 ( 14.458 -3.435 -2.599) 15.086 7.914 ( 1.808 -3.983 -5.883) 7.331 8.700 ( 2.170 -0.993 -0.616) 2.464 8.944 ( 10.320 2.424 3.472) 11.155 9.052 ( -3.270 2.413 5.602) 6.921 9.152 ( -2.820 -1.541 3.231) 4.557 9.772 ( -5.482 14.711 -1.665) 15.787 10.200 ( -12.698 7.426 2.486) 14.919 11.818 ( -2.569 -2.967 2.387) 4.593 12.060 ( 7.648 -4.612 -4.543) 10.020 12.831 ( -8.528 6.386 1.624) 10.777 12.924 ( -5.268 8.000 -2.995) 10.036 13.896 ( 1.709 1.739 7.709) 8.085 14.213 ( -2.452 0.572 -5.710) 6.241 14.363 ( 0.083 1.131 -1.473) 1.859 14.502 ( -4.561 -9.639 1.033) 10.713 ======================= Grid point 138 (87/156) ======================= q-point: ( 0.10 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -2.442 -30.256 -0.000) 30.354 2.145 ( -3.991 -3.051 0.000) 5.024 2.595 ( -5.591 -18.873 -0.000) 19.684 2.684 ( 4.597 2.116 -0.000) 5.060 2.985 ( -1.310 3.686 0.000) 3.912 3.234 ( -11.038 12.869 0.000) 16.955 3.613 ( 3.602 9.722 0.000) 10.368 3.613 ( 8.736 4.086 -0.000) 9.644 3.955 ( 0.753 4.528 0.000) 4.590 4.007 ( 18.506 -1.917 -0.000) 18.605 4.779 ( -8.128 -8.201 -0.000) 11.546 4.844 ( -14.013 12.126 0.000) 18.531 4.902 ( 1.464 11.081 0.000) 11.178 5.329 ( -0.490 4.180 0.000) 4.209 5.786 ( 13.967 0.782 -0.000) 13.989 5.956 ( -2.420 13.312 0.000) 13.530 7.113 ( -12.146 -16.351 -0.000) 20.368 7.355 ( 1.732 -12.597 -0.000) 12.716 7.604 ( -4.658 -4.903 -0.000) 6.763 7.956 ( 12.169 0.936 -0.000) 12.205 8.145 ( 6.284 2.835 -0.000) 6.894 8.171 ( 9.311 -16.774 -0.000) 19.184 8.699 ( -1.621 -11.664 -0.000) 11.776 8.841 ( -0.171 -16.945 -0.000) 16.946 8.846 ( -2.739 10.999 0.000) 11.335 9.134 ( -6.632 3.584 0.000) 7.539 9.597 ( -9.521 2.303 0.000) 9.796 9.836 ( 0.076 14.658 0.000) 14.658 11.664 ( 5.975 -7.412 -0.000) 9.521 12.473 ( -2.753 -0.798 0.000) 2.867 12.535 ( 1.611 11.596 0.000) 11.707 13.034 ( -3.325 13.847 0.000) 14.241 13.491 ( -1.164 -10.768 -0.000) 10.830 14.220 ( -3.661 1.826 0.000) 4.091 14.331 ( -1.399 0.061 0.000) 1.400 14.602 ( 8.375 8.348 -0.000) 11.825 ======================= Grid point 141 (88/156) ======================= q-point: ( 0.10 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 26.940 0.538 12.210) 29.583 1.797 ( 9.611 -3.001 -1.504) 10.181 2.528 ( -8.970 -13.490 -8.214) 18.163 2.627 ( -0.127 -16.887 -7.300) 18.398 2.712 ( 6.410 -8.217 8.806) 13.644 3.262 ( 3.415 -13.742 -3.967) 14.705 3.467 ( -5.486 1.817 2.581) 6.329 3.754 ( 5.662 -6.432 12.923) 15.506 3.935 ( -6.946 -2.266 1.143) 7.395 4.538 ( 4.544 0.062 -7.834) 9.056 4.595 ( -8.222 7.115 -3.804) 11.519 4.777 ( -4.063 0.149 -6.571) 7.727 5.201 ( -4.878 -4.621 5.122) 8.449 5.545 ( -5.155 10.736 0.325) 11.914 5.851 ( 8.149 -5.493 -5.389) 11.208 6.298 ( 5.463 -1.931 9.651) 11.257 6.468 ( -2.092 -10.172 -0.671) 10.407 7.088 ( -4.341 -6.204 1.430) 7.706 7.299 ( 5.486 3.159 3.845) 7.407 7.538 ( 7.057 -7.988 -19.047) 21.827 7.749 ( 0.109 11.632 -6.951) 13.551 7.847 ( 5.973 -2.248 1.479) 6.551 8.613 ( 5.536 -1.733 -2.178) 6.196 8.796 ( 5.146 2.003 -1.527) 5.729 9.006 ( -1.039 1.291 8.789) 8.944 9.140 ( -4.552 -1.178 3.385) 5.794 10.156 ( -3.927 19.023 5.532) 20.196 10.505 ( -8.834 10.338 6.489) 15.067 11.858 ( 1.036 8.053 0.776) 8.157 11.992 ( -1.482 -4.031 -3.295) 5.413 13.020 ( 0.548 9.877 1.322) 9.980 13.223 ( -9.119 1.381 -0.470) 9.235 13.703 ( 2.420 -2.562 6.022) 6.977 14.233 ( 1.963 -3.324 0.669) 3.918 14.291 ( -0.073 -4.871 2.827) 5.632 14.566 ( -1.679 -3.755 -12.602) 13.256 ======================= Grid point 142 (89/156) ======================= q-point: ( 0.10 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 3.977 -8.428 -1.476) 9.436 2.246 ( 9.702 -6.959 0.199) 11.941 2.371 ( 5.458 -10.490 -11.302) 16.357 2.752 ( 10.545 -16.678 -0.314) 19.734 3.053 ( 3.905 -4.488 7.921) 9.906 3.283 ( 1.313 -7.707 3.348) 8.505 3.375 ( -7.358 11.570 1.221) 13.766 3.535 ( -3.411 7.446 1.865) 8.400 3.641 ( -2.677 0.513 -8.937) 9.344 4.212 ( -4.452 1.910 -4.112) 6.355 4.721 ( 5.167 11.965 -0.485) 13.042 4.907 ( 6.559 2.884 -0.081) 7.166 5.189 ( -2.212 -4.510 -2.438) 5.584 5.350 ( -6.424 3.200 9.950) 12.269 5.746 ( -11.964 9.918 -0.662) 15.554 6.089 ( -5.115 -1.604 -1.177) 5.488 6.788 ( 7.990 -13.628 12.569) 20.188 7.341 ( 6.648 0.998 14.578) 16.054 7.499 ( 10.726 -15.156 -22.971) 29.537 7.730 ( 9.531 2.685 -2.627) 10.244 7.859 ( 8.476 -7.971 -3.526) 12.158 7.934 ( 3.646 0.478 -7.629) 8.469 8.758 ( 1.494 -0.971 -1.242) 2.172 8.902 ( -3.389 -14.706 4.177) 15.658 8.967 ( -6.922 1.184 4.436) 8.306 9.144 ( 4.120 2.559 2.294) 5.365 9.999 ( -6.800 19.057 1.322) 20.277 10.067 ( -15.250 6.358 2.544) 16.717 11.670 ( -3.362 -4.391 -4.272) 6.988 12.247 ( 8.745 5.475 -0.064) 10.318 12.719 ( -7.879 3.634 0.183) 8.679 13.094 ( -2.120 11.460 2.217) 11.863 13.739 ( -8.635 -9.055 3.438) 12.976 14.294 ( 5.358 4.188 0.316) 6.808 14.343 ( -1.127 -2.752 -0.667) 3.048 14.380 ( 0.359 1.782 -3.683) 4.107 ======================= Grid point 143 (90/156) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -1.704 -38.441 -0.000) 38.478 1.877 ( -14.823 -5.898 0.000) 15.953 2.238 ( 0.550 -13.337 -0.000) 13.349 2.691 ( -7.647 3.465 0.000) 8.395 3.101 ( 6.620 3.584 -0.000) 7.527 3.225 ( -13.223 9.437 0.000) 16.246 3.708 ( -6.813 0.335 0.000) 6.822 3.823 ( 1.094 7.825 0.000) 7.901 4.107 ( -1.826 2.881 0.000) 3.410 4.423 ( -5.251 -4.245 0.000) 6.752 4.446 ( 20.218 5.906 -0.000) 21.063 4.969 ( 2.222 -3.383 -0.000) 4.047 4.980 ( -2.266 11.649 0.000) 11.867 5.497 ( -1.893 13.636 0.000) 13.767 5.987 ( 8.074 -3.962 -0.000) 8.994 6.304 ( 2.322 21.021 0.000) 21.149 6.525 ( -12.980 -13.995 -0.000) 19.087 7.015 ( -6.789 -16.590 -0.000) 17.925 7.418 ( -4.914 -5.312 -0.000) 7.236 8.041 ( 8.788 -15.213 -0.000) 17.569 8.135 ( 0.668 -10.239 -0.000) 10.260 8.204 ( 11.823 -2.655 -0.000) 12.117 8.513 ( 1.201 -7.148 -0.000) 7.248 8.602 ( 0.958 -5.734 -0.000) 5.813 8.991 ( -4.291 10.965 0.000) 11.774 9.069 ( -5.798 2.728 0.000) 6.408 9.481 ( -3.836 1.166 0.000) 4.010 10.101 ( 2.831 10.116 0.000) 10.504 11.690 ( 9.205 -5.206 -0.000) 10.575 12.323 ( -7.522 -3.074 0.000) 8.126 12.789 ( 5.387 6.850 0.000) 8.715 13.197 ( -5.616 10.725 0.000) 12.107 13.412 ( 3.950 -1.132 -0.000) 4.109 14.183 ( -2.272 0.894 0.000) 2.441 14.292 ( -2.648 -0.679 0.000) 2.734 14.906 ( 7.838 6.708 -0.000) 10.317 ======================= Grid point 146 (91/156) ======================= q-point: ( 0.10 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 17.288 -3.313 6.490) 18.761 1.898 ( 8.369 -14.356 4.199) 17.140 2.172 ( 6.072 -9.388 -4.418) 12.022 2.290 ( 9.190 -12.807 -6.523) 17.060 2.760 ( 10.746 -3.448 1.470) 11.381 3.023 ( -0.526 -10.578 -2.504) 10.883 3.512 ( 0.232 2.251 6.710) 7.082 3.738 ( -2.872 -1.778 -1.582) 3.731 3.795 ( 0.286 2.881 11.796) 12.146 4.389 ( -7.455 -0.572 -10.693) 13.048 4.771 ( 3.731 0.363 4.276) 5.686 4.857 ( 5.646 7.147 -5.301) 10.539 5.115 ( -3.669 5.721 2.787) 7.345 5.513 ( -3.223 -4.854 -11.711) 13.080 6.051 ( 4.411 10.776 -3.310) 12.105 6.206 ( 2.638 -14.781 -2.457) 15.214 6.260 ( -7.065 0.759 9.088) 11.536 6.935 ( 3.173 -8.251 8.726) 12.421 7.468 ( 10.222 -4.824 -5.326) 12.495 7.549 ( 7.101 -2.211 -12.381) 14.443 7.830 ( 1.667 -5.727 -1.184) 6.081 8.030 ( 3.705 10.391 -5.810) 12.468 8.589 ( -1.701 -11.417 0.729) 11.566 8.799 ( -1.226 -2.298 -3.751) 4.566 9.012 ( -5.022 0.304 6.397) 8.139 9.077 ( 2.255 4.345 5.236) 7.168 10.387 ( -13.981 15.342 10.837) 23.416 10.449 ( -10.643 9.589 3.306) 14.703 11.807 ( -4.931 -0.709 -5.103) 7.131 12.246 ( 8.756 11.981 0.251) 14.842 12.909 ( -11.613 -2.362 0.990) 11.892 13.254 ( -4.667 6.232 5.812) 9.716 13.646 ( -0.677 -2.315 3.314) 4.099 14.203 ( 2.631 -2.991 1.652) 4.313 14.241 ( 2.961 -2.702 1.652) 4.336 14.542 ( 3.763 -1.206 -13.467) 14.034 ======================= Grid point 147 (92/156) ======================= q-point: ( 0.10 0.70 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -5.729 -31.108 -7.163) 32.432 2.081 ( 4.801 -12.145 -1.652) 13.163 2.493 ( -3.676 -8.771 -15.951) 18.570 2.615 ( 8.968 2.648 -3.066) 9.841 3.118 ( 0.119 1.087 6.805) 6.892 3.290 ( 7.960 -1.195 7.846) 11.240 3.553 ( 4.168 3.163 1.405) 5.418 3.609 ( 5.476 12.292 7.717) 15.512 3.909 ( 2.485 15.025 -4.271) 15.817 4.222 ( 0.355 4.011 -8.064) 9.014 4.783 ( -4.526 -4.427 -0.299) 6.339 4.959 ( -2.373 -4.935 -5.085) 7.473 5.200 ( -6.916 7.627 4.199) 11.119 5.350 ( 7.384 6.052 10.732) 14.364 5.762 ( -3.263 9.837 -4.942) 11.482 6.240 ( 2.213 15.546 1.120) 15.743 6.599 ( 4.212 -18.394 12.416) 22.588 7.261 ( 5.009 -18.565 -10.935) 22.121 7.469 ( -1.179 -1.874 5.853) 6.257 7.739 ( 1.804 -7.066 -4.575) 8.610 7.885 ( 10.777 -4.679 -6.980) 13.666 8.122 ( 2.602 -1.236 -3.133) 4.256 8.494 ( 0.121 -15.205 1.516) 15.281 8.584 ( -5.981 -6.410 -0.436) 8.778 9.015 ( -1.377 6.326 4.882) 8.108 9.231 ( 0.590 1.494 1.030) 1.908 9.864 ( -14.113 2.684 1.126) 14.410 10.186 ( -7.478 14.294 2.005) 16.256 11.564 ( -0.904 -1.902 -4.518) 4.984 12.467 ( 1.846 1.958 0.280) 2.706 12.684 ( -1.347 1.515 0.127) 2.031 13.206 ( -3.877 6.837 9.460) 12.299 13.515 ( -2.969 1.589 -6.131) 6.995 14.277 ( -0.543 -2.558 -1.679) 3.107 14.356 ( -0.318 0.356 0.234) 0.531 14.577 ( 7.225 6.267 0.281) 9.569 ======================= Grid point 148 (93/156) ======================= q-point: ( 0.10 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -0.463 -34.101 -0.000) 34.104 1.409 ( -20.592 -6.503 0.000) 21.594 2.131 ( 5.816 -4.219 -0.000) 7.185 2.569 ( -19.292 10.909 0.000) 22.163 3.094 ( -18.408 7.445 0.000) 19.857 3.252 ( -24.061 -15.926 0.000) 28.854 3.332 ( 9.457 3.270 -0.000) 10.007 3.908 ( -10.003 -0.467 0.000) 10.014 3.933 ( -2.816 4.655 0.000) 5.440 4.422 ( -2.881 -5.972 -0.000) 6.631 4.897 ( 11.670 3.585 -0.000) 12.208 4.988 ( 11.445 -2.538 -0.000) 11.723 5.080 ( 5.678 2.487 -0.000) 6.199 5.710 ( -5.285 15.485 0.000) 16.362 5.950 ( 6.591 -9.818 -0.000) 11.825 6.339 ( -3.257 7.779 0.000) 8.434 6.469 ( -10.869 -15.427 -0.000) 18.871 6.811 ( 4.065 17.049 0.000) 17.527 7.202 ( -6.490 -6.328 0.000) 9.064 7.763 ( -4.444 -18.924 -0.000) 19.439 7.920 ( 6.870 -12.933 -0.000) 14.645 8.410 ( -2.842 -3.325 -0.000) 4.374 8.413 ( 11.341 0.013 -0.000) 11.341 8.611 ( 1.340 1.935 0.000) 2.354 9.023 ( -2.762 0.505 0.000) 2.808 9.124 ( 0.870 7.312 0.000) 7.364 9.556 ( 3.713 5.988 0.000) 7.046 10.319 ( 4.648 5.013 0.000) 6.836 11.820 ( 10.519 -0.565 -0.000) 10.534 12.128 ( -6.125 -2.766 0.000) 6.720 13.001 ( 9.219 1.179 -0.000) 9.294 13.196 ( -7.445 2.082 0.000) 7.730 13.520 ( 1.883 4.839 0.000) 5.192 14.167 ( -1.538 0.761 0.000) 1.716 14.191 ( -5.237 -2.092 0.000) 5.639 15.145 ( 6.325 4.083 -0.000) 7.528 ======================= Grid point 150 (94/156) ======================= q-point: ( 0.10 0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 26.612 1.846 15.630) 30.918 1.220 ( 5.696 -24.968 12.760) 28.613 1.888 ( 3.990 -8.426 15.400) 18.002 2.182 ( 4.263 -4.426 -10.494) 12.161 2.487 ( 8.711 -2.914 1.345) 9.284 2.645 ( 14.411 -19.650 4.763) 24.829 3.176 ( -0.472 -0.759 2.609) 2.758 3.713 ( 2.672 6.071 0.182) 6.635 3.809 ( -2.630 -4.690 0.429) 5.394 4.428 ( 2.188 -3.442 12.677) 13.317 4.908 ( -8.766 0.889 -12.763) 15.509 5.054 ( 5.082 5.639 -14.913) 16.734 5.429 ( -1.362 4.839 -6.038) 7.856 5.558 ( -1.808 -5.205 -8.879) 10.450 6.078 ( -4.807 -4.172 -7.519) 9.851 6.195 ( 8.907 6.294 -2.053) 11.097 6.269 ( -5.003 8.848 8.736) 13.403 6.593 ( 4.467 -15.646 -4.128) 16.786 7.370 ( -0.920 5.290 8.124) 9.738 7.559 ( 4.556 -5.985 3.937) 8.490 7.682 ( 4.571 -4.738 -15.746) 17.067 8.243 ( -2.215 4.937 3.010) 6.192 8.454 ( 3.713 -6.265 -2.063) 7.569 8.883 ( -3.579 1.473 -0.356) 3.887 8.949 ( -1.921 1.804 7.966) 8.390 9.074 ( 1.065 0.156 -5.818) 5.917 10.650 ( -4.559 5.322 5.886) 9.152 10.786 ( -20.386 18.904 16.048) 32.101 11.981 ( -8.151 3.641 1.281) 9.019 12.325 ( 6.683 11.202 0.482) 13.053 12.949 ( -7.608 -6.678 6.568) 12.067 13.389 ( -8.442 5.824 2.937) 10.668 13.600 ( 2.811 2.597 0.055) 3.827 13.986 ( 5.249 -6.804 2.507) 8.952 14.140 ( 2.088 -1.892 -0.420) 2.849 14.599 ( 12.262 -11.239 -19.135) 25.354 ======================= Grid point 151 (95/156) ======================= q-point: ( 0.10 0.50 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -4.555 -29.031 -2.636) 29.504 1.790 ( 3.880 -8.833 -2.154) 9.885 2.501 ( 17.800 3.859 3.468) 18.541 2.587 ( 18.328 1.808 -10.323) 21.113 2.850 ( -0.246 -4.637 -7.234) 8.597 3.051 ( 14.886 5.311 8.359) 17.879 3.486 ( 1.314 -1.511 0.578) 2.085 3.682 ( -3.442 3.251 11.418) 12.361 3.987 ( 7.630 2.574 3.003) 8.594 4.348 ( 0.655 3.868 -5.175) 6.494 4.790 ( -3.290 -0.897 7.207) 7.973 4.965 ( -0.483 -0.812 -3.655) 3.775 5.303 ( 1.617 12.576 -0.343) 12.684 5.375 ( 1.582 -4.201 -14.121) 14.817 5.973 ( 4.941 -14.331 0.693) 15.175 6.124 ( -7.773 3.006 4.102) 9.289 6.414 ( 5.464 11.292 0.314) 12.549 6.905 ( 6.553 -3.512 7.489) 10.553 7.492 ( 3.379 -5.425 -13.794) 15.203 7.631 ( 3.843 -4.097 -1.286) 5.763 7.757 ( 4.596 -5.194 -1.163) 7.032 8.029 ( -11.416 -12.098 2.186) 16.776 8.410 ( 4.965 2.943 -9.810) 11.382 8.677 ( -7.265 -0.349 -0.265) 7.278 8.995 ( -0.460 1.553 6.880) 7.068 9.185 ( 1.546 1.834 3.662) 4.377 10.169 ( -18.493 3.337 6.145) 19.770 10.502 ( -9.699 8.514 6.216) 14.325 11.732 ( -3.841 1.536 -6.389) 7.612 12.384 ( -1.510 -9.407 1.938) 9.722 12.790 ( -4.488 7.503 0.090) 8.744 13.232 ( -3.158 6.225 8.592) 11.070 13.670 ( 0.196 1.920 -2.012) 2.789 14.194 ( 3.933 -2.799 0.650) 4.871 14.301 ( 3.431 0.402 2.941) 4.537 14.624 ( 4.649 0.160 -10.777) 11.738 ======================= Grid point 152 (96/156) ======================= q-point: ( 0.10 -0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -7.938 -24.479 -7.368) 26.768 1.926 ( 5.758 -11.205 -1.527) 12.690 2.261 ( -13.328 -1.479 -16.487) 21.252 2.765 ( 3.886 1.629 -4.483) 6.152 3.152 ( 0.806 3.952 -0.359) 4.049 3.457 ( 4.650 1.988 17.232) 17.959 3.758 ( -3.319 11.911 1.720) 12.484 3.903 ( 11.408 2.738 0.185) 11.733 4.060 ( -4.650 -0.815 1.037) 4.834 4.478 ( -1.796 2.421 0.781) 3.114 4.483 ( 1.132 0.293 -12.600) 12.655 4.795 ( 0.420 -6.680 -0.605) 6.720 5.291 ( -4.113 12.033 2.369) 12.936 5.669 ( 3.195 14.351 13.449) 19.926 5.811 ( -5.594 -7.551 -3.268) 9.949 6.330 ( 4.337 -9.579 7.570) 12.957 6.647 ( 6.495 16.076 -2.311) 17.492 6.940 ( -8.612 -8.773 -8.756) 15.093 7.354 ( -1.779 -6.549 3.566) 7.667 7.664 ( 4.356 -8.337 -4.032) 10.234 7.781 ( -0.265 -21.030 -0.395) 21.035 8.015 ( 8.734 -2.002 -0.042) 8.961 8.422 ( -1.637 -0.591 -0.455) 1.799 8.558 ( 5.368 3.235 -4.723) 7.848 9.062 ( -3.329 2.368 7.612) 8.640 9.216 ( -3.009 -0.197 1.411) 3.329 9.685 ( -7.058 1.629 -4.474) 8.514 10.274 ( -3.936 7.069 1.735) 8.275 11.578 ( 2.521 2.217 -3.070) 4.549 12.354 ( -5.013 -6.006 1.930) 8.058 12.713 ( 3.853 -1.165 0.050) 4.025 13.324 ( -1.105 6.841 5.667) 8.952 13.554 ( -1.390 4.398 -5.789) 7.401 14.242 ( -0.329 -0.197 -2.707) 2.734 14.333 ( -2.230 -0.349 -0.185) 2.264 14.813 ( 7.593 3.424 3.774) 9.145 ======================= Grid point 153 (97/156) ======================= q-point: ( 0.15 -0.15 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -6.365 35.436 0.000) 36.003 1.350 ( -22.343 0.472 0.000) 22.348 2.081 ( 8.304 -0.752 -0.000) 8.338 2.769 ( -11.092 9.733 0.000) 14.757 2.905 ( -31.210 -18.740 0.000) 36.404 3.232 ( -23.415 0.129 0.000) 23.415 3.411 ( 7.513 4.681 -0.000) 8.852 3.840 ( -7.395 -3.569 0.000) 8.211 3.969 ( -3.156 -1.187 0.000) 3.371 4.364 ( -9.461 2.054 0.000) 9.682 4.856 ( 8.277 -4.438 -0.000) 9.392 5.048 ( 14.375 5.611 -0.000) 15.431 5.068 ( 9.715 -3.365 -0.000) 10.281 5.817 ( 8.440 -2.904 -0.000) 8.926 5.959 ( -6.586 3.383 0.000) 7.404 6.209 ( -10.075 -4.183 0.000) 10.909 6.520 ( -4.435 8.700 0.000) 9.766 6.965 ( 4.336 -6.857 -0.000) 8.113 7.113 ( -5.682 -1.701 0.000) 5.931 7.574 ( -3.514 4.887 0.000) 6.019 7.748 ( 5.742 -4.003 -0.000) 7.000 8.372 ( -3.786 -0.519 0.000) 3.821 8.419 ( 11.407 0.643 -0.000) 11.425 8.652 ( 1.051 2.270 0.000) 2.502 9.003 ( -2.084 -2.576 -0.000) 3.313 9.185 ( 3.227 -0.451 -0.000) 3.259 9.661 ( 4.497 3.215 -0.000) 5.528 10.370 ( 4.051 0.166 -0.000) 4.055 11.916 ( 9.211 10.829 0.000) 14.217 12.087 ( -4.976 -1.319 0.000) 5.148 12.968 ( 11.102 -3.691 -0.000) 11.700 13.114 ( -6.522 -10.637 -0.000) 12.477 13.638 ( -0.740 5.934 0.000) 5.980 14.159 ( -5.994 -0.924 0.000) 6.065 14.174 ( -1.704 -0.093 0.000) 1.707 15.193 ( 6.335 0.608 -0.000) 6.364 ======================= Grid point 155 (98/156) ======================= q-point: ( 0.15 0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.723 -6.903 17.406) 18.739 1.127 ( 23.732 3.405 16.067) 28.861 1.857 ( 10.830 1.801 18.811) 21.781 2.252 ( 11.553 1.689 -9.166) 14.844 2.298 ( 11.813 -5.065 0.560) 12.865 2.485 ( 12.758 2.600 1.594) 13.117 3.182 ( -1.567 0.330 6.820) 7.005 3.719 ( -3.039 -3.230 0.111) 4.437 3.805 ( 4.836 2.892 -0.171) 5.637 4.400 ( 2.650 0.361 14.354) 14.601 4.945 ( -7.732 3.159 -13.172) 15.597 5.086 ( 4.266 -4.827 -18.275) 19.378 5.372 ( 5.369 0.848 -6.478) 8.457 5.629 ( -9.819 1.266 -5.408) 11.281 6.026 ( -6.107 1.708 -8.861) 10.896 6.233 ( 7.722 -7.687 -9.466) 14.433 6.314 ( -3.965 1.753 10.639) 11.488 6.503 ( 7.365 4.186 -2.014) 8.707 7.443 ( -0.322 -5.766 6.803) 8.923 7.468 ( 2.071 5.018 6.089) 8.158 7.631 ( 3.342 0.011 -15.809) 16.158 8.265 ( -5.618 -0.982 4.898) 7.518 8.410 ( 7.702 0.951 0.804) 7.802 8.917 ( -4.223 1.114 -2.515) 5.040 8.953 ( -3.533 -0.478 7.365) 8.183 9.076 ( 3.705 -0.340 -5.784) 6.878 10.695 ( -5.664 -0.131 6.280) 8.458 11.002 ( -22.720 0.508 9.403) 24.594 12.094 ( -14.962 5.207 4.596) 16.496 12.301 ( -6.623 -10.629 1.132) 12.575 12.982 ( 4.497 6.044 6.865) 10.193 13.453 ( -11.004 1.459 1.416) 11.190 13.618 ( 0.706 -3.197 0.312) 3.289 13.909 ( 8.124 1.036 2.726) 8.632 14.115 ( 4.486 -0.093 -2.175) 4.986 14.450 ( 20.760 -0.444 -15.876) 26.139 ======================= Grid point 156 (99/156) ======================= q-point: ( 0.15 0.45 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -3.247 -2.954 8.219) 9.318 1.700 ( 3.009 0.087 -3.373) 4.520 2.569 ( 19.664 3.043 0.690) 19.910 2.627 ( 10.735 2.332 -10.108) 14.928 2.733 ( 6.773 -7.863 -2.918) 10.780 3.170 ( 15.257 6.017 1.682) 16.487 3.505 ( 1.666 2.319 -1.731) 3.339 3.686 ( 3.322 -0.740 19.111) 19.412 4.010 ( 4.472 -0.640 1.288) 4.697 4.433 ( 1.112 4.915 -2.751) 5.741 4.735 ( -5.819 -5.009 3.084) 8.274 4.902 ( -0.657 -6.494 -9.955) 11.904 5.283 ( 3.856 -3.856 -6.200) 8.257 5.569 ( -2.026 11.247 -0.077) 11.429 5.731 ( 6.843 -6.982 -0.618) 9.796 6.200 ( -3.368 4.397 4.375) 7.058 6.505 ( 6.080 -0.759 2.836) 6.752 6.977 ( 9.919 9.570 1.841) 13.906 7.442 ( -3.625 -7.907 -2.226) 8.978 7.457 ( 6.103 -4.186 -14.079) 15.906 7.749 ( 1.954 3.338 6.742) 7.773 7.823 ( -12.982 -7.540 -6.144) 16.221 8.507 ( 3.354 5.673 -6.105) 8.984 8.708 ( -4.687 3.533 -1.657) 6.099 9.013 ( -0.685 0.314 8.420) 8.454 9.194 ( 0.816 -1.104 3.135) 3.422 10.198 ( -19.469 -0.375 5.289) 20.179 10.590 ( -11.130 0.225 7.128) 13.218 11.787 ( -5.163 4.025 -3.754) 7.546 12.150 ( -0.226 -12.372 1.663) 12.485 12.941 ( -9.516 6.732 0.296) 11.661 13.326 ( 0.191 0.970 5.022) 5.118 13.672 ( 1.064 -0.379 0.078) 1.132 14.185 ( 4.644 1.863 0.772) 5.063 14.300 ( 4.070 -0.444 2.636) 4.869 14.604 ( 5.848 -1.944 -11.489) 13.037 ======================= Grid point 157 (100/156) ======================= q-point: ( 0.15 -0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -5.416 20.325 1.710) 21.104 1.791 ( 7.032 -2.408 -3.742) 8.322 2.266 ( -15.065 1.949 -13.090) 20.053 2.799 ( 5.123 1.865 -5.134) 7.489 3.210 ( 4.477 2.011 1.340) 5.087 3.490 ( 2.353 1.270 11.490) 11.797 3.901 ( 2.713 -4.922 4.770) 7.371 3.934 ( 1.460 -1.783 -7.886) 8.216 3.986 ( -1.422 3.400 10.587) 11.210 4.295 ( -11.851 -9.815 -3.003) 15.678 4.658 ( 5.402 -3.594 -2.472) 6.943 4.712 ( 5.628 6.464 -11.100) 14.024 5.381 ( 8.288 -9.387 -1.823) 12.654 5.691 ( -23.114 6.284 5.512) 24.579 5.930 ( 1.375 10.796 13.688) 17.488 6.204 ( 9.767 -7.391 4.515) 13.054 6.734 ( 2.722 1.993 -8.967) 9.581 7.074 ( -8.064 10.023 -0.409) 12.870 7.209 ( -4.392 -7.187 -0.750) 8.456 7.420 ( 6.157 -9.163 1.994) 11.218 7.580 ( 6.056 -2.189 -8.024) 10.288 8.000 ( 8.817 0.268 0.455) 8.833 8.466 ( -3.540 5.100 1.361) 6.356 8.642 ( 4.032 5.133 -4.671) 8.026 9.065 ( -4.969 -1.781 7.553) 9.215 9.200 ( -2.667 -1.403 2.375) 3.837 9.703 ( -5.298 -0.039 -4.836) 7.173 10.344 ( -4.346 0.121 2.123) 4.838 11.670 ( 2.940 7.098 -1.530) 7.833 12.226 ( -0.292 -6.568 0.619) 6.603 12.701 ( 0.024 0.101 -0.007) 0.104 13.321 ( -3.497 -7.627 0.423) 8.401 13.668 ( -0.285 7.374 -1.056) 7.454 14.248 ( -0.202 0.422 -2.630) 2.672 14.324 ( -2.722 -0.461 -0.100) 2.762 14.841 ( 8.690 -0.562 3.676) 9.452 ======================= Grid point 170 (101/156) ======================= q-point: ( 0.15 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 3.381 19.860 4.543) 20.651 2.319 ( 7.305 6.185 3.182) 10.086 2.593 ( 8.980 7.331 6.965) 13.523 2.825 ( 0.170 8.464 8.567) 12.044 3.036 ( -1.994 -3.577 2.311) 4.702 3.158 ( -3.161 -3.742 2.835) 5.660 3.239 ( 4.439 -2.809 -8.700) 10.163 3.678 ( 2.609 -3.479 -9.030) 10.023 4.018 ( -0.554 -8.943 -1.012) 9.017 4.342 ( 0.482 -1.085 -3.687) 3.874 4.574 ( -7.292 -9.579 -2.595) 12.315 4.827 ( -5.416 -3.776 5.293) 8.462 4.996 ( 5.806 -1.346 8.186) 10.126 5.161 ( -0.366 8.295 -6.940) 10.822 5.642 ( -8.213 -14.552 -5.131) 17.480 6.281 ( -5.181 -9.061 0.829) 10.471 6.766 ( 4.255 11.269 2.068) 12.222 6.998 ( 13.549 3.490 -3.875) 14.518 7.798 ( -5.386 11.796 -5.793) 14.203 7.994 ( 6.796 6.477 8.912) 12.945 8.185 ( 0.398 3.667 -4.274) 5.645 8.426 ( 5.767 13.431 -11.317) 18.486 8.651 ( -6.581 1.094 3.593) 7.577 8.788 ( 4.168 -4.443 3.794) 7.177 8.893 ( -3.530 11.768 4.711) 13.159 9.029 ( 6.942 -3.621 -0.515) 7.846 9.614 ( -4.260 -5.434 6.697) 9.619 9.881 ( -5.666 -12.011 -0.380) 13.286 11.821 ( -5.510 5.432 -0.641) 7.764 12.297 ( 7.306 0.939 -2.486) 7.774 12.617 ( -5.386 -8.837 0.027) 10.349 12.918 ( -2.298 -8.055 -1.266) 8.471 13.634 ( 0.342 3.954 5.626) 6.885 14.221 ( 2.321 -2.338 2.448) 4.104 14.325 ( 1.543 -0.019 1.653) 2.262 14.594 ( -6.158 -6.197 -7.951) 11.813 ======================= Grid point 171 (102/156) ======================= q-point: ( 0.15 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -4.552 5.518 -3.845) 8.121 2.334 ( -7.246 10.365 2.443) 12.881 2.581 ( -4.284 5.803 -15.513) 17.107 2.850 ( -2.262 9.786 4.699) 11.089 3.061 ( 4.635 -7.818 -4.011) 9.935 3.192 ( -11.307 3.382 2.611) 12.087 3.304 ( -3.360 -3.630 9.700) 10.888 3.620 ( -4.445 -0.381 1.785) 4.805 3.818 ( 8.305 -2.694 4.619) 9.877 4.445 ( 4.521 -13.398 -4.000) 14.695 4.516 ( -0.110 4.163 1.508) 4.429 4.753 ( 8.313 -0.963 -5.618) 10.080 5.019 ( -0.467 -4.299 -9.022) 10.005 5.306 ( -2.616 -2.389 6.418) 7.331 5.598 ( 9.614 -13.634 2.760) 16.910 6.304 ( -0.469 -6.522 9.886) 11.852 6.683 ( -4.132 14.984 0.464) 15.550 6.988 ( -9.217 3.867 -5.473) 11.396 7.808 ( 8.479 7.962 2.244) 11.846 7.981 ( -8.158 8.976 -9.804) 15.596 8.322 ( -5.134 -3.091 4.101) 7.262 8.413 ( 0.347 11.633 10.104) 15.413 8.588 ( 4.545 5.375 -1.875) 7.284 8.691 ( -5.334 9.380 -1.254) 10.864 8.918 ( -0.452 -2.217 2.882) 3.664 9.065 ( -4.718 0.989 -3.200) 5.786 9.621 ( 5.010 -5.790 -7.556) 10.757 9.891 ( 5.419 -12.746 0.478) 13.859 11.879 ( 2.884 2.926 8.130) 9.109 12.377 ( -6.782 -7.979 -1.324) 10.555 12.590 ( 6.720 -4.384 -0.667) 8.051 12.767 ( 5.277 0.983 -8.041) 9.668 13.688 ( -3.442 1.486 2.681) 4.609 14.204 ( -0.962 -2.397 -4.998) 5.626 14.318 ( -1.474 0.740 -1.016) 1.938 14.610 ( 5.996 -7.149 7.143) 11.751 ======================= Grid point 173 (103/156) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 39.999 2.472 -0.000) 40.075 1.729 ( 2.031 9.445 0.000) 9.661 2.063 ( 9.044 3.780 -0.000) 9.802 2.902 ( 3.762 -4.972 -0.000) 6.235 3.108 ( -18.315 24.434 0.000) 30.536 3.369 ( 3.683 -6.156 -0.000) 7.174 3.498 ( -11.343 19.196 0.000) 22.297 3.909 ( -6.247 -1.642 0.000) 6.459 4.016 ( -0.240 10.683 0.000) 10.686 4.400 ( 3.850 -15.141 -0.000) 15.622 4.601 ( -4.058 -9.466 -0.000) 10.299 4.918 ( 4.469 -10.201 -0.000) 11.137 5.011 ( -10.779 8.876 0.000) 13.963 5.820 ( 16.735 5.326 -0.000) 17.562 5.911 ( -15.482 7.728 0.000) 17.304 6.200 ( -11.783 -9.401 0.000) 15.074 6.780 ( 1.745 10.926 0.000) 11.065 6.938 ( 7.053 12.886 0.000) 14.690 7.097 ( 2.729 -9.195 -0.000) 9.591 7.643 ( 4.937 -7.517 -0.000) 8.993 7.755 ( 13.966 -8.173 -0.000) 16.182 8.221 ( 2.396 -12.066 -0.000) 12.302 8.536 ( 7.298 7.971 0.000) 10.807 8.733 ( 5.718 0.513 -0.000) 5.741 8.971 ( -5.719 4.466 0.000) 7.256 9.117 ( -3.766 1.565 0.000) 4.078 9.602 ( -2.033 -1.437 0.000) 2.489 10.265 ( -6.085 -1.100 0.000) 6.184 12.005 ( 15.115 -9.255 -0.000) 17.723 12.129 ( -1.967 0.741 0.000) 2.102 12.724 ( -2.774 -5.179 -0.000) 5.876 12.957 ( -17.347 6.496 0.000) 18.523 13.759 ( 3.269 2.694 -0.000) 4.236 14.185 ( -2.106 1.316 0.000) 2.483 14.255 ( 0.646 4.024 0.000) 4.076 15.018 ( -3.899 -8.745 -0.000) 9.574 ======================= Grid point 175 (104/156) ======================= q-point: ( 0.15 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -2.242 5.343 5.661) 8.100 2.517 ( 2.430 3.812 -2.745) 5.289 2.687 ( 1.868 -5.230 0.305) 5.562 2.777 ( -0.707 -11.357 0.612) 11.396 3.124 ( 0.222 18.470 2.199) 18.602 3.236 ( 7.278 9.600 7.860) 14.384 3.454 ( 2.069 9.551 -1.267) 9.855 3.553 ( -7.257 -6.271 -1.580) 9.720 3.715 ( -10.302 -5.978 1.348) 11.987 4.133 ( 5.516 -18.288 -8.805) 21.033 4.510 ( -0.396 3.486 5.782) 6.763 4.732 ( 1.107 -5.200 -2.656) 5.943 5.054 ( 4.183 -0.695 3.448) 5.465 5.222 ( -2.550 -9.085 -0.193) 9.438 5.483 ( 1.575 12.173 -6.786) 14.025 5.962 ( -4.062 -11.118 3.861) 12.450 7.015 ( -0.424 9.166 -4.442) 10.194 7.188 ( 3.399 -1.226 -7.492) 8.318 7.880 ( -1.705 5.826 -2.211) 6.461 8.105 ( -0.394 -5.420 1.805) 5.726 8.339 ( 3.544 10.978 14.064) 18.190 8.567 ( -9.012 7.670 -0.313) 11.838 8.735 ( -0.323 -0.485 2.312) 2.384 8.768 ( 3.720 2.390 -6.022) 7.471 9.080 ( -4.380 12.689 -1.564) 13.514 9.117 ( 5.177 2.190 1.690) 5.869 9.482 ( 4.274 -7.761 -0.046) 8.860 9.560 ( -1.777 -13.715 -0.797) 13.852 11.877 ( -2.451 7.954 2.076) 8.578 12.258 ( 1.823 -12.357 -1.482) 12.579 12.518 ( -0.556 3.440 0.242) 3.493 12.741 ( 0.775 -7.695 -2.067) 8.005 13.784 ( 0.341 10.160 2.766) 10.535 14.183 ( 2.050 -7.858 0.095) 8.121 14.337 ( 1.111 -0.899 1.200) 1.866 14.375 ( -3.723 -3.403 -3.012) 5.875 ======================= Grid point 178 (105/156) ======================= q-point: ( 0.15 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 9.352 2.365 -0.000) 9.646 2.185 ( 26.258 -4.260 -0.000) 26.601 2.417 ( 9.272 7.663 -0.000) 12.029 2.806 ( 2.728 -5.434 -0.000) 6.081 3.161 ( -16.285 15.120 0.000) 22.222 3.304 ( 1.522 -5.527 -0.000) 5.732 3.648 ( -2.802 6.859 0.000) 7.409 3.690 ( -9.335 -5.156 0.000) 10.664 3.992 ( -4.783 -5.990 -0.000) 7.665 4.222 ( -0.875 -5.252 -0.000) 5.324 4.353 ( -4.165 -8.155 -0.000) 9.157 4.816 ( 1.740 -5.405 -0.000) 5.678 4.965 ( -6.475 13.563 0.000) 15.029 5.679 ( -14.435 -7.117 0.000) 16.094 5.787 ( -15.320 4.205 0.000) 15.887 6.481 ( 20.835 16.107 -0.000) 26.335 6.681 ( -13.616 -8.239 0.000) 15.915 7.207 ( 15.270 3.699 -0.000) 15.711 7.382 ( 12.126 6.206 -0.000) 13.622 7.613 ( 9.059 -10.258 -0.000) 13.686 7.796 ( 9.886 -8.410 -0.000) 12.979 8.062 ( 6.436 -12.783 -0.000) 14.312 8.746 ( -0.942 -3.386 -0.000) 3.515 8.895 ( 10.975 7.500 -0.000) 13.293 9.043 ( 0.581 5.465 0.000) 5.496 9.125 ( -2.750 6.365 0.000) 6.934 9.558 ( -4.693 3.875 0.000) 6.086 10.108 ( -12.032 3.455 0.000) 12.519 11.991 ( -4.120 -7.749 -0.000) 8.777 12.104 ( 12.473 -8.038 -0.000) 14.838 12.722 ( 0.042 6.133 0.000) 6.133 12.748 ( -16.528 6.755 0.000) 17.855 13.889 ( 2.777 5.835 0.000) 6.462 14.138 ( -4.688 0.123 0.000) 4.689 14.325 ( 0.362 2.074 0.000) 2.105 14.724 ( -6.519 -10.697 -0.000) 12.527 ======================= Grid point 180 (106/156) ======================= q-point: ( 0.15 0.25 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -5.027 -0.586 4.431) 6.727 2.509 ( -4.413 4.192 -1.189) 6.202 2.636 ( 3.665 -5.127 3.112) 7.029 2.791 ( 10.959 -0.468 0.179) 10.971 3.149 ( -15.921 -3.816 -0.735) 16.388 3.339 ( -3.966 5.795 -1.371) 7.155 3.438 ( -1.962 -7.853 2.757) 8.551 3.579 ( -1.817 11.915 -7.030) 13.953 3.725 ( 6.180 -0.913 1.801) 6.502 4.027 ( 13.234 -2.928 0.404) 13.560 4.569 ( -2.622 6.540 2.771) 7.572 4.645 ( 2.877 -6.071 3.112) 7.404 5.061 ( 0.490 -3.921 2.663) 4.765 5.241 ( 11.125 2.307 -2.144) 11.562 5.451 ( -13.013 -0.446 -2.584) 13.274 6.028 ( 15.017 2.728 -3.139) 15.582 7.010 ( -9.953 -1.577 -3.589) 10.698 7.155 ( -1.687 -1.688 -4.488) 5.083 7.857 ( -7.520 1.684 0.168) 7.708 8.090 ( 3.239 1.070 3.742) 5.064 8.468 ( -4.274 -4.104 5.261) 7.924 8.519 ( -5.973 1.353 4.563) 7.638 8.604 ( -8.909 8.508 2.738) 12.619 8.856 ( 3.305 -2.284 -6.737) 7.844 9.076 ( -9.172 -7.523 -1.898) 12.014 9.161 ( -4.883 3.289 -2.772) 6.507 9.435 ( 7.606 -0.038 4.337) 8.756 9.581 ( 13.607 -0.925 -2.151) 13.807 11.916 ( -5.810 2.709 -2.064) 6.735 12.227 ( 11.110 -1.457 1.793) 11.348 12.522 ( -4.018 2.024 -0.165) 4.501 12.704 ( 4.894 -2.523 1.857) 5.811 13.838 ( -7.011 -1.191 -3.040) 7.734 14.142 ( 6.405 -1.268 4.188) 7.757 14.337 ( 0.850 -1.077 0.991) 1.693 14.383 ( 3.925 3.553 -3.359) 6.270 ======================= Grid point 183 (107/156) ======================= q-point: ( 0.15 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 13.343 5.069 -0.000) 14.273 2.246 ( 3.381 -10.932 -0.000) 11.443 2.547 ( 3.594 -9.918 -0.000) 10.549 2.994 ( 16.012 -2.470 -0.000) 16.201 3.107 ( -14.188 11.870 0.000) 18.498 3.272 ( 0.944 2.378 0.000) 2.559 3.408 ( -6.477 -14.763 -0.000) 16.121 3.416 ( -5.895 -5.444 0.000) 8.024 3.777 ( -0.085 -8.779 -0.000) 8.779 4.141 ( -7.117 -2.483 0.000) 7.538 4.413 ( 5.261 17.145 0.000) 17.934 4.856 ( 4.727 3.073 -0.000) 5.639 5.220 ( -1.946 16.363 0.000) 16.479 5.294 ( -8.753 -8.362 0.000) 12.105 5.627 ( -12.491 5.335 0.000) 13.583 6.226 ( -11.485 -10.556 0.000) 15.599 7.062 ( 15.026 7.374 -0.000) 16.738 7.462 ( 7.519 -14.203 -0.000) 16.070 7.594 ( 8.491 -5.433 -0.000) 10.081 7.622 ( 16.183 3.529 -0.000) 16.564 7.814 ( -1.434 -2.487 -0.000) 2.871 8.045 ( 14.506 -12.007 -0.000) 18.831 8.699 ( -1.945 4.145 0.000) 4.578 9.045 ( -2.701 -4.313 -0.000) 5.089 9.092 ( -0.286 2.260 0.000) 2.278 9.197 ( 4.229 -5.645 -0.000) 7.053 9.635 ( -6.287 17.304 0.000) 18.411 9.961 ( -13.844 6.876 0.000) 15.458 11.759 ( -2.622 -8.422 -0.000) 8.821 12.203 ( 8.599 -1.339 -0.000) 8.702 12.623 ( -9.714 6.453 0.000) 11.662 12.882 ( -1.186 10.894 0.000) 10.958 13.957 ( -9.148 -7.056 0.000) 11.553 14.109 ( 4.895 9.285 0.000) 10.496 14.345 ( -0.417 0.242 0.000) 0.482 14.443 ( -3.616 -5.946 -0.000) 6.959 ======================= Grid point 187 (108/156) ======================= q-point: ( 0.15 0.65 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 29.817 -1.683 8.228) 30.977 1.761 ( 9.933 -2.437 -5.246) 11.495 2.496 ( 2.230 1.081 -9.658) 9.971 2.680 ( -0.425 -7.583 -3.725) 8.459 3.128 ( 1.735 -6.328 8.668) 10.871 3.382 ( 1.469 -11.732 -0.165) 11.825 3.636 ( -1.141 -13.886 -3.698) 14.415 3.827 ( -13.633 9.292 2.939) 16.758 4.023 ( -3.716 -4.323 4.471) 7.245 4.338 ( -7.338 10.240 -5.255) 13.650 4.485 ( -7.171 0.180 -2.747) 7.681 4.676 ( 4.203 -6.615 -7.235) 10.666 5.274 ( -1.495 9.671 1.752) 9.942 5.677 ( -12.022 -10.640 12.012) 20.050 5.951 ( 0.478 -4.473 6.160) 7.628 6.391 ( 10.042 11.269 4.872) 15.861 6.596 ( 2.031 -13.123 -8.397) 15.712 7.160 ( -3.785 1.939 3.632) 5.593 7.256 ( -0.082 6.123 -1.227) 6.245 7.432 ( 5.058 -12.378 -11.279) 17.493 7.504 ( 13.977 2.722 -2.398) 14.440 7.886 ( 1.180 -3.360 -2.126) 4.148 8.618 ( 5.999 -2.890 -0.904) 6.720 8.746 ( 9.629 2.236 -0.087) 9.886 9.109 ( -2.418 3.335 6.410) 7.620 9.204 ( -2.376 0.630 2.582) 3.565 9.859 ( -3.503 15.093 -1.110) 15.534 10.405 ( -8.070 9.162 3.315) 12.652 11.788 ( 6.502 1.035 1.491) 6.751 12.027 ( -5.520 -5.717 -3.144) 8.546 12.843 ( 2.637 9.328 0.388) 9.702 13.161 ( -14.231 3.126 -1.284) 14.627 13.813 ( 6.597 0.870 3.532) 7.534 14.247 ( -0.504 -0.361 -2.700) 2.771 14.358 ( 0.189 0.922 -0.602) 1.118 14.593 ( -4.570 -11.370 0.217) 12.256 ======================= Grid point 188 (109/156) ======================= q-point: ( 0.15 -0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 2.479 -4.024 -0.000) 4.726 2.169 ( -2.424 -27.897 -0.000) 28.003 2.539 ( 10.409 3.887 -0.000) 11.111 2.717 ( -5.966 -22.706 -0.000) 23.476 3.086 ( -7.831 6.264 0.000) 10.028 3.348 ( 2.154 3.784 0.000) 4.354 3.465 ( 2.932 10.416 0.000) 10.821 3.508 ( 7.252 12.029 0.000) 14.046 3.712 ( 11.141 -6.536 -0.000) 12.917 4.013 ( -6.480 3.821 0.000) 7.522 4.835 ( 5.372 12.072 0.000) 13.213 4.891 ( -5.384 -4.602 0.000) 7.083 5.111 ( -7.734 5.472 0.000) 9.474 5.376 ( -4.272 6.125 0.000) 7.468 5.582 ( 3.153 3.219 0.000) 4.506 6.016 ( -3.589 7.104 0.000) 7.959 7.227 ( 0.740 -19.039 -0.000) 19.053 7.254 ( 8.279 -10.561 -0.000) 13.420 7.689 ( -4.236 -4.125 0.000) 5.912 7.724 ( 11.655 1.309 -0.000) 11.729 7.988 ( 9.297 -16.120 -0.000) 18.609 7.993 ( 9.923 5.914 -0.000) 11.552 8.740 ( -1.819 -7.709 -0.000) 7.921 8.873 ( -3.419 -16.889 -0.000) 17.232 8.906 ( -4.159 7.741 0.000) 8.787 9.204 ( -0.345 1.414 0.000) 1.455 9.815 ( -13.153 4.136 0.000) 13.788 9.886 ( -5.103 17.872 0.000) 18.586 11.600 ( 0.843 -6.149 -0.000) 6.207 12.394 ( 6.641 4.293 -0.000) 7.907 12.606 ( -4.919 6.092 0.000) 7.830 13.086 ( -2.126 13.581 0.000) 13.746 13.578 ( -7.978 -11.540 -0.000) 14.029 14.281 ( -2.549 0.992 0.000) 2.735 14.356 ( -1.209 -0.339 0.000) 1.255 14.445 ( 8.068 7.489 -0.000) 11.008 ======================= Grid point 192 (110/156) ======================= q-point: ( 0.15 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 19.787 -2.545 3.063) 20.183 2.001 ( 13.896 -1.423 -3.586) 14.422 2.330 ( 0.341 -17.855 -7.275) 19.283 2.560 ( 5.310 -11.380 1.771) 12.683 2.966 ( 5.438 -13.318 6.530) 15.798 3.272 ( 0.876 -10.453 1.285) 10.568 3.412 ( 0.240 3.167 -3.064) 4.413 3.741 ( -15.029 10.984 1.382) 18.666 3.765 ( -8.272 -6.283 -7.179) 12.627 4.313 ( -5.914 2.760 0.932) 6.593 4.619 ( 5.001 12.005 -1.874) 13.139 4.743 ( 7.913 1.260 -2.004) 8.259 5.286 ( -6.671 -8.584 4.074) 11.609 5.450 ( -3.167 4.911 4.064) 7.118 5.893 ( -1.859 2.787 3.496) 4.841 6.232 ( -9.542 -5.753 -6.343) 12.821 6.631 ( 8.159 -10.728 11.080) 17.448 7.236 ( 4.218 3.002 10.633) 11.826 7.297 ( 9.081 -13.810 -20.629) 26.433 7.500 ( 11.757 1.596 -0.550) 11.878 7.707 ( 7.217 2.406 -6.595) 10.068 7.904 ( 1.210 -1.098 -2.907) 3.334 8.697 ( 4.876 0.453 -1.260) 5.057 8.890 ( 5.338 -9.045 1.186) 10.569 9.091 ( -4.607 1.730 3.972) 6.324 9.116 ( -2.926 0.042 3.806) 4.801 10.125 ( -6.087 20.723 1.909) 21.682 10.360 ( -14.915 8.781 3.254) 17.611 11.763 ( -6.471 -2.741 -2.373) 7.418 12.068 ( 9.721 5.657 -0.654) 11.266 12.915 ( -12.235 2.353 0.577) 12.472 13.113 ( -0.063 11.484 -0.161) 11.485 13.871 ( -3.097 -5.078 8.964) 10.758 14.212 ( 1.899 -0.377 -5.351) 5.691 14.351 ( 0.561 -5.295 1.493) 5.530 14.372 ( 0.209 -0.806 -5.047) 5.115 ======================= Grid point 193 (111/156) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -4.708 -35.715 -0.000) 36.024 2.105 ( -5.311 -1.802 0.000) 5.608 2.221 ( -2.268 -18.510 -0.000) 18.648 2.708 ( 3.769 0.704 -0.000) 3.834 3.068 ( -2.836 4.450 0.000) 5.277 3.509 ( -11.431 14.890 0.000) 18.772 3.685 ( 7.105 3.603 -0.000) 7.966 3.750 ( 6.767 3.472 -0.000) 7.606 4.057 ( 0.112 4.463 0.000) 4.464 4.082 ( 17.175 10.398 -0.000) 20.077 4.633 ( -9.879 -6.758 0.000) 11.970 4.934 ( 1.332 -5.564 -0.000) 5.721 5.079 ( -8.754 12.365 0.000) 15.150 5.522 ( -0.418 14.610 0.000) 14.616 5.809 ( 9.945 1.119 -0.000) 10.007 6.275 ( 1.047 19.188 0.000) 19.216 6.750 ( -8.907 -20.342 -0.000) 22.207 7.076 ( 0.548 -15.890 -0.000) 15.899 7.508 ( -4.844 -5.693 -0.000) 7.475 7.869 ( 9.002 -14.128 -0.000) 16.752 7.976 ( 11.597 0.052 -0.000) 11.598 8.122 ( 0.654 -7.843 -0.000) 7.870 8.506 ( -1.458 -7.776 -0.000) 7.912 8.551 ( 3.528 -9.809 -0.000) 10.424 9.051 ( -1.871 9.511 0.000) 9.694 9.180 ( -4.861 1.283 0.000) 5.027 9.623 ( -10.711 0.735 0.000) 10.736 10.098 ( -2.795 12.436 0.000) 12.746 11.560 ( 4.436 -3.312 -0.000) 5.536 12.447 ( -4.575 -2.160 0.000) 5.059 12.702 ( 3.218 4.385 0.000) 5.440 13.281 ( -3.493 11.041 0.000) 11.580 13.366 ( 0.290 -0.701 -0.000) 0.759 14.227 ( -2.090 -0.644 0.000) 2.187 14.334 ( -1.731 0.121 0.000) 1.735 14.751 ( 8.404 6.860 -0.000) 10.848 ======================= Grid point 196 (112/156) ======================= q-point: ( 0.15 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 25.443 3.094 11.702) 28.175 1.732 ( 7.960 -5.609 5.482) 11.174 2.171 ( 2.322 -22.416 -14.157) 26.614 2.269 ( -9.912 -16.750 2.318) 19.601 2.573 ( 8.857 -6.560 -1.936) 11.190 2.974 ( 5.436 -15.641 -2.375) 16.728 3.548 ( -4.098 2.765 6.101) 7.852 3.635 ( 6.697 -1.910 18.056) 19.352 3.897 ( -3.868 -3.041 1.672) 5.197 4.533 ( -2.183 0.061 -7.684) 7.988 4.689 ( -2.322 1.543 -8.881) 9.308 4.820 ( 0.069 3.956 2.065) 4.463 5.202 ( -4.780 5.062 -0.916) 7.022 5.537 ( 0.444 -9.682 -11.213) 14.821 5.876 ( 11.417 6.155 -4.608) 13.764 6.179 ( 0.166 -8.568 -1.470) 8.695 6.403 ( -5.929 1.535 8.734) 10.667 6.866 ( 4.905 -13.220 3.765) 14.595 7.340 ( 2.973 -3.980 -11.136) 12.194 7.452 ( 1.916 2.667 -4.939) 5.931 7.774 ( 3.922 -5.336 3.230) 7.368 8.006 ( -1.538 14.009 -6.258) 15.420 8.569 ( 3.607 -3.488 0.668) 5.062 8.791 ( 1.570 -2.236 -6.567) 7.113 9.042 ( 0.518 2.760 7.822) 8.311 9.115 ( -4.059 -1.145 4.468) 6.144 10.533 ( -4.483 18.141 5.905) 19.598 10.709 ( -11.680 11.395 7.729) 18.056 11.942 ( -9.403 0.763 -0.695) 9.460 12.076 ( 8.112 13.043 0.114) 15.360 13.134 ( -9.166 -0.207 2.942) 9.629 13.301 ( -1.022 8.407 2.048) 8.713 13.638 ( 1.426 -3.763 4.676) 6.169 14.152 ( 3.424 -5.088 2.117) 6.488 14.192 ( 1.213 -5.200 -0.757) 5.393 14.472 ( 2.794 -6.424 -13.546) 15.250 ======================= Grid point 197 (113/156) ======================= q-point: ( 0.15 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -5.305 -26.442 -5.609) 27.546 2.001 ( 3.603 -11.305 -1.821) 12.004 2.380 ( 15.646 3.962 -2.276) 16.300 2.433 ( 9.936 -12.452 -10.303) 18.971 3.006 ( 8.316 -2.586 9.824) 13.129 3.160 ( 7.770 -3.539 4.185) 9.509 3.511 ( -2.047 -3.364 -2.038) 4.434 3.618 ( -3.252 11.560 2.963) 12.369 3.846 ( 1.742 14.615 -4.952) 15.529 4.272 ( -4.393 3.281 1.399) 5.659 4.834 ( -0.913 0.944 1.537) 2.021 4.966 ( 4.627 1.389 -3.143) 5.763 5.158 ( 4.701 0.799 -6.297) 7.899 5.329 ( -3.211 -1.569 11.448) 11.993 5.900 ( -8.661 4.632 -6.281) 11.659 6.192 ( 3.352 10.129 0.483) 10.680 6.503 ( 4.669 -13.999 13.932) 20.294 7.142 ( 6.208 -14.181 -8.237) 17.535 7.389 ( 8.044 -3.948 -1.005) 9.017 7.677 ( 8.912 -3.088 -3.652) 10.114 7.782 ( -2.507 -3.861 -1.987) 5.013 8.022 ( 6.976 7.938 -5.894) 12.100 8.545 ( -4.431 -20.620 2.056) 21.191 8.698 ( -4.608 -3.985 -1.767) 6.343 9.046 ( -2.353 4.707 5.002) 7.260 9.196 ( 2.487 2.636 1.880) 4.083 10.172 ( -17.793 4.849 2.905) 18.670 10.349 ( -9.003 16.606 3.124) 19.146 11.616 ( -4.441 -1.012 -4.669) 6.523 12.389 ( 5.945 7.719 -0.012) 9.743 12.749 ( -5.948 -0.319 0.270) 5.962 13.290 ( -3.903 7.781 6.923) 11.122 13.598 ( -5.956 -3.522 -1.728) 7.131 14.273 ( 0.878 -4.237 -0.183) 4.331 14.336 ( 2.966 0.689 2.040) 3.665 14.443 ( 6.421 3.489 -5.523) 9.160 ======================= Grid point 198 (114/156) ======================= q-point: ( 0.15 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -5.731 -27.295 -0.000) 27.890 1.783 ( -18.048 -3.814 0.000) 18.447 2.023 ( 5.356 -8.322 -0.000) 9.897 2.755 ( -1.972 3.151 0.000) 3.717 3.190 ( 4.986 5.249 0.000) 7.240 3.467 ( -20.737 14.921 0.000) 25.547 3.632 ( -13.657 -7.848 0.000) 15.752 3.932 ( 3.569 3.678 0.000) 5.125 4.116 ( -5.683 -2.975 0.000) 6.414 4.366 ( 2.175 -2.055 -0.000) 2.992 4.602 ( 15.933 9.675 -0.000) 18.641 4.852 ( 5.034 -7.403 -0.000) 8.952 5.158 ( -11.175 6.455 0.000) 12.905 5.796 ( -3.232 16.308 0.000) 16.625 5.799 ( 7.374 -14.859 -0.000) 16.588 6.428 ( -4.442 4.893 0.000) 6.608 6.667 ( -9.385 -5.368 0.000) 10.812 6.722 ( 5.208 7.065 0.000) 8.777 7.295 ( -3.798 -7.286 -0.000) 8.217 7.784 ( 7.182 -11.030 -0.000) 13.162 7.794 ( 0.684 -19.940 -0.000) 19.952 8.195 ( 11.056 -0.131 -0.000) 11.057 8.422 ( 0.743 -2.176 -0.000) 2.299 8.584 ( 2.197 1.887 -0.000) 2.896 9.092 ( -4.590 -0.289 0.000) 4.599 9.149 ( -2.659 4.620 0.000) 5.331 9.527 ( -1.385 3.802 0.000) 4.047 10.259 ( 1.143 6.156 0.000) 6.262 11.650 ( 7.222 1.493 -0.000) 7.375 12.254 ( -6.840 -3.965 0.000) 7.906 12.834 ( 8.025 -1.373 -0.000) 8.141 13.319 ( -5.530 1.183 0.000) 5.655 13.488 ( 1.504 7.919 0.000) 8.060 14.196 ( -1.391 0.623 0.000) 1.525 14.276 ( -3.677 -1.029 0.000) 3.818 15.011 ( 7.743 4.087 -0.000) 8.755 ======================= Grid point 201 (115/156) ======================= q-point: ( 0.15 0.45 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -2.417 -27.948 2.423) 28.157 1.704 ( 8.025 -5.774 6.284) 11.714 2.096 ( 19.568 0.046 -4.515) 20.082 2.249 ( 16.735 5.096 -6.750) 18.751 2.735 ( 12.750 -0.189 -1.067) 12.795 2.822 ( 7.768 -9.922 -0.116) 12.602 3.500 ( -1.829 -0.621 16.231) 16.345 3.742 ( -2.556 -1.790 2.123) 3.774 3.840 ( 6.935 3.174 6.892) 10.280 4.401 ( -5.974 2.253 -8.728) 10.814 4.790 ( 3.433 1.475 7.548) 8.423 4.947 ( 2.423 1.534 -7.413) 7.948 5.287 ( -1.268 10.816 -1.713) 11.024 5.357 ( 0.490 -8.534 -14.123) 16.509 5.928 ( 0.458 -13.288 -3.993) 13.882 6.190 ( 4.039 1.726 -7.915) 9.052 6.360 ( -2.519 8.443 7.786) 11.759 6.779 ( 6.326 -5.741 10.681) 13.677 7.358 ( 7.551 -4.615 -18.441) 20.455 7.591 ( 2.605 3.258 2.548) 4.888 7.686 ( 2.530 -7.783 0.359) 8.192 8.220 ( -5.977 5.026 2.963) 8.353 8.362 ( -2.031 -7.309 -9.131) 11.871 8.770 ( -1.596 -1.022 -3.590) 4.059 9.024 ( -2.986 0.763 7.459) 8.070 9.145 ( 2.420 2.461 4.013) 5.293 10.543 ( -18.373 4.224 5.832) 19.733 10.692 ( -10.893 11.508 8.033) 17.766 11.823 ( -6.382 2.704 -3.262) 7.661 12.403 ( 0.705 -1.091 0.569) 1.418 12.894 ( -7.399 5.579 2.980) 9.734 13.328 ( -6.383 1.967 7.147) 9.782 13.656 ( 1.462 1.970 -0.205) 2.462 14.118 ( 3.977 -4.618 1.881) 6.378 14.214 ( 5.680 -0.906 0.661) 5.790 14.501 ( 8.259 -2.761 -13.298) 15.896 ======================= Grid point 202 (116/156) ======================= q-point: ( 0.15 0.65 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -8.848 -22.440 -5.341) 24.706 1.822 ( 4.732 -12.353 -1.958) 13.373 2.432 ( -2.798 0.199 -16.504) 16.741 2.656 ( 7.467 1.749 -5.046) 9.181 3.117 ( 5.261 -0.688 10.269) 11.558 3.307 ( 7.994 2.240 3.919) 9.180 3.568 ( 12.598 1.102 -2.779) 12.948 3.864 ( 0.888 11.328 12.234) 16.697 4.115 ( 0.221 3.150 0.448) 3.189 4.336 ( 3.224 9.564 -7.296) 12.454 4.683 ( -8.999 -6.747 -1.753) 11.383 4.825 ( -3.331 -6.820 -4.073) 8.614 5.280 ( 4.118 0.512 -3.907) 5.700 5.559 ( 7.519 14.421 13.821) 21.343 5.941 ( -3.573 9.226 -3.973) 10.661 6.244 ( 2.407 -17.626 11.252) 21.050 6.531 ( 5.479 11.225 -0.383) 12.496 7.000 ( 1.131 -5.273 -9.210) 10.673 7.405 ( 0.287 -4.350 3.348) 5.497 7.579 ( 2.112 -8.920 -6.266) 11.104 7.790 ( 2.472 -11.151 -5.372) 12.622 7.930 ( -3.533 -10.410 4.951) 12.057 8.406 ( 7.173 3.250 -4.006) 8.835 8.523 ( -5.289 0.256 -2.285) 5.767 9.104 ( -1.215 3.058 6.783) 7.539 9.249 ( -0.373 0.285 1.096) 1.192 9.901 ( -15.240 1.118 0.193) 15.282 10.406 ( -9.408 8.264 3.414) 12.979 11.570 ( -1.555 2.489 -4.248) 5.163 12.403 ( -0.536 -8.869 1.478) 9.007 12.708 ( -3.010 2.687 -0.070) 4.035 13.343 ( -1.293 7.254 7.329) 10.393 13.585 ( -1.715 3.426 -5.376) 6.601 14.232 ( 1.363 -1.440 -1.887) 2.737 14.360 ( -0.470 0.066 0.087) 0.482 14.659 ( 8.686 2.191 0.296) 8.963 ======================= Grid point 203 (117/156) ======================= q-point: ( 0.20 -0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -5.871 31.935 0.000) 32.470 1.730 ( -14.435 -1.740 0.000) 14.539 1.954 ( 2.091 1.530 -0.000) 2.591 2.821 ( 1.740 4.046 0.000) 4.405 3.288 ( 5.148 4.839 -0.000) 7.065 3.423 ( -20.660 -13.638 0.000) 24.755 3.670 ( -21.023 0.154 0.000) 21.024 3.966 ( 4.179 -0.250 -0.000) 4.186 4.019 ( -9.494 -3.238 0.000) 10.031 4.347 ( 10.085 0.709 -0.000) 10.110 4.707 ( 7.195 -6.225 -0.000) 9.514 4.790 ( 12.010 8.067 -0.000) 14.468 5.181 ( -20.548 -5.322 0.000) 21.226 5.623 ( 10.758 1.093 -0.000) 10.814 6.054 ( -3.081 6.780 0.000) 7.447 6.368 ( -4.406 -13.322 -0.000) 14.032 6.616 ( -3.638 12.149 0.000) 12.682 6.931 ( -2.458 0.919 0.000) 2.624 7.156 ( -0.037 -6.640 -0.000) 6.640 7.560 ( 4.743 0.848 -0.000) 4.818 7.638 ( 5.796 -4.017 -0.000) 7.051 8.196 ( 11.492 0.440 -0.000) 11.500 8.432 ( -2.710 3.209 0.000) 4.200 8.641 ( 0.946 3.922 0.000) 4.035 9.058 ( -4.031 -3.246 0.000) 5.175 9.171 ( -1.769 -1.503 0.000) 2.321 9.598 ( 1.377 2.541 0.000) 2.890 10.322 ( 0.522 0.213 -0.000) 0.564 11.759 ( 7.113 9.875 0.000) 12.170 12.181 ( -4.473 -3.411 0.000) 5.625 12.782 ( 7.790 -3.271 -0.000) 8.449 13.229 ( -5.580 -10.242 -0.000) 11.663 13.650 ( -0.521 7.865 0.000) 7.882 14.205 ( -1.345 -0.022 0.000) 1.345 14.257 ( -4.307 -0.726 0.000) 4.368 15.053 ( 8.278 0.233 -0.000) 8.281 ======================= Grid point 205 (118/156) ======================= q-point: ( 0.20 0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -0.000 -0.000 19.949) 19.949 0.800 ( -0.000 -0.000 19.949) 19.949 1.815 ( -0.000 -0.000 38.274) 38.274 2.136 ( 0.000 0.000 -10.635) 10.635 2.136 ( 0.000 0.000 -10.635) 10.635 2.343 ( -0.000 -0.000 2.608) 2.608 3.207 ( -0.000 -0.000 9.753) 9.753 3.748 ( 0.000 0.000 -0.238) 0.238 3.748 ( 0.000 0.000 -0.238) 0.238 4.375 ( -0.000 -0.000 16.218) 16.218 5.041 ( 0.000 0.000 -18.786) 18.786 5.041 ( 0.000 0.000 -18.786) 18.786 5.289 ( 0.000 0.000 -1.556) 1.556 5.786 ( 0.000 0.000 -5.515) 5.515 6.100 ( 0.000 0.000 -14.972) 14.972 6.100 ( 0.000 0.000 -14.972) 14.972 6.258 ( -0.000 -0.000 16.349) 16.349 6.532 ( 0.000 0.000 -2.947) 2.947 7.447 ( -0.000 -0.000 7.738) 7.738 7.447 ( -0.000 -0.000 7.738) 7.738 7.592 ( 0.000 0.000 -19.739) 19.739 8.320 ( -0.000 -0.000 7.613) 7.613 8.320 ( -0.000 -0.000 7.613) 7.613 8.989 ( -0.000 -0.000 7.041) 7.041 8.989 ( -0.000 -0.000 7.041) 7.041 9.007 ( 0.000 0.000 -18.499) 18.499 10.745 ( -0.000 -0.000 6.670) 6.670 11.236 ( 0.000 0.000 -2.655) 2.655 12.373 ( -0.000 -0.000 0.437) 0.437 12.373 ( -0.000 -0.000 0.437) 0.437 12.921 ( -0.000 -0.000 7.604) 7.604 13.613 ( -0.000 -0.000 0.299) 0.299 13.613 ( -0.000 -0.000 0.299) 0.299 13.790 ( -0.000 -0.000 4.469) 4.469 13.978 ( 0.000 0.000 -6.283) 6.283 14.215 ( 0.000 0.000 -0.364) 0.364 ======================= Grid point 206 (119/156) ======================= q-point: ( 0.20 0.40 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -3.461 -4.087 10.283) 11.594 1.644 ( 4.141 0.538 4.616) 6.224 2.125 ( 24.213 2.255 -8.827) 25.870 2.383 ( 15.392 6.714 -5.732) 17.744 2.548 ( 10.483 -12.848 -2.795) 16.816 2.847 ( 17.277 6.710 3.411) 18.846 3.531 ( -2.287 3.730 17.527) 18.065 3.653 ( -0.763 -6.078 8.489) 10.468 3.905 ( 6.305 2.472 0.375) 6.783 4.468 ( -4.233 4.475 -5.101) 7.998 4.810 ( -0.990 -0.275 7.611) 7.680 4.869 ( 4.001 -8.732 -14.022) 16.996 5.263 ( -1.654 -1.904 -6.667) 7.129 5.480 ( 5.609 7.486 -5.230) 10.717 5.751 ( -4.682 -2.417 -6.803) 8.604 6.185 ( 5.406 -0.757 -6.095) 8.182 6.461 ( -0.867 0.672 7.997) 8.072 6.765 ( 10.647 4.000 7.828) 13.807 7.314 ( 6.892 -0.060 -20.682) 21.801 7.510 ( -2.578 -6.976 2.596) 7.877 7.693 ( 3.789 4.379 4.624) 7.410 8.097 ( -13.921 -8.007 -2.329) 16.228 8.458 ( 1.228 7.826 -3.718) 8.751 8.764 ( -0.163 0.632 -5.219) 5.259 9.036 ( -2.163 0.385 8.070) 8.364 9.162 ( 2.096 -0.731 3.783) 4.386 10.580 ( -17.869 -0.325 5.197) 18.612 10.817 ( -13.207 0.788 7.418) 15.168 11.912 ( -8.802 6.457 -0.957) 10.958 12.205 ( -5.334 -14.731 1.808) 15.771 13.103 ( -5.892 10.880 3.117) 12.759 13.343 ( -3.298 -1.030 4.885) 5.983 13.646 ( 1.476 -2.683 0.195) 3.068 14.087 ( 5.647 1.995 2.059) 6.333 14.195 ( 6.915 -0.963 -0.486) 6.999 14.457 ( 9.763 -1.231 -12.698) 16.065 ======================= Grid point 207 (120/156) ======================= q-point: ( 0.20 0.60 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -5.598 12.800 3.632) 14.435 1.679 ( 4.505 -1.719 -4.048) 6.296 2.456 ( -2.932 1.888 -13.491) 13.934 2.680 ( 7.008 0.666 -5.490) 8.928 3.109 ( 6.932 0.193 10.322) 12.435 3.350 ( 10.409 1.979 0.868) 10.631 3.608 ( 14.047 2.716 -4.516) 15.003 3.991 ( -0.652 0.116 15.935) 15.949 4.072 ( -2.271 -4.291 -0.370) 4.869 4.502 ( -3.114 -1.730 -7.025) 7.876 4.537 ( -0.968 -1.056 0.132) 1.439 4.689 ( -1.076 -7.626 -9.852) 12.505 5.277 ( 2.201 0.280 -2.428) 3.289 5.820 ( 7.803 9.762 15.874) 20.203 5.940 ( 11.050 -12.307 5.736) 17.506 6.146 ( -13.803 12.081 3.628) 18.699 6.591 ( 8.182 -0.831 -9.802) 12.796 7.130 ( 4.661 13.739 -1.800) 14.619 7.320 ( -3.803 -6.362 -0.093) 7.413 7.399 ( 2.894 -8.096 -2.248) 8.887 7.496 ( -6.728 -11.305 -6.318) 14.594 7.873 ( 3.827 0.005 1.342) 4.055 8.498 ( 3.231 5.888 -1.760) 6.943 8.592 ( -2.018 6.385 -3.213) 7.427 9.133 ( -2.001 0.058 7.076) 7.353 9.239 ( -1.156 -1.268 1.776) 2.469 9.903 ( -15.467 -1.052 -0.563) 15.513 10.486 ( -10.057 -0.076 3.888) 10.782 11.655 ( -1.435 6.238 -2.704) 6.948 12.197 ( 2.311 -11.044 0.729) 11.307 12.777 ( -7.237 3.948 0.084) 8.244 13.376 ( -2.308 -6.205 2.311) 7.012 13.670 ( 0.168 7.164 -1.208) 7.268 14.234 ( 1.594 1.214 -1.731) 2.647 14.359 ( -0.684 -0.157 -0.089) 0.708 14.659 ( 10.343 -2.015 0.184) 10.539 ======================= Grid point 225 (121/156) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 5.855 3.121 3.800) 7.646 2.446 ( 2.898 8.702 -0.500) 9.186 2.669 ( 2.475 -3.411 6.493) 7.741 2.879 ( -7.704 -6.656 3.593) 10.796 3.047 ( 7.528 4.157 -0.186) 8.602 3.173 ( -2.730 15.512 2.393) 15.931 3.357 ( 6.739 6.328 -1.741) 9.407 3.636 ( -0.050 0.802 -7.311) 7.355 3.816 ( 0.751 -12.048 -5.755) 13.373 4.190 ( -11.805 -12.644 1.498) 17.363 4.531 ( -1.838 3.667 0.885) 4.196 4.721 ( -0.496 -7.038 2.341) 7.433 5.001 ( 1.453 1.876 9.255) 9.555 5.321 ( -2.179 3.153 -0.282) 3.843 5.405 ( -1.386 -5.480 -8.126) 9.899 6.129 ( -10.658 -7.087 -3.473) 13.262 6.936 ( 9.737 6.139 -1.870) 11.662 7.081 ( 5.795 5.203 -2.241) 8.104 7.892 ( 1.286 -0.617 -4.001) 4.248 8.111 ( 2.390 1.315 6.309) 6.874 8.263 ( 0.829 9.273 3.335) 9.889 8.618 ( 8.813 0.857 -9.075) 12.679 8.686 ( 1.860 -1.059 6.725) 7.057 8.750 ( -2.276 6.628 -2.775) 7.538 8.969 ( 8.364 -0.166 1.497) 8.499 9.101 ( 1.751 8.376 -0.048) 8.557 9.512 ( -5.301 -5.283 5.799) 9.468 9.667 ( -9.555 -9.446 -1.586) 13.529 11.912 ( -0.248 3.269 -4.070) 5.226 12.255 ( -2.905 -3.956 2.051) 5.319 12.537 ( -1.670 -0.234 -1.267) 2.109 12.759 ( -1.617 -7.452 2.483) 8.020 13.743 ( 3.468 6.700 1.158) 7.633 14.170 ( -0.827 -2.777 3.480) 4.529 14.325 ( 0.277 0.225 0.810) 0.885 14.476 ( -6.557 -5.920 -5.932) 10.641 ======================= Grid point 228 (122/156) ======================= q-point: ( 0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 37.073 -0.015 -0.000) 37.073 1.760 ( 4.940 -2.669 -0.000) 5.615 2.254 ( 7.400 11.946 0.000) 14.052 2.779 ( 1.368 -7.165 -0.000) 7.294 3.268 ( 2.254 -4.420 -0.000) 4.962 3.482 ( -14.497 13.580 0.000) 19.864 3.758 ( -9.213 3.356 0.000) 9.805 3.798 ( -2.292 -9.797 -0.000) 10.062 4.107 ( -7.652 -1.289 0.000) 7.759 4.204 ( 2.875 0.214 -0.000) 2.883 4.460 ( -6.917 -4.728 0.000) 8.379 4.744 ( 5.782 -8.032 -0.000) 9.897 5.139 ( -11.223 6.026 0.000) 12.738 5.987 ( -16.865 -10.330 0.000) 19.777 6.056 ( -10.620 4.587 0.000) 11.568 6.072 ( 21.002 18.849 -0.000) 28.220 6.823 ( 9.069 -16.999 -0.000) 19.267 7.011 ( -5.137 11.222 0.000) 12.342 7.180 ( 6.562 10.430 0.000) 12.322 7.503 ( 2.410 -7.353 -0.000) 7.738 7.554 ( 14.211 -10.955 -0.000) 17.944 7.998 ( 1.104 -10.707 -0.000) 10.764 8.671 ( 11.593 5.656 -0.000) 12.899 8.694 ( 5.072 -3.954 -0.000) 6.431 9.084 ( -3.653 6.088 0.000) 7.100 9.183 ( -2.914 4.294 0.000) 5.189 9.627 ( -2.380 5.359 0.000) 5.864 10.296 ( -7.184 4.596 0.000) 8.529 11.859 ( 12.489 -5.682 -0.000) 13.721 12.093 ( -6.504 -4.292 0.000) 7.792 12.712 ( 0.807 3.864 0.000) 3.947 13.068 ( -16.111 5.074 0.000) 16.891 13.808 ( 6.027 2.409 -0.000) 6.491 14.207 ( -2.223 0.889 0.000) 2.395 14.319 ( 0.084 2.647 0.000) 2.648 14.829 ( -4.259 -10.994 -0.000) 11.790 ======================= Grid point 230 (123/156) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -1.001 -6.017 5.169) 7.995 2.533 ( 1.001 6.017 5.169) 7.995 2.618 ( -4.480 -4.034 -3.941) 7.202 2.618 ( 4.480 4.034 -3.941) 7.202 3.393 ( -2.252 -3.249 2.861) 4.880 3.393 ( 2.252 3.249 2.861) 4.880 3.465 ( -7.747 -6.598 5.048) 11.359 3.465 ( 7.747 6.598 5.048) 11.359 3.796 ( 3.221 -14.783 -7.933) 17.084 3.796 ( -3.221 14.783 -7.933) 17.084 4.609 ( 1.499 -6.670 3.668) 7.758 4.609 ( -1.499 6.670 3.668) 7.758 5.089 ( -4.138 -4.231 -1.149) 6.028 5.089 ( 4.138 4.231 -1.149) 6.028 5.733 ( -9.800 -11.372 -1.101) 15.053 5.733 ( 9.800 11.372 -1.101) 15.053 7.142 ( -0.574 -3.798 -5.397) 6.624 7.142 ( 0.574 3.798 -5.397) 6.624 7.986 ( -2.890 -5.290 0.354) 6.039 7.986 ( 2.890 5.290 0.354) 6.039 8.538 ( -2.499 -8.928 10.180) 13.769 8.538 ( 2.499 8.928 10.180) 13.769 8.770 ( 4.145 -4.044 -5.989) 8.331 8.770 ( -4.145 4.044 -5.989) 8.331 9.229 ( -4.619 -5.417 1.765) 7.334 9.229 ( 4.619 5.417 1.765) 7.334 9.360 ( -3.833 -3.403 -2.024) 5.511 9.360 ( 3.833 3.403 -2.024) 5.511 12.046 ( -1.009 -9.059 0.033) 9.115 12.046 ( 1.009 9.059 0.033) 9.115 12.607 ( -0.692 -5.451 -0.017) 5.494 12.607 ( 0.692 5.451 -0.017) 5.494 13.992 ( -3.129 -10.378 0.756) 10.866 13.992 ( 3.129 10.378 0.756) 10.866 14.338 ( -1.057 -0.964 -0.798) 1.639 14.338 ( 1.057 0.964 -0.798) 1.639 ======================= Grid point 234 (124/156) ======================= q-point: ( 0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 14.069 1.108 -0.000) 14.113 2.052 ( 19.665 -8.376 -0.000) 21.375 2.476 ( 3.882 -3.638 -0.000) 5.321 2.723 ( 8.925 -4.093 -0.000) 9.818 3.244 ( 1.722 0.418 -0.000) 1.772 3.363 ( -7.254 -4.756 0.000) 8.674 3.525 ( -4.388 -11.384 -0.000) 12.200 3.535 ( -12.080 -1.104 0.000) 12.130 3.879 ( -9.271 -7.675 0.000) 12.036 4.278 ( -7.537 0.200 0.000) 7.539 4.330 ( 2.911 13.509 0.000) 13.819 4.737 ( 6.573 -2.668 -0.000) 7.094 5.270 ( -2.598 16.748 0.000) 16.948 5.492 ( -12.090 -10.745 0.000) 16.174 5.911 ( -15.143 6.457 0.000) 16.462 6.397 ( -4.914 -16.419 -0.000) 17.138 6.781 ( 14.099 10.814 -0.000) 17.769 7.277 ( 10.035 -14.777 -0.000) 17.862 7.326 ( 12.760 6.042 -0.000) 14.118 7.455 ( 5.983 -3.907 -0.000) 7.146 7.763 ( 14.263 -2.945 -0.000) 14.564 7.840 ( -0.474 -4.842 -0.000) 4.865 8.693 ( 2.652 -1.896 -0.000) 3.260 8.976 ( 11.141 1.442 -0.000) 11.234 9.107 ( -3.648 1.660 0.000) 4.008 9.185 ( -2.270 -1.454 0.000) 2.696 9.754 ( -5.773 16.948 0.000) 17.904 10.223 ( -13.131 8.031 0.000) 15.392 11.845 ( -6.328 -6.954 -0.000) 9.402 12.011 ( 10.995 -1.318 -0.000) 11.074 12.857 ( -14.486 4.606 0.000) 15.200 12.885 ( 0.902 10.543 0.000) 10.581 13.999 ( 6.670 5.577 -0.000) 8.694 14.122 ( -7.402 -2.473 0.000) 7.804 14.351 ( -0.124 0.491 0.000) 0.507 14.517 ( -4.142 -10.373 -0.000) 11.169 ======================= Grid point 239 (125/156) ======================= q-point: ( 0.20 0.80 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 4.997 -6.435 -0.000) 8.147 2.212 ( -1.397 -23.417 -0.000) 23.459 2.288 ( 15.016 3.866 -0.000) 15.505 2.739 ( 5.224 -21.375 -0.000) 22.005 3.177 ( 2.239 -2.328 -0.000) 3.230 3.286 ( 1.468 -7.517 -0.000) 7.659 3.415 ( 3.947 11.450 0.000) 12.111 3.448 ( -6.251 14.831 0.000) 16.095 3.624 ( -2.096 -6.771 -0.000) 7.088 4.172 ( -9.131 4.958 0.000) 10.390 4.714 ( 6.762 13.336 0.000) 14.952 4.910 ( 6.652 1.985 -0.000) 6.941 5.142 ( -3.659 -6.809 -0.000) 7.729 5.471 ( -4.891 7.412 0.000) 8.880 5.736 ( -14.370 5.422 0.000) 15.359 6.082 ( -3.039 -1.317 0.000) 3.312 7.064 ( 11.133 -7.808 -0.000) 13.598 7.122 ( 8.620 -19.693 -0.000) 21.497 7.522 ( 9.377 2.179 -0.000) 9.626 7.706 ( 4.762 -10.092 -0.000) 11.159 7.776 ( 12.211 8.813 -0.000) 15.059 7.866 ( 1.530 -5.800 -0.000) 5.998 8.743 ( 1.549 -1.154 -0.000) 1.932 8.948 ( -2.893 -16.724 -0.000) 16.972 9.011 ( -6.386 2.200 0.000) 6.754 9.161 ( 3.514 2.482 -0.000) 4.302 10.010 ( -7.233 20.517 0.000) 21.755 10.091 ( -15.551 6.397 0.000) 16.816 11.629 ( -3.793 -5.020 -0.000) 6.292 12.246 ( 8.875 5.626 -0.000) 10.508 12.721 ( -7.887 3.601 0.000) 8.670 13.114 ( -0.783 13.140 0.000) 13.163 13.776 ( -12.032 -11.199 0.000) 16.437 14.271 ( 7.205 7.357 0.000) 10.297 14.332 ( 0.400 -1.608 -0.000) 1.657 14.373 ( -0.416 -1.814 -0.000) 1.861 ======================= Grid point 244 (126/156) ======================= q-point: ( 0.20 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 24.777 -0.582 7.326) 25.844 1.736 ( 11.339 -0.128 -4.452) 12.182 2.341 ( -0.394 -16.242 -9.276) 18.708 2.541 ( -1.314 -7.546 -1.789) 7.866 2.872 ( 3.550 -19.539 7.853) 21.355 3.233 ( 2.438 -8.316 -0.239) 8.669 3.428 ( -0.847 -3.234 -6.071) 6.930 3.900 ( -5.120 -7.531 -0.419) 9.116 3.994 ( -10.062 7.614 7.394) 14.625 4.453 ( -8.948 2.728 0.261) 9.358 4.541 ( 3.764 1.554 -1.658) 4.397 4.661 ( -0.638 7.482 -6.747) 10.095 5.365 ( 1.831 -4.025 9.408) 10.395 5.516 ( -7.188 -4.417 -2.875) 8.913 5.832 ( 7.467 -5.421 5.778) 10.888 6.340 ( 2.285 -13.842 -10.386) 17.455 6.523 ( 0.478 2.613 10.349) 10.684 7.150 ( 5.383 -4.260 -9.661) 11.851 7.200 ( 2.201 -10.524 -0.538) 10.765 7.357 ( 0.900 5.794 2.394) 6.333 7.616 ( 1.361 8.838 -8.618) 12.419 7.876 ( 1.384 0.119 1.175) 1.820 8.575 ( 7.673 -0.618 -1.821) 7.910 8.762 ( 6.668 -1.307 -1.458) 6.950 9.140 ( -1.586 0.459 5.648) 5.884 9.198 ( -3.661 -0.612 2.266) 4.349 10.220 ( -3.746 21.407 2.043) 21.828 10.604 ( -9.688 10.973 3.861) 15.139 11.868 ( 5.579 7.382 0.256) 9.257 11.944 ( -7.278 -2.502 -1.809) 7.906 13.047 ( 2.315 11.438 1.474) 11.763 13.209 ( -12.776 2.097 -0.975) 12.983 13.812 ( 7.850 -1.291 5.472) 9.656 14.221 ( -0.249 -2.840 -2.477) 3.776 14.333 ( 0.400 -5.972 1.557) 6.185 14.390 ( -2.418 -6.975 -5.678) 9.313 ======================= Grid point 245 (127/156) ======================= q-point: ( 0.20 -0.20 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -6.213 -31.891 -0.000) 32.490 2.060 ( 4.858 -8.747 -0.000) 10.005 2.342 ( -4.920 -12.693 -0.000) 13.613 2.587 ( 8.810 1.499 -0.000) 8.937 3.165 ( -5.396 2.555 0.000) 5.970 3.371 ( 14.100 0.255 -0.000) 14.102 3.580 ( 9.371 -3.759 -0.000) 10.097 3.741 ( -1.767 15.793 0.000) 15.892 3.824 ( 9.340 16.622 0.000) 19.066 4.122 ( -7.243 6.341 0.000) 9.627 4.773 ( -6.301 -5.994 0.000) 8.696 4.915 ( 1.011 -3.317 -0.000) 3.468 5.217 ( -0.593 3.922 0.000) 3.967 5.514 ( 0.891 9.681 0.000) 9.721 5.683 ( -0.253 7.546 0.000) 7.550 6.253 ( 1.600 15.570 0.000) 15.652 6.825 ( 0.732 -21.766 -0.000) 21.778 7.004 ( 6.383 -13.885 -0.000) 15.282 7.596 ( -1.926 -6.041 -0.000) 6.341 7.718 ( 4.448 -11.808 -0.000) 12.618 7.768 ( 10.090 1.703 -0.000) 10.233 8.087 ( 4.197 2.483 -0.000) 4.877 8.513 ( -0.575 -18.365 -0.000) 18.374 8.577 ( -5.508 -7.137 -0.000) 9.015 9.074 ( -0.903 7.918 0.000) 7.969 9.230 ( -0.296 1.033 0.000) 1.075 9.874 ( -15.357 2.209 0.000) 15.515 10.206 ( -8.102 15.132 0.000) 17.165 11.521 ( -0.369 -1.980 -0.000) 2.014 12.469 ( 2.119 2.450 0.000) 3.239 12.685 ( -1.344 1.481 0.000) 1.999 13.334 ( -2.065 11.516 0.000) 11.699 13.418 ( -5.864 -3.528 0.000) 6.843 14.257 ( -1.006 -2.621 -0.000) 2.807 14.357 ( -0.697 0.255 0.000) 0.742 14.585 ( 9.148 6.228 -0.000) 11.067 ======================= Grid point 249 (128/156) ======================= q-point: ( 0.20 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 6.818 -9.475 -0.542) 11.686 1.891 ( 6.110 -15.873 -4.911) 17.703 2.055 ( 15.301 1.064 -2.936) 15.617 2.246 ( 4.350 -18.515 -1.121) 19.052 2.815 ( 11.804 -3.260 7.027) 14.119 3.043 ( 4.259 -11.808 1.087) 12.600 3.534 ( 2.136 5.523 -1.782) 6.184 3.661 ( -4.331 -2.643 -7.274) 8.869 3.954 ( -10.464 10.816 3.090) 15.363 4.359 ( -4.785 0.990 7.282) 8.769 4.774 ( 11.365 4.397 -0.826) 12.214 4.833 ( 1.056 7.222 -0.092) 7.299 5.178 ( -4.284 -2.354 -3.211) 5.849 5.370 ( -0.645 -9.329 3.662) 10.043 5.990 ( 2.365 3.415 -4.388) 6.042 6.106 ( 4.065 -8.699 -6.159) 11.407 6.468 ( -1.399 -3.729 12.458) 13.079 7.044 ( 3.852 -10.167 -10.925) 15.413 7.224 ( 8.456 -5.403 3.506) 10.630 7.530 ( 5.726 4.278 -0.377) 7.157 7.820 ( -1.240 -3.807 -0.362) 4.020 7.893 ( 5.941 9.949 -8.773) 14.534 8.615 ( -2.104 -14.633 1.637) 14.874 8.729 ( 1.266 -0.981 -2.934) 3.343 9.113 ( -4.363 1.320 4.229) 6.218 9.158 ( 1.025 2.983 3.082) 4.410 10.504 ( -8.950 14.400 2.971) 17.213 10.521 ( -15.809 11.213 3.714) 19.735 11.734 ( -8.190 0.218 -2.770) 8.649 12.248 ( 8.572 11.955 0.073) 14.711 12.924 ( -12.321 -1.176 0.593) 12.392 13.333 ( -0.617 10.646 2.759) 11.015 13.725 ( -6.166 -8.291 4.874) 11.424 14.210 ( 8.106 0.012 -2.413) 8.458 14.256 ( 2.063 -5.389 0.418) 5.785 14.354 ( 3.304 -1.088 -5.592) 6.586 ======================= Grid point 250 (129/156) ======================= q-point: ( 0.20 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -8.982 -22.247 -0.000) 23.992 1.899 ( 5.225 -12.894 -0.000) 13.912 2.106 ( -12.947 0.537 0.000) 12.958 2.721 ( 4.380 0.876 -0.000) 4.467 3.150 ( -0.667 4.021 0.000) 4.076 3.683 ( 9.416 1.300 -0.000) 9.505 3.783 ( 11.712 1.093 -0.000) 11.763 3.838 ( -15.515 13.498 0.000) 20.565 4.078 ( -0.932 -2.346 -0.000) 2.525 4.335 ( 11.948 14.108 0.000) 18.487 4.507 ( -10.251 -7.615 0.000) 12.770 4.786 ( 1.794 -8.760 -0.000) 8.942 5.312 ( -0.928 11.484 0.000) 11.521 5.767 ( -5.716 -7.373 -0.000) 9.329 5.813 ( 1.828 15.009 0.000) 15.119 6.465 ( 0.633 -5.178 -0.000) 5.216 6.600 ( 7.060 4.993 -0.000) 8.647 6.817 ( -5.283 -1.944 0.000) 5.630 7.377 ( -5.455 -8.100 -0.000) 9.765 7.645 ( 7.617 -9.299 -0.000) 12.020 7.770 ( 1.174 -20.796 -0.000) 20.830 8.011 ( 7.452 -0.917 -0.000) 7.508 8.423 ( -1.729 -0.558 0.000) 1.817 8.509 ( 5.798 2.692 -0.000) 6.392 9.184 ( -4.363 -0.835 0.000) 4.442 9.188 ( -0.940 4.482 0.000) 4.579 9.636 ( -10.238 0.771 0.000) 10.267 10.292 ( -4.820 7.450 0.000) 8.874 11.549 ( 3.260 2.393 -0.000) 4.044 12.371 ( -4.846 -6.009 -0.000) 7.720 12.713 ( 3.930 -1.268 -0.000) 4.130 13.410 ( -4.147 1.467 0.000) 4.399 13.466 ( 0.691 9.354 0.000) 9.380 14.215 ( -0.480 -0.136 0.000) 0.499 14.332 ( -2.257 -0.306 0.000) 2.278 14.851 ( 9.008 3.445 -0.000) 9.645 ======================= Grid point 253 (130/156) ======================= q-point: ( 0.20 0.40 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 23.793 2.687 11.285) 26.471 1.415 ( 0.652 -25.074 7.397) 26.150 1.978 ( 9.788 2.588 -8.871) 13.461 1.994 ( -5.082 -10.818 -2.363) 12.184 2.489 ( 11.935 -1.925 0.828) 12.118 2.666 ( 8.347 -16.147 0.049) 18.177 3.548 ( -2.934 0.675 25.234) 25.413 3.702 ( 4.146 4.650 0.623) 6.260 3.805 ( -0.576 -6.076 1.085) 6.199 4.540 ( -6.893 0.840 -5.008) 8.562 4.711 ( 2.758 1.897 -5.244) 6.221 4.868 ( 5.101 -0.451 -1.697) 5.395 5.311 ( 2.053 -1.977 -7.064) 7.618 5.398 ( -7.127 4.180 -7.899) 11.431 5.909 ( 3.449 -4.232 -8.916) 10.455 6.055 ( 5.992 -3.500 -10.531) 12.612 6.437 ( -3.014 0.938 1.588) 3.533 6.684 ( 3.005 -4.328 18.163) 18.911 7.248 ( 3.785 -3.815 -21.494) 22.156 7.534 ( 2.233 4.335 3.275) 5.874 7.650 ( 1.797 -6.967 3.188) 7.870 8.264 ( -1.846 12.529 -3.524) 13.145 8.465 ( -4.917 -7.047 2.595) 8.976 8.745 ( 3.205 -2.196 -8.850) 9.665 9.087 ( -2.079 0.603 6.682) 7.024 9.109 ( 0.454 1.238 5.262) 5.425 10.754 ( -5.319 5.750 5.342) 9.481 10.953 ( -12.717 11.786 3.805) 17.751 12.010 ( -13.656 6.391 1.716) 15.175 12.333 ( 6.205 10.775 0.396) 12.440 13.073 ( -9.622 -3.107 6.635) 12.093 13.452 ( -5.850 4.389 3.789) 8.237 13.607 ( 3.573 2.002 0.802) 4.173 14.039 ( 4.289 -6.701 3.083) 8.533 14.094 ( 6.469 -5.038 -5.435) 9.837 14.337 ( 7.410 -6.519 -9.334) 13.584 ======================= Grid point 254 (131/156) ======================= q-point: ( 0.20 0.60 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -7.641 -21.765 -3.561) 23.340 1.761 ( 1.284 -11.876 -0.890) 11.978 2.322 ( 14.029 -1.039 -14.031) 19.868 2.467 ( 12.850 4.755 -2.737) 13.972 2.931 ( 11.288 -4.539 8.489) 14.835 3.154 ( 11.647 1.774 2.935) 12.141 3.446 ( -1.292 -2.459 -3.893) 4.783 3.828 ( 3.234 9.312 5.176) 11.134 4.082 ( 0.738 8.205 3.289) 8.871 4.317 ( -0.310 2.343 2.956) 3.784 4.827 ( -5.560 -2.594 -1.783) 6.389 4.902 ( -3.855 -6.874 -4.591) 9.121 5.164 ( 6.961 1.255 -6.213) 9.415 5.413 ( 7.112 9.324 10.061) 15.451 5.902 ( 4.852 -5.364 -6.161) 9.501 6.219 ( 4.293 -4.655 4.274) 7.639 6.470 ( 0.064 7.638 5.654) 9.503 6.957 ( 2.433 -3.617 -7.991) 9.103 7.281 ( 9.392 -5.842 -0.775) 11.087 7.609 ( -2.379 -6.348 -0.414) 6.792 7.721 ( 3.020 -1.354 -4.212) 5.357 8.104 ( -11.984 -12.115 4.299) 17.575 8.246 ( 8.603 3.095 -7.388) 11.754 8.646 ( -6.164 -1.141 -2.098) 6.610 9.118 ( -0.620 2.786 5.983) 6.628 9.236 ( 1.390 1.409 1.413) 2.432 10.244 ( -19.960 2.494 2.423) 20.261 10.605 ( -10.796 9.683 4.444) 15.168 11.635 ( -5.326 3.002 -3.987) 7.299 12.410 ( -0.603 -7.951 0.926) 8.027 12.793 ( -5.520 7.106 0.160) 9.000 13.385 ( -3.233 3.923 7.980) 9.462 13.616 ( -1.494 2.451 -4.131) 5.030 14.194 ( 2.482 -3.063 -0.634) 3.994 14.342 ( 2.838 0.001 1.377) 3.155 14.481 ( 9.748 0.277 -4.548) 10.760 ======================= Grid point 255 (132/156) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -6.296 25.203 0.000) 25.978 1.741 ( 5.696 -3.451 -0.000) 6.660 2.146 ( -13.966 3.812 0.000) 14.477 2.746 ( 5.506 1.771 -0.000) 5.784 3.218 ( 2.261 3.082 0.000) 3.823 3.651 ( 0.963 -4.419 -0.000) 4.523 3.804 ( 12.100 0.941 -0.000) 12.137 3.950 ( -4.317 -7.588 -0.000) 8.731 4.092 ( -6.185 8.262 0.000) 10.321 4.310 ( -7.872 -12.383 -0.000) 14.673 4.560 ( 8.832 5.468 -0.000) 10.387 4.636 ( 3.447 -3.206 -0.000) 4.708 5.365 ( 7.980 -9.973 -0.000) 12.773 5.732 ( -26.533 11.806 0.000) 29.042 6.052 ( 4.319 8.131 0.000) 9.207 6.352 ( 4.158 -18.361 -0.000) 18.825 6.565 ( 9.989 12.430 0.000) 15.946 7.070 ( -9.377 12.959 0.000) 15.996 7.200 ( -5.880 -10.369 -0.000) 11.920 7.430 ( 6.971 -9.120 -0.000) 11.479 7.518 ( 7.005 -3.870 -0.000) 8.002 7.997 ( 8.937 -0.580 -0.000) 8.956 8.487 ( -3.278 7.010 0.000) 7.738 8.591 ( 4.477 5.267 0.000) 6.913 9.149 ( -4.859 -2.784 0.000) 5.600 9.221 ( -2.276 -0.605 0.000) 2.355 9.648 ( -7.650 0.083 0.000) 7.650 10.366 ( -5.378 0.111 0.000) 5.379 11.654 ( 3.651 8.519 0.000) 9.268 12.232 ( -0.312 -7.859 -0.000) 7.865 12.701 ( 0.024 0.127 0.000) 0.129 13.325 ( -4.494 -9.890 -0.000) 10.863 13.657 ( -0.145 9.600 0.000) 9.601 14.222 ( -0.354 0.343 0.000) 0.493 14.324 ( -2.678 -0.457 0.000) 2.717 14.878 ( 10.149 -0.646 -0.000) 10.170 ======================= Grid point 258 (133/156) ======================= q-point: ( 0.25 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -1.989 -2.638 11.393) 11.862 1.385 ( 22.603 1.983 10.707) 25.090 1.880 ( -1.065 -0.469 -8.065) 8.148 2.089 ( 13.230 2.890 -6.697) 15.107 2.384 ( 6.779 -6.318 4.541) 10.320 2.538 ( 14.272 4.164 3.481) 15.269 3.575 ( -2.498 0.971 29.949) 30.069 3.692 ( -2.068 -3.743 -3.354) 5.435 3.781 ( 6.104 2.837 -0.770) 6.775 4.569 ( -5.856 1.959 -1.252) 6.300 4.761 ( 4.097 -0.230 -10.900) 11.646 4.793 ( 4.304 -2.774 -1.297) 5.282 5.269 ( 1.503 0.842 -5.372) 5.641 5.508 ( -8.071 -0.071 -7.665) 11.131 5.823 ( -2.474 0.352 -10.952) 11.234 6.019 ( 11.177 -0.673 -12.064) 16.459 6.450 ( 2.893 0.769 -2.625) 3.981 6.663 ( -0.477 0.142 23.188) 23.193 7.212 ( 3.647 0.051 -23.358) 23.641 7.542 ( -0.975 -3.462 3.678) 5.144 7.605 ( 4.761 3.050 3.965) 6.906 8.334 ( -10.722 -5.622 -1.118) 12.158 8.458 ( -0.756 6.430 3.685) 7.449 8.711 ( 5.079 -0.732 -11.295) 12.406 9.087 ( -2.546 0.132 6.726) 7.193 9.127 ( 1.392 -0.190 5.370) 5.551 10.803 ( -6.283 -0.103 5.465) 8.328 11.074 ( -11.052 0.270 0.319) 11.060 12.159 ( -16.602 7.381 2.596) 18.354 12.321 ( -5.646 -11.059 1.006) 12.457 13.128 ( 2.223 5.522 8.812) 10.634 13.479 ( -9.667 1.083 1.325) 9.817 13.623 ( 0.753 -3.897 0.196) 3.974 13.965 ( 7.084 1.855 2.420) 7.712 14.026 ( 11.300 -0.923 -6.563) 13.100 14.267 ( 7.936 -0.269 -5.334) 9.566 ======================= Grid point 259 (134/156) ======================= q-point: ( 0.25 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -4.596 6.024 4.729) 8.932 1.629 ( 0.584 -0.801 -3.736) 3.865 2.331 ( 15.358 1.121 -12.363) 19.748 2.541 ( 7.450 2.245 -3.574) 8.562 2.859 ( 18.546 -2.273 8.487) 20.522 3.193 ( 10.184 1.924 0.636) 10.384 3.428 ( 1.454 0.274 -5.968) 6.149 3.938 ( 6.595 1.697 5.408) 8.696 4.116 ( -3.675 -3.171 12.462) 13.374 4.413 ( 3.856 6.804 -1.685) 8.000 4.684 ( -4.930 -11.309 -5.130) 13.361 4.756 ( -6.682 -7.763 -6.609) 12.191 5.255 ( 1.904 7.256 0.982) 7.566 5.619 ( 12.654 9.562 1.386) 15.921 5.728 ( 7.667 -9.115 6.550) 13.593 6.232 ( 6.685 5.104 -3.314) 9.040 6.543 ( -2.393 0.102 1.396) 2.773 7.014 ( 5.696 7.486 -4.880) 10.597 7.201 ( 9.416 -2.311 -1.176) 9.767 7.455 ( -5.512 -8.543 0.680) 10.190 7.669 ( -6.053 -5.207 -8.835) 11.908 7.885 ( -4.926 -4.567 4.675) 8.184 8.411 ( 3.296 9.405 -3.923) 10.710 8.664 ( -3.646 3.193 -2.322) 5.374 9.150 ( -0.211 0.573 6.210) 6.239 9.242 ( 0.669 -0.921 1.523) 1.901 10.263 ( -21.131 -0.611 2.104) 21.245 10.700 ( -11.624 -0.041 4.469) 12.453 11.727 ( -6.255 6.522 -2.536) 9.385 12.175 ( -0.659 -13.962 0.996) 14.013 12.948 ( -10.248 7.355 0.418) 12.621 13.410 ( -1.378 -5.035 3.991) 6.571 13.661 ( 0.803 5.382 -1.217) 5.576 14.188 ( 3.156 2.133 -0.415) 3.832 14.338 ( 3.715 -0.434 1.263) 3.947 14.452 ( 10.751 -3.102 -4.887) 12.210 ======================= Grid point 285 (135/156) ======================= q-point: ( 0.25 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 30.938 -1.394 -0.000) 30.970 1.703 ( 8.718 -2.578 -0.000) 9.091 2.399 ( 4.132 0.989 -0.000) 4.249 2.647 ( 1.276 -6.464 -0.000) 6.589 3.215 ( 1.162 -0.311 -0.000) 1.203 3.391 ( 0.638 -20.049 -0.000) 20.060 3.566 ( -0.145 -13.581 -0.000) 13.581 3.853 ( -16.195 11.150 0.000) 19.662 4.084 ( -11.726 -7.675 0.000) 14.015 4.315 ( -1.876 12.370 0.000) 12.511 4.429 ( -7.693 1.333 0.000) 7.808 4.611 ( 6.742 -5.866 -0.000) 8.937 5.294 ( 0.503 9.718 0.000) 9.731 5.743 ( -13.181 -13.761 -0.000) 19.055 6.133 ( -6.946 1.509 0.000) 7.108 6.379 ( 5.173 -2.416 -0.000) 5.709 6.508 ( 15.627 -1.246 -0.000) 15.677 7.166 ( -0.205 -11.152 -0.000) 11.154 7.222 ( -2.408 9.986 0.000) 10.272 7.374 ( 2.256 -5.025 -0.000) 5.508 7.481 ( 14.378 1.040 -0.000) 14.416 7.858 ( -1.107 -2.254 -0.000) 2.511 8.607 ( 5.991 -4.449 -0.000) 7.462 8.746 ( 11.834 2.239 -0.000) 12.044 9.174 ( -3.157 3.108 0.000) 4.430 9.227 ( -1.651 -0.056 0.000) 1.652 9.846 ( -3.783 17.330 0.000) 17.738 10.437 ( -8.535 9.690 0.000) 12.913 11.802 ( 10.503 0.003 -0.000) 10.503 11.997 ( -9.529 -4.979 0.000) 10.752 12.847 ( 2.973 9.667 0.000) 10.114 13.149 ( -15.292 3.408 0.000) 15.668 13.849 ( 9.163 1.797 -0.000) 9.338 14.214 ( -2.070 -0.254 0.000) 2.085 14.353 ( -0.129 0.706 0.000) 0.718 14.600 ( -4.360 -12.944 -0.000) 13.658 ======================= Grid point 290 (136/156) ======================= q-point: (-0.75 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 15.431 -6.491 -0.000) 16.741 1.961 ( 16.933 2.493 -0.000) 17.115 2.250 ( -1.009 -19.017 -0.000) 19.044 2.588 ( 6.750 -12.478 -0.000) 14.187 3.069 ( 6.686 -13.853 -0.000) 15.382 3.281 ( 0.908 -11.805 -0.000) 11.840 3.340 ( 2.332 6.808 0.000) 7.196 3.668 ( -13.137 -1.199 0.000) 13.191 3.775 ( -12.865 5.228 0.000) 13.886 4.340 ( -8.515 5.547 0.000) 10.162 4.601 ( 4.577 13.487 0.000) 14.242 4.722 ( 10.490 1.311 -0.000) 10.571 5.285 ( -9.625 -10.790 -0.000) 14.459 5.527 ( -0.001 7.437 0.000) 7.437 5.989 ( -10.085 0.507 0.000) 10.098 6.114 ( 0.216 -10.507 -0.000) 10.509 6.850 ( 10.929 -3.945 -0.000) 11.619 6.968 ( 5.708 -15.433 -0.000) 16.455 7.376 ( 5.554 3.956 -0.000) 6.819 7.559 ( 9.781 10.322 0.000) 14.220 7.561 ( 8.361 -11.212 -0.000) 13.986 7.875 ( -0.805 0.596 0.000) 1.001 8.682 ( 4.891 0.670 -0.000) 4.937 8.904 ( 7.223 -10.264 -0.000) 12.550 9.127 ( -5.392 0.972 0.000) 5.479 9.152 ( -2.637 0.341 0.000) 2.659 10.142 ( -6.263 22.033 0.000) 22.906 10.390 ( -15.195 8.883 0.000) 17.601 11.740 ( -7.815 -3.796 0.000) 8.688 12.062 ( 10.188 6.618 -0.000) 12.149 12.921 ( -13.015 1.963 0.000) 13.162 13.111 ( 1.217 12.857 0.000) 12.915 14.008 ( -11.543 -9.958 0.000) 15.245 14.096 ( 10.574 4.407 -0.000) 11.455 14.336 ( -0.203 -2.222 -0.000) 2.232 14.368 ( 0.893 -4.651 -0.000) 4.736 ======================= Grid point 296 (137/156) ======================= q-point: ( 0.25 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -6.102 -28.115 -0.000) 28.770 1.973 ( 4.517 -6.862 -0.000) 8.216 2.335 ( 5.502 -17.305 -0.000) 18.159 2.364 ( 14.750 3.996 -0.000) 15.281 3.146 ( 8.792 -6.947 -0.000) 11.205 3.161 ( 7.676 0.204 -0.000) 7.679 3.483 ( -0.097 -5.596 -0.000) 5.597 3.665 ( 7.547 13.681 0.000) 15.624 3.774 ( -5.391 16.283 0.000) 17.152 4.297 ( -9.528 7.092 0.000) 11.878 4.879 ( 2.906 2.893 -0.000) 4.101 4.892 ( -5.094 -3.731 0.000) 6.314 5.080 ( 10.070 0.410 -0.000) 10.079 5.503 ( 0.200 -0.213 -0.000) 0.293 5.806 ( -8.394 1.496 0.000) 8.526 6.196 ( 4.872 9.411 0.000) 10.597 6.771 ( 3.342 -15.433 -0.000) 15.790 6.859 ( 8.164 -10.888 -0.000) 13.609 7.500 ( 7.364 -10.058 -0.000) 12.466 7.597 ( 7.666 3.861 -0.000) 8.583 7.764 ( -4.381 -6.041 -0.000) 7.462 7.955 ( 8.862 10.110 0.000) 13.444 8.568 ( -4.088 -22.009 -0.000) 22.386 8.679 ( -4.140 -4.036 0.000) 5.782 9.098 ( -1.994 5.365 0.000) 5.724 9.208 ( 1.828 2.208 0.000) 2.866 10.198 ( -18.202 4.687 0.000) 18.796 10.380 ( -9.418 17.521 0.000) 19.892 11.572 ( -4.906 -0.895 0.000) 4.987 12.389 ( 5.966 7.826 0.000) 9.841 12.751 ( -6.048 -0.210 0.000) 6.052 13.360 ( -0.656 11.872 0.000) 11.890 13.577 ( -10.235 -8.107 0.000) 13.056 14.265 ( 0.030 -4.345 -0.000) 4.345 14.356 ( 0.897 -0.280 -0.000) 0.939 14.396 ( 10.903 4.631 -0.000) 11.846 ======================= Grid point 301 (138/156) ======================= q-point: ( 0.25 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 22.473 0.518 3.828) 22.802 1.767 ( 10.282 3.466 -0.710) 10.874 1.934 ( -0.277 -24.812 -9.741) 26.657 2.314 ( -9.050 -18.099 1.872) 20.321 2.585 ( 11.740 -6.742 4.297) 14.204 2.972 ( 3.502 -15.927 0.492) 16.315 3.495 ( 0.729 5.738 -5.117) 7.723 3.755 ( -3.897 -6.971 -5.568) 9.736 4.123 ( -5.883 5.759 14.731) 16.875 4.470 ( -5.117 -0.125 3.281) 6.079 4.590 ( 5.046 2.990 -1.113) 5.970 4.835 ( -1.551 8.965 -2.427) 9.417 5.261 ( -2.268 -2.915 5.832) 6.903 5.359 ( 0.123 -11.793 -5.790) 13.138 5.818 ( 11.776 1.509 -1.487) 11.965 6.062 ( 2.109 -14.805 -11.020) 18.576 6.514 ( -2.053 -3.040 5.458) 6.576 6.985 ( 3.499 -9.088 -18.480) 20.889 7.100 ( 3.341 -1.951 17.811) 18.226 7.479 ( -0.556 6.116 1.449) 6.310 7.797 ( 4.067 2.337 -5.615) 7.316 7.857 ( -3.323 4.770 -5.682) 8.128 8.592 ( 5.587 0.716 1.403) 5.805 8.692 ( 0.903 -4.751 -3.555) 6.002 9.156 ( -0.408 1.476 4.443) 4.699 9.189 ( -3.107 -0.339 2.972) 4.313 10.613 ( -3.844 18.045 3.115) 18.711 10.799 ( -10.798 9.309 2.466) 14.468 11.939 ( -13.142 2.635 0.135) 13.404 12.076 ( 8.956 13.684 -0.070) 16.354 13.186 ( -12.814 0.803 2.489) 13.078 13.319 ( 1.320 11.301 0.014) 11.378 13.750 ( 5.378 -5.431 7.342) 10.598 14.099 ( 0.832 -8.982 -8.102) 12.124 14.206 ( 3.719 -4.962 2.366) 6.637 14.308 ( 1.188 -4.188 -4.376) 6.172 ======================= Grid point 302 (139/156) ======================= q-point: ( 0.25 -0.25 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -9.756 -19.423 -0.000) 21.736 1.803 ( 4.287 -13.647 -0.000) 14.305 2.270 ( -2.900 1.371 0.000) 3.208 2.609 ( 7.191 1.017 -0.000) 7.262 3.195 ( -3.116 0.744 0.000) 3.204 3.374 ( 19.017 0.129 -0.000) 19.017 3.536 ( 12.484 -0.586 -0.000) 12.497 4.003 ( -0.131 10.246 0.000) 10.247 4.144 ( 7.757 16.007 0.000) 17.787 4.200 ( -10.111 1.222 0.000) 10.184 4.673 ( -7.488 -5.772 0.000) 9.454 4.784 ( -1.414 -8.714 -0.000) 8.828 5.243 ( 5.641 -0.433 -0.000) 5.658 5.722 ( 7.501 10.995 0.000) 13.310 5.878 ( -1.412 13.103 0.000) 13.179 6.452 ( 8.614 -1.749 -0.000) 8.790 6.467 ( -3.305 -13.947 -0.000) 14.333 6.850 ( 1.835 4.254 0.000) 4.633 7.465 ( 3.540 -6.729 -0.000) 7.603 7.528 ( -2.316 -9.099 -0.000) 9.389 7.725 ( 4.433 -9.438 -0.000) 10.427 7.975 ( -4.859 -10.205 -0.000) 11.303 8.366 ( 8.999 3.198 -0.000) 9.551 8.499 ( -5.941 -0.585 0.000) 5.970 9.191 ( 0.286 4.276 0.000) 4.285 9.239 ( -1.239 -0.177 0.000) 1.251 9.902 ( -17.078 0.639 0.000) 17.090 10.440 ( -10.168 8.816 0.000) 13.458 11.529 ( -1.202 2.817 0.000) 3.063 12.417 ( -0.277 -8.639 -0.000) 8.644 12.707 ( -2.991 2.678 0.000) 4.015 13.468 ( -1.131 7.708 0.000) 7.790 13.478 ( -2.907 2.262 0.000) 3.684 14.211 ( 0.866 -1.350 -0.000) 1.604 14.360 ( -0.640 -0.008 0.000) 0.640 14.666 ( 10.482 2.166 -0.000) 10.704 ======================= Grid point 306 (140/156) ======================= q-point: ( 0.25 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -4.648 -22.252 -2.856) 22.910 1.769 ( 0.735 -7.455 1.585) 7.657 1.962 ( 18.982 -6.231 -8.862) 21.855 2.184 ( 15.779 8.451 0.465) 17.906 2.740 ( 9.046 -8.311 2.925) 12.628 2.884 ( 14.768 -2.117 3.428) 15.307 3.534 ( -5.517 -2.257 -5.380) 8.030 3.719 ( 6.793 5.107 -2.815) 8.953 4.139 ( -5.189 7.607 10.632) 14.065 4.345 ( -3.246 -1.040 8.139) 8.824 4.811 ( 8.084 -1.333 -1.758) 8.380 4.957 ( -2.168 3.435 4.694) 6.207 5.113 ( -2.276 -3.586 -12.728) 13.418 5.303 ( 3.949 4.330 4.055) 7.126 5.823 ( 3.063 -13.063 -7.284) 15.267 6.057 ( 11.185 -1.481 -5.322) 12.475 6.479 ( 0.541 3.027 6.101) 6.832 6.917 ( 2.516 -3.307 -12.814) 13.471 7.128 ( 5.164 -3.522 11.047) 12.692 7.622 ( 1.420 3.939 -0.587) 4.228 7.692 ( -0.028 -6.802 -0.036) 6.802 8.101 ( 5.756 6.412 -12.355) 15.062 8.337 ( -11.520 -9.387 3.266) 15.215 8.718 ( -0.687 -0.930 -1.733) 2.083 9.141 ( -1.950 1.384 4.956) 5.502 9.208 ( 1.325 1.932 2.333) 3.306 10.618 ( -17.693 3.655 2.774) 18.278 10.796 ( -9.083 10.714 3.314) 14.432 11.780 ( -10.299 4.576 -1.518) 11.372 12.411 ( 1.391 0.169 0.309) 1.435 12.935 ( -10.143 6.195 1.540) 11.984 13.459 ( -3.988 1.430 6.728) 7.951 13.642 ( -1.293 0.142 -1.476) 1.967 14.143 ( 3.278 -5.321 0.128) 6.251 14.202 ( 11.781 -1.273 -1.713) 11.973 14.331 ( 5.569 -1.338 -4.717) 7.420 ======================= Grid point 307 (141/156) ======================= q-point: ( 0.30 -0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -6.316 17.279 0.000) 18.397 1.638 ( 4.413 -2.644 -0.000) 5.145 2.323 ( -2.742 3.627 0.000) 4.547 2.629 ( 6.519 0.978 -0.000) 6.592 3.202 ( -0.787 0.293 0.000) 0.839 3.379 ( 21.137 0.471 -0.000) 21.143 3.549 ( 13.584 1.395 -0.000) 13.655 4.057 ( -4.679 -5.032 -0.000) 6.872 4.210 ( -3.137 -0.098 0.000) 3.139 4.407 ( 6.628 10.933 0.000) 12.785 4.482 ( -9.362 -13.905 -0.000) 16.763 4.618 ( -1.068 -8.088 -0.000) 8.159 5.257 ( 1.907 2.359 0.000) 3.033 5.877 ( 12.991 2.494 -0.000) 13.228 6.172 ( -6.220 16.987 0.000) 18.090 6.262 ( 5.636 -10.802 -0.000) 12.184 6.330 ( 1.662 -0.626 -0.000) 1.776 7.092 ( 7.951 14.265 0.000) 16.331 7.348 ( -8.273 -8.453 -0.000) 11.828 7.378 ( 7.025 -3.095 -0.000) 7.676 7.434 ( -6.694 -14.216 -0.000) 15.713 7.884 ( 1.821 -1.866 -0.000) 2.607 8.479 ( 6.694 7.030 0.000) 9.707 8.561 ( -4.362 6.923 0.000) 8.183 9.221 ( -2.403 -1.721 0.000) 2.956 9.238 ( 0.309 0.772 0.000) 0.832 9.895 ( -17.614 -1.393 0.000) 17.669 10.524 ( -10.691 -0.186 0.000) 10.692 11.628 ( -1.095 7.448 0.000) 7.528 12.204 ( 2.220 -11.938 -0.000) 12.142 12.778 ( -7.329 4.054 0.000) 8.375 13.400 ( -3.325 -9.802 -0.000) 10.351 13.655 ( 0.344 10.755 0.000) 10.760 14.215 ( 1.056 1.105 0.000) 1.528 14.357 ( -0.724 -0.278 0.000) 0.776 14.666 ( 12.125 -2.049 -0.000) 12.297 ======================= Grid point 310 (142/156) ======================= q-point: ( 0.30 0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -0.000 -0.000 11.902) 11.902 1.105 ( -0.000 -0.000 11.902) 11.902 1.952 ( 0.000 0.000 -7.597) 7.597 1.952 ( 0.000 0.000 -7.597) 7.597 2.284 ( -0.000 -0.000 13.641) 13.641 2.391 ( -0.000 -0.000 2.481) 2.481 3.609 ( -0.000 -0.000 33.295) 33.295 3.711 ( 0.000 0.000 -4.299) 4.299 3.711 ( 0.000 0.000 -4.299) 4.299 4.660 ( -0.000 -0.000 14.723) 14.723 4.717 ( 0.000 0.000 -15.149) 15.149 4.717 ( 0.000 0.000 -15.149) 15.149 5.250 ( 0.000 0.000 -2.925) 2.925 5.655 ( 0.000 0.000 -9.168) 9.168 5.845 ( 0.000 0.000 -12.524) 12.524 5.845 ( 0.000 0.000 -12.524) 12.524 6.414 ( 0.000 0.000 -2.231) 2.231 6.686 ( -0.000 -0.000 22.805) 22.805 7.178 ( 0.000 0.000 -24.741) 24.741 7.551 ( -0.000 -0.000 3.922) 3.922 7.551 ( -0.000 -0.000 3.922) 3.922 8.468 ( -0.000 -0.000 7.905) 7.905 8.468 ( -0.000 -0.000 7.905) 7.905 8.628 ( 0.000 0.000 -22.814) 22.814 9.114 ( -0.000 -0.000 6.157) 6.157 9.114 ( -0.000 -0.000 6.157) 6.157 10.859 ( -0.000 -0.000 5.682) 5.682 11.180 ( 0.000 0.000 -3.497) 3.497 12.381 ( -0.000 -0.000 0.444) 0.444 12.381 ( -0.000 -0.000 0.444) 0.444 13.085 ( -0.000 -0.000 10.118) 10.118 13.618 ( -0.000 -0.000 0.308) 0.308 13.618 ( -0.000 -0.000 0.308) 0.308 13.845 ( 0.000 0.000 -8.260) 8.260 13.882 ( -0.000 -0.000 5.446) 5.446 14.195 ( 0.000 0.000 -1.806) 1.806 ======================= Grid point 311 (143/156) ======================= q-point: ( 0.30 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -2.686 1.819 3.467) 4.748 1.664 ( -4.321 -0.629 -1.160) 4.518 1.931 ( 25.000 0.380 -9.639) 26.796 2.370 ( 13.407 10.499 2.789) 17.256 2.529 ( 11.553 -12.021 0.554) 16.681 2.910 ( 17.057 2.908 2.847) 17.535 3.502 ( -5.502 -1.110 -6.660) 8.709 3.782 ( 8.585 1.116 -2.381) 8.978 4.189 ( -3.429 -1.557 23.371) 23.672 4.399 ( -2.438 6.311 -2.656) 7.269 4.704 ( 2.610 -9.226 -2.700) 9.961 4.896 ( -6.271 -4.672 -0.965) 7.879 5.193 ( 3.219 6.930 0.630) 7.667 5.395 ( 8.797 1.118 -3.932) 9.700 5.664 ( 0.507 0.074 -1.688) 1.764 6.033 ( 12.127 0.114 -10.166) 15.825 6.525 ( 4.711 1.045 2.244) 5.322 6.912 ( 6.311 2.639 -16.173) 17.560 7.090 ( 0.728 -0.951 18.615) 18.653 7.544 ( -3.492 -5.854 1.166) 6.915 7.720 ( 0.671 4.165 -3.237) 5.317 7.984 ( -4.996 -9.890 -8.867) 14.191 8.428 ( -4.875 10.389 0.272) 11.479 8.697 ( 0.659 -0.976 -1.912) 2.246 9.158 ( -0.966 0.331 5.087) 5.189 9.223 ( 1.045 -0.437 2.290) 2.555 10.651 ( -17.960 -0.156 2.745) 18.169 10.902 ( -9.230 0.193 2.371) 9.532 11.902 ( -12.470 7.957 -0.238) 14.794 12.231 ( -4.962 -15.097 0.982) 15.922 13.151 ( -10.405 11.645 1.961) 15.739 13.433 ( -1.355 -5.348 4.702) 7.249 13.640 ( 1.205 1.367 -0.900) 2.032 14.110 ( 6.685 1.417 -0.838) 6.885 14.163 ( 11.417 -1.873 -1.505) 11.667 14.308 ( 5.678 -0.873 -3.761) 6.867 ======================= Grid point 343 (144/156) ======================= q-point: (-0.70 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 24.167 -2.323 -0.000) 24.279 1.682 ( 10.995 0.902 -0.000) 11.032 2.249 ( 1.197 -16.039 -0.000) 16.084 2.533 ( 0.467 -6.065 -0.000) 6.083 2.964 ( 3.585 -22.492 -0.000) 22.776 3.232 ( 2.608 -5.628 -0.000) 6.203 3.340 ( -0.692 -3.168 -0.000) 3.243 3.884 ( -8.877 -11.130 -0.000) 14.237 4.068 ( -16.194 10.097 0.000) 19.084 4.502 ( -8.580 4.991 0.000) 9.926 4.532 ( 9.825 -1.156 -0.000) 9.893 4.558 ( -0.638 12.218 0.000) 12.234 5.452 ( 7.714 4.968 -0.000) 9.175 5.481 ( -10.126 -13.379 -0.000) 16.780 6.056 ( 6.014 -17.165 -0.000) 18.188 6.079 ( -0.344 -7.465 -0.000) 7.473 6.664 ( 8.010 3.281 -0.000) 8.656 6.940 ( -1.288 -11.116 -0.000) 11.191 7.318 ( 1.210 3.830 0.000) 4.017 7.433 ( 2.382 8.885 0.000) 9.198 7.439 ( 2.678 -3.491 -0.000) 4.400 7.887 ( -0.701 1.653 0.000) 1.796 8.557 ( 8.215 0.004 -0.000) 8.215 8.749 ( 7.672 -2.221 -0.000) 7.987 9.205 ( -2.149 -1.366 0.000) 2.546 9.208 ( -3.043 0.813 0.000) 3.150 10.239 ( -3.755 22.373 0.000) 22.686 10.639 ( -10.015 10.733 0.000) 14.680 11.869 ( 9.749 7.186 -0.000) 12.111 11.928 ( -11.882 -1.787 0.000) 12.016 13.063 ( 4.000 12.630 0.000) 13.248 13.197 ( -15.167 1.661 0.000) 15.258 13.873 ( 12.540 0.590 -0.000) 12.554 14.178 ( -4.796 -5.055 -0.000) 6.968 14.340 ( -0.262 -2.174 -0.000) 2.190 14.355 ( -0.845 -11.157 -0.000) 11.189 ======================= Grid point 349 (145/156) ======================= q-point: ( 0.30 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -4.071 -25.513 -0.000) 25.836 1.815 ( 14.628 -2.825 -0.000) 14.898 2.046 ( 17.465 6.001 -0.000) 18.467 2.237 ( 0.716 -21.642 -0.000) 21.654 2.930 ( 14.534 -2.468 -0.000) 14.742 3.030 ( 4.104 -13.274 -0.000) 13.894 3.518 ( 6.685 9.957 0.000) 11.993 3.556 ( -6.466 -6.003 0.000) 8.823 3.976 ( -13.599 11.311 0.000) 17.688 4.455 ( -6.711 5.336 0.000) 8.574 4.795 ( 10.840 6.622 -0.000) 12.703 4.813 ( 3.580 7.897 0.000) 8.671 5.092 ( -7.816 -9.248 -0.000) 12.109 5.493 ( 1.564 -7.838 -0.000) 7.993 5.902 ( -0.985 -9.064 -0.000) 9.118 6.053 ( 10.116 0.888 -0.000) 10.155 6.717 ( 6.341 -7.236 -0.000) 9.621 6.741 ( -0.229 -8.200 -0.000) 8.203 7.393 ( 2.900 -5.724 -0.000) 6.417 7.481 ( 4.333 5.612 0.000) 7.090 7.776 ( 9.416 11.946 0.000) 15.211 7.824 ( -1.896 -5.522 -0.000) 5.838 8.633 ( -2.319 -16.340 -0.000) 16.504 8.702 ( 2.048 0.865 -0.000) 2.224 9.154 ( -3.576 1.866 0.000) 4.033 9.186 ( 0.176 2.370 0.000) 2.377 10.541 ( -7.125 18.782 0.000) 20.088 10.544 ( -17.285 6.917 0.000) 18.618 11.709 ( -9.583 0.656 0.000) 9.605 12.249 ( 8.522 11.981 0.000) 14.703 12.929 ( -12.645 -0.859 0.000) 12.674 13.358 ( 0.996 12.368 0.000) 12.408 13.783 ( -10.779 -11.925 -0.000) 16.075 14.158 ( 14.042 1.751 -0.000) 14.151 14.264 ( 0.178 -5.177 -0.000) 5.180 14.319 ( 3.114 -1.365 -0.000) 3.400 ======================= Grid point 355 (146/156) ======================= q-point: ( 0.30 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -8.113 -18.522 -0.000) 20.221 1.754 ( 0.376 -13.348 -0.000) 13.353 2.182 ( 12.133 -0.710 -0.000) 12.154 2.442 ( 10.603 4.173 -0.000) 11.394 3.027 ( 16.322 -5.409 -0.000) 17.195 3.175 ( 8.654 1.070 -0.000) 8.720 3.395 ( -0.186 -3.415 -0.000) 3.420 3.893 ( 9.952 9.141 -0.000) 13.513 4.074 ( -1.234 14.812 0.000) 14.864 4.386 ( -8.553 1.006 0.000) 8.612 4.810 ( -6.990 -5.576 0.000) 8.941 4.826 ( -2.524 -6.999 -0.000) 7.440 5.119 ( 7.594 4.025 -0.000) 8.595 5.551 ( 9.604 4.620 -0.000) 10.657 5.816 ( 5.577 1.396 -0.000) 5.749 6.261 ( 11.745 -5.225 -0.000) 12.855 6.579 ( -5.959 -4.735 0.000) 7.611 6.769 ( 5.905 3.586 -0.000) 6.909 7.350 ( 4.177 -5.282 -0.000) 6.734 7.629 ( -4.732 -7.834 -0.000) 9.152 7.631 ( 4.664 -1.351 -0.000) 4.856 8.146 ( -10.328 -4.544 0.000) 11.284 8.175 ( 9.764 -3.057 -0.000) 10.232 8.624 ( -6.269 -1.321 0.000) 6.407 9.184 ( 0.204 3.377 0.000) 3.383 9.240 ( 0.684 1.033 0.000) 1.239 10.265 ( -20.431 2.298 0.000) 20.559 10.648 ( -10.806 9.975 0.000) 14.707 11.597 ( -6.081 3.529 0.000) 7.031 12.418 ( -0.307 -7.451 -0.000) 7.457 12.795 ( -5.871 7.050 0.000) 9.174 13.515 ( -3.908 2.090 0.000) 4.432 13.521 ( -1.659 3.433 0.000) 3.813 14.184 ( 1.869 -2.997 -0.000) 3.532 14.353 ( 1.534 -0.223 -0.000) 1.550 14.446 ( 12.828 0.474 -0.000) 12.837 ======================= Grid point 360 (147/156) ======================= q-point: ( 0.30 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 17.153 -5.161 -1.878) 18.011 1.439 ( 3.946 -17.711 -3.052) 18.400 1.902 ( 9.440 7.630 1.501) 12.230 1.973 ( -6.893 -13.444 0.938) 15.138 2.542 ( 11.688 -0.272 4.565) 12.551 2.675 ( 6.323 -14.183 0.264) 15.531 3.581 ( 1.198 2.743 -4.938) 5.774 3.651 ( -0.360 -3.590 -7.997) 8.774 4.216 ( -2.684 3.880 24.279) 24.734 4.454 ( -7.246 -1.140 1.466) 7.480 4.630 ( 8.847 1.061 -0.530) 8.926 4.962 ( 1.361 2.521 6.145) 6.780 5.165 ( -1.442 -5.689 -8.561) 10.379 5.287 ( -2.711 4.733 -4.110) 6.830 5.772 ( 3.817 -9.461 -6.487) 12.090 5.846 ( 8.565 -3.911 -10.838) 14.357 6.448 ( 2.038 -2.800 1.938) 3.968 6.842 ( 4.363 -5.435 -20.113) 21.287 7.106 ( -1.501 1.659 24.633) 24.735 7.580 ( 1.858 4.567 1.214) 5.077 7.693 ( 0.783 -6.952 1.504) 7.156 8.051 ( -0.747 8.546 -18.189) 20.111 8.524 ( -7.709 -4.559 3.096) 9.476 8.669 ( 5.225 0.288 -0.471) 5.254 9.184 ( -1.765 0.331 3.789) 4.193 9.192 ( 0.100 1.352 3.303) 3.570 10.844 ( -5.787 6.014 4.562) 9.512 10.967 ( -8.244 7.907 -1.429) 11.512 12.037 ( -16.233 7.306 1.119) 17.836 12.339 ( 5.958 10.658 0.222) 12.213 13.176 ( -13.720 0.521 4.182) 14.353 13.517 ( -1.657 5.998 2.767) 6.811 13.642 ( 3.052 -2.960 3.673) 5.618 13.941 ( 10.562 -7.523 -9.494) 16.071 14.103 ( 2.957 -5.530 3.323) 7.097 14.235 ( 4.197 -3.038 -3.333) 6.161 ======================= Grid point 361 (148/156) ======================= q-point: ( 0.35 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -4.411 9.874 0.000) 10.814 1.591 ( 0.128 -2.156 -0.000) 2.160 2.210 ( 14.158 2.443 -0.000) 14.367 2.511 ( 5.571 2.531 -0.000) 6.119 2.951 ( 23.003 -2.142 -0.000) 23.102 3.197 ( 7.280 1.292 -0.000) 7.394 3.354 ( 1.809 -1.107 -0.000) 2.121 3.980 ( 10.713 -0.468 -0.000) 10.724 4.319 ( -7.418 -8.451 -0.000) 11.245 4.329 ( 1.206 11.863 0.000) 11.924 4.651 ( -8.251 -8.996 -0.000) 12.207 4.668 ( -4.028 -8.806 -0.000) 9.683 5.265 ( -0.918 10.442 0.000) 10.482 5.606 ( 14.450 -1.187 -0.000) 14.499 5.909 ( 16.219 7.888 -0.000) 18.035 6.112 ( 10.255 -5.898 -0.000) 11.830 6.563 ( -8.507 2.423 0.000) 8.845 6.899 ( 10.993 6.480 -0.000) 12.761 7.301 ( -0.750 -0.134 0.000) 0.762 7.485 ( -5.830 -6.472 -0.000) 8.710 7.516 ( -1.618 -9.003 -0.000) 9.147 7.929 ( -3.488 -5.195 -0.000) 6.257 8.374 ( 2.450 10.684 0.000) 10.962 8.641 ( -3.663 3.338 0.000) 4.956 9.222 ( 1.059 0.499 -0.000) 1.171 9.244 ( -0.265 -0.753 -0.000) 0.799 10.281 ( -21.788 -0.688 0.000) 21.799 10.742 ( -11.231 -0.336 0.000) 11.236 11.703 ( -6.993 7.400 0.000) 10.181 12.184 ( -0.749 -14.382 -0.000) 14.402 12.953 ( -10.572 7.618 0.000) 13.031 13.453 ( -2.238 -10.046 -0.000) 10.292 13.644 ( 0.839 10.477 0.000) 10.510 14.181 ( 2.555 1.969 -0.000) 3.225 14.347 ( 1.931 -0.384 -0.000) 1.968 14.414 ( 14.290 -3.496 -0.000) 14.712 ======================= Grid point 366 (149/156) ======================= q-point: ( 0.35 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.250 0.204 -0.067) 0.329 1.442 ( 23.138 0.250 -4.068) 23.494 1.801 ( -8.825 -1.326 1.029) 8.983 2.067 ( 14.155 3.307 3.737) 15.009 2.431 ( 1.668 -4.573 1.296) 5.037 2.596 ( 14.751 2.536 2.710) 15.211 3.578 ( -2.119 -1.293 -7.469) 7.871 3.645 ( 5.257 1.323 -6.261) 8.282 4.250 ( -3.270 -0.582 31.582) 31.756 4.475 ( -4.295 4.049 -4.475) 7.407 4.603 ( 6.514 -4.333 -1.114) 7.903 4.944 ( 1.682 -0.647 9.398) 9.569 5.158 ( -0.025 1.584 -7.164) 7.337 5.353 ( -3.905 -0.949 -9.529) 10.341 5.663 ( 0.107 1.827 -6.046) 6.317 5.804 ( 11.338 -1.069 -11.044) 15.864 6.423 ( 4.526 0.183 0.577) 4.567 6.792 ( 5.171 0.264 -20.692) 21.330 7.128 ( -2.954 0.007 26.704) 26.867 7.588 ( -1.268 -3.202 1.478) 3.748 7.654 ( 4.733 3.116 1.396) 5.836 8.101 ( -6.656 -2.556 -21.183) 22.350 8.537 ( -5.036 5.389 3.952) 8.367 8.643 ( 4.246 -3.127 1.020) 5.371 9.186 ( -1.561 0.103 3.915) 4.216 9.208 ( 0.527 -0.099 3.132) 3.178 10.893 ( -7.113 -0.058 4.372) 8.349 11.050 ( -6.049 0.097 -2.448) 6.526 12.192 ( -16.304 8.094 1.145) 18.238 12.335 ( -4.984 -10.918 0.571) 12.015 13.290 ( -2.268 7.767 8.387) 11.654 13.498 ( -6.608 -2.167 0.649) 6.984 13.622 ( 0.446 -3.612 -0.409) 3.662 13.862 ( 13.938 0.163 -7.619) 15.885 14.047 ( 4.759 0.942 3.793) 6.158 14.200 ( 5.032 -0.424 -2.993) 5.870 ======================= Grid point 403 (150/156) ======================= q-point: (-0.65 -0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 20.321 -2.676 -0.000) 20.496 1.749 ( 11.847 4.601 -0.000) 12.709 1.851 ( -0.513 -22.367 -0.000) 22.373 2.331 ( -9.039 -17.267 -0.000) 19.490 2.655 ( 13.747 -7.130 -0.000) 15.486 2.970 ( 2.400 -16.102 -0.000) 16.280 3.434 ( 2.204 6.492 0.000) 6.856 3.686 ( -6.131 -9.119 -0.000) 10.988 4.237 ( -12.860 7.525 0.000) 14.899 4.502 ( 4.531 -0.026 -0.000) 4.531 4.670 ( -1.114 9.977 0.000) 10.039 4.765 ( 0.936 9.056 0.000) 9.104 5.249 ( -7.783 -10.606 -0.000) 13.155 5.417 ( 6.843 -8.363 -0.000) 10.806 5.838 ( 11.246 -5.676 -0.000) 12.597 5.876 ( 2.018 -12.385 -0.000) 12.548 6.621 ( 3.650 -5.238 -0.000) 6.384 6.742 ( 1.211 -9.925 -0.000) 9.999 7.417 ( -5.350 1.627 0.000) 5.592 7.440 ( 0.112 6.811 0.000) 6.812 7.613 ( 7.113 9.849 0.000) 12.149 7.847 ( -1.073 -5.540 -0.000) 5.643 8.607 ( 7.547 4.208 -0.000) 8.641 8.661 ( -1.027 -6.401 -0.000) 6.483 9.198 ( -1.052 0.722 0.000) 1.276 9.216 ( -2.484 0.186 0.000) 2.491 10.643 ( -3.551 18.807 0.000) 19.140 10.818 ( -10.495 7.524 0.000) 12.913 11.941 ( -14.683 3.327 0.000) 15.056 12.075 ( 9.468 13.960 0.000) 16.868 13.212 ( -16.067 -0.048 0.000) 16.067 13.315 ( 3.944 13.394 0.000) 13.963 13.865 ( 15.839 -1.606 -0.000) 15.920 13.970 ( -8.423 -14.369 -0.000) 16.656 14.239 ( 5.013 -2.871 -0.000) 5.777 14.266 ( -0.442 -5.529 -0.000) 5.547 ======================= Grid point 409 (151/156) ======================= q-point: ( 0.35 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -4.101 -19.492 -0.000) 19.919 1.777 ( 4.513 -4.021 -0.000) 6.044 1.874 ( 11.205 -12.035 -0.000) 16.444 2.200 ( 14.415 9.780 -0.000) 17.420 2.781 ( 9.250 -12.799 -0.000) 15.791 2.918 ( 16.149 0.483 -0.000) 16.156 3.466 ( -5.021 -3.406 0.000) 6.067 3.686 ( 10.389 6.852 -0.000) 12.445 4.180 ( -8.643 9.973 0.000) 13.197 4.506 ( -3.457 -0.353 0.000) 3.475 4.866 ( -1.438 -2.560 -0.000) 2.936 4.908 ( 0.681 -4.723 -0.000) 4.772 5.001 ( -0.397 9.104 0.000) 9.113 5.380 ( 7.962 -2.449 -0.000) 8.330 5.721 ( 4.000 -7.427 -0.000) 8.435 6.010 ( 14.052 -6.038 -0.000) 15.295 6.629 ( 1.002 -4.118 -0.000) 4.238 6.646 ( 6.590 0.235 -0.000) 6.594 7.355 ( -4.698 1.437 0.000) 4.913 7.561 ( 2.526 2.249 -0.000) 3.382 7.691 ( -1.899 -7.630 -0.000) 7.862 7.961 ( 11.010 4.102 -0.000) 11.749 8.371 ( -11.212 -7.031 0.000) 13.234 8.703 ( -1.391 -0.709 0.000) 1.561 9.191 ( -1.065 1.723 0.000) 2.026 9.226 ( 0.576 1.637 0.000) 1.735 10.644 ( -18.218 3.518 0.000) 18.554 10.823 ( -7.207 10.271 0.000) 12.547 11.766 ( -11.910 5.282 0.000) 13.029 12.413 ( 1.599 0.565 -0.000) 1.696 12.949 ( -11.062 6.513 0.000) 12.837 13.541 ( -0.513 5.152 0.000) 5.178 13.612 ( -5.858 -4.928 0.000) 7.655 14.126 ( 8.701 -4.479 -0.000) 9.786 14.191 ( 9.403 -1.776 -0.000) 9.570 14.298 ( 4.249 -0.992 -0.000) 4.363 ======================= Grid point 415 (152/156) ======================= q-point: ( 0.40 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -0.684 4.139 0.000) 4.195 1.647 ( -5.733 -2.122 0.000) 6.113 1.839 ( 22.799 1.303 -0.000) 22.836 2.407 ( 8.147 11.538 0.000) 14.125 2.544 ( 16.177 -11.791 -0.000) 20.018 2.935 ( 16.468 1.309 -0.000) 16.520 3.424 ( -4.905 -0.959 0.000) 4.998 3.753 ( 11.544 -0.210 -0.000) 11.546 4.357 ( -3.565 8.726 0.000) 9.426 4.435 ( -4.199 -7.255 -0.000) 8.382 4.764 ( -5.800 -6.433 -0.000) 8.661 4.795 ( -6.790 -4.393 0.000) 8.087 5.232 ( 4.726 12.034 0.000) 12.928 5.353 ( 11.595 -2.579 -0.000) 11.879 5.682 ( 6.938 3.736 -0.000) 7.880 5.889 ( 12.327 -4.366 -0.000) 13.077 6.586 ( 3.943 -0.167 -0.000) 3.947 6.692 ( 10.377 3.387 -0.000) 10.916 7.418 ( -9.643 3.787 0.000) 10.360 7.539 ( -1.478 -5.028 -0.000) 5.241 7.568 ( -3.047 -3.789 -0.000) 4.862 7.899 ( 6.192 -5.231 -0.000) 8.106 8.436 ( -7.475 9.291 0.000) 11.924 8.682 ( -0.337 -1.253 -0.000) 1.298 9.210 ( -0.061 0.105 0.000) 0.122 9.241 ( 0.326 -0.186 -0.000) 0.375 10.677 ( -18.469 -0.036 0.000) 18.469 10.921 ( -7.112 -0.151 0.000) 7.113 11.901 ( -13.781 8.455 0.000) 16.168 12.240 ( -4.836 -15.164 -0.000) 15.916 13.170 ( -11.899 12.020 0.000) 16.914 13.486 ( -1.348 -10.679 -0.000) 10.763 13.625 ( 1.022 7.088 0.000) 7.161 14.081 ( 12.692 -2.247 -0.000) 12.890 14.163 ( 6.982 0.857 -0.000) 7.034 14.280 ( 5.125 -0.909 -0.000) 5.205 ======================= Grid point 420 (153/156) ======================= q-point: ( 0.40 0.40 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 0.000 0.000 -1.965) 1.965 1.186 ( 0.000 0.000 -1.965) 1.965 1.921 ( -0.000 -0.000 3.540) 3.540 1.921 ( -0.000 -0.000 3.540) 3.540 2.415 ( -0.000 -0.000 3.109) 3.109 2.428 ( -0.000 -0.000 1.448) 1.448 3.594 ( 0.000 0.000 -7.406) 7.406 3.594 ( 0.000 0.000 -7.406) 7.406 4.294 ( -0.000 -0.000 38.461) 38.461 4.523 ( 0.000 0.000 -6.035) 6.035 4.523 ( 0.000 0.000 -6.035) 6.035 4.908 ( -0.000 -0.000 12.489) 12.489 5.168 ( 0.000 0.000 -6.783) 6.783 5.434 ( 0.000 0.000 -15.703) 15.703 5.660 ( 0.000 0.000 -7.316) 7.316 5.660 ( 0.000 0.000 -7.316) 7.316 6.378 ( 0.000 0.000 -0.139) 0.139 6.740 ( 0.000 0.000 -21.481) 21.481 7.162 ( -0.000 -0.000 27.995) 27.995 7.599 ( -0.000 -0.000 1.552) 1.552 7.599 ( -0.000 -0.000 1.552) 1.552 8.180 ( 0.000 0.000 -26.190) 26.190 8.588 ( -0.000 -0.000 4.784) 4.784 8.588 ( -0.000 -0.000 4.784) 4.784 9.203 ( -0.000 -0.000 3.469) 3.469 9.203 ( -0.000 -0.000 3.469) 3.469 10.953 ( -0.000 -0.000 4.770) 4.770 11.111 ( 0.000 0.000 -3.981) 3.981 12.388 ( -0.000 -0.000 0.278) 0.278 12.388 ( -0.000 -0.000 0.278) 0.278 13.282 ( -0.000 -0.000 11.214) 11.214 13.623 ( -0.000 -0.000 0.194) 0.194 13.623 ( -0.000 -0.000 0.194) 0.194 13.679 ( 0.000 0.000 -9.928) 9.928 13.983 ( -0.000 -0.000 5.440) 5.440 14.149 ( 0.000 0.000 -3.314) 3.314 ======================= Grid point 465 (154/156) ======================= q-point: ( 0.40 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.003 -20.960 -0.000) 20.960 1.405 ( 20.504 -1.980 -0.000) 20.599 1.940 ( 11.241 11.484 0.000) 16.070 1.989 ( -10.756 -15.160 -0.000) 18.588 2.610 ( 15.067 0.086 -0.000) 15.068 2.665 ( 3.557 -15.408 -0.000) 15.813 3.535 ( 5.096 3.816 -0.000) 6.366 3.549 ( -3.149 -5.151 -0.000) 6.038 4.354 ( -8.526 4.852 0.000) 9.810 4.506 ( 2.921 -0.022 -0.000) 2.921 4.853 ( 1.107 7.285 0.000) 7.369 4.880 ( -0.335 2.389 0.000) 2.412 5.100 ( -5.827 -3.645 0.000) 6.874 5.251 ( 5.784 -6.340 -0.000) 8.582 5.668 ( 1.385 -8.078 -0.000) 8.195 5.756 ( 11.611 -4.307 -0.000) 12.384 6.535 ( 4.564 -2.888 -0.000) 5.402 6.574 ( 3.618 -7.059 -0.000) 7.933 7.489 ( -7.669 5.388 0.000) 9.372 7.540 ( -0.622 3.711 0.000) 3.763 7.714 ( -1.104 -7.410 -0.000) 7.492 7.766 ( 9.174 4.535 -0.000) 10.234 8.555 ( -7.747 -3.079 0.000) 8.337 8.671 ( 4.279 1.724 -0.000) 4.614 9.220 ( -1.551 0.270 0.000) 1.574 9.222 ( -0.053 1.338 0.000) 1.339 10.918 ( -9.851 3.173 0.000) 10.349 10.920 ( -3.037 9.747 0.000) 10.209 12.048 ( -16.897 7.436 0.000) 18.461 12.341 ( 5.889 10.652 0.000) 12.171 13.215 ( -15.949 2.104 0.000) 16.087 13.541 ( 0.847 8.429 0.000) 8.471 13.722 ( -5.237 -10.098 -0.000) 11.375 13.807 ( 18.924 -4.046 -0.000) 19.352 14.147 ( 0.138 -6.004 -0.000) 6.006 14.194 ( 6.311 -2.102 -0.000) 6.651 ======================= Grid point 471 (155/156) ======================= q-point: ( 0.45 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 1.688 1.144 -0.000) 2.039 1.380 ( 21.275 -0.513 -0.000) 21.281 1.830 ( -10.845 -0.857 0.000) 10.879 2.124 ( 14.423 2.821 -0.000) 14.697 2.442 ( 0.604 -3.138 -0.000) 3.196 2.624 ( 15.167 1.207 -0.000) 15.215 3.493 ( -2.134 -0.554 0.000) 2.205 3.575 ( 6.610 0.408 -0.000) 6.623 4.434 ( -3.729 3.988 0.000) 5.460 4.475 ( -0.382 -3.855 -0.000) 3.874 4.869 ( -4.416 -1.992 0.000) 4.844 4.892 ( -2.778 -0.949 0.000) 2.935 5.144 ( 2.623 5.674 0.000) 6.250 5.182 ( 5.929 -2.755 -0.000) 6.538 5.610 ( 1.900 2.646 0.000) 3.257 5.680 ( 8.667 -2.811 -0.000) 9.111 6.495 ( 4.215 -0.885 -0.000) 4.307 6.522 ( 6.879 1.344 -0.000) 7.009 7.576 ( -2.279 -0.635 0.000) 2.366 7.588 ( -5.343 -2.931 0.000) 6.094 7.615 ( -3.548 5.378 0.000) 6.443 7.762 ( 6.774 -3.535 -0.000) 7.641 8.575 ( -5.785 4.485 0.000) 7.320 8.659 ( 2.140 -3.081 -0.000) 3.751 9.223 ( -1.040 0.006 0.000) 1.040 9.236 ( 0.137 0.002 -0.000) 0.137 10.947 ( -9.411 0.008 0.000) 9.411 11.012 ( -2.691 -0.008 0.000) 2.691 12.202 ( -16.096 8.219 0.000) 18.073 12.341 ( -4.756 -10.797 -0.000) 11.798 13.386 ( -9.811 15.165 0.000) 18.062 13.502 ( -0.025 -12.004 -0.000) 12.004 13.612 ( -0.015 -1.161 -0.000) 1.162 13.782 ( 14.901 -0.210 -0.000) 14.903 14.097 ( 2.119 2.066 -0.000) 2.959 14.160 ( 6.819 -1.391 -0.000) 6.959 ======================= Grid point 527 (156/156) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 5.98e-04 5.98e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -0.000 -0.000 0.000) 0.000 1.146 ( -0.000 -0.000 0.000) 0.000 1.975 ( -0.000 -0.000 0.000) 0.000 1.975 ( -0.000 -0.000 0.000) 0.000 2.441 ( 0.000 0.000 -0.165) 0.165 2.441 ( -0.000 -0.000 0.165) 0.165 3.511 ( -0.000 -0.000 0.000) 0.000 3.511 ( -0.000 -0.000 0.000) 0.000 4.474 ( -0.000 -0.000 0.000) 0.000 4.474 ( -0.000 -0.000 0.000) 0.000 4.910 ( 0.000 0.000 -25.757) 25.757 4.910 ( -0.000 -0.000 25.757) 25.757 5.131 ( 0.000 0.000 -13.574) 13.574 5.131 ( -0.000 -0.000 13.574) 13.574 5.592 ( -0.000 -0.000 0.000) 0.000 5.592 ( -0.000 -0.000 0.000) 0.000 6.452 ( 0.000 0.000 -9.384) 9.384 6.452 ( -0.000 -0.000 9.384) 9.384 7.613 ( -0.000 -0.000 0.000) 0.000 7.613 ( -0.000 -0.000 0.000) 0.000 7.680 ( 0.000 0.000 -28.291) 28.291 7.680 ( -0.000 -0.000 28.291) 28.291 8.633 ( -0.000 -0.000 0.000) 0.000 8.633 ( -0.000 -0.000 0.000) 0.000 9.235 ( -0.000 -0.000 0.000) 0.000 9.235 ( -0.000 -0.000 0.000) 0.000 11.035 ( 0.000 0.000 -4.295) 4.295 11.035 ( -0.000 -0.000 4.295) 4.295 12.391 ( -0.000 -0.000 0.000) 0.000 12.391 ( -0.000 -0.000 0.000) 0.000 13.486 ( 0.000 0.000 -11.031) 11.031 13.486 ( -0.000 -0.000 11.031) 11.031 13.625 ( -0.000 -0.000 0.000) 0.000 13.625 ( -0.000 -0.000 0.000) 0.000 14.076 ( 0.000 0.000 -4.632) 4.632 14.076 ( -0.000 -0.000 4.632) 4.632 =================== 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 3/36000 10.0 138.888 138.888 74.985 -0.000 -0.000 0.000 3/36000 20.0 46.646 46.646 24.076 -0.000 -0.000 0.000 3/36000 30.0 25.369 25.369 12.582 -0.000 -0.000 0.000 3/36000 40.0 17.073 17.073 8.446 -0.000 -0.000 0.000 3/36000 50.0 12.841 12.841 6.423 -0.000 -0.000 0.000 3/36000 60.0 10.290 10.290 5.219 -0.000 -0.000 0.000 3/36000 70.0 8.587 8.587 4.411 -0.000 -0.000 0.000 3/36000 80.0 7.368 7.368 3.827 -0.000 -0.000 0.000 3/36000 90.0 6.455 6.455 3.383 -0.000 -0.000 0.000 3/36000 100.0 5.745 5.745 3.033 -0.000 -0.000 0.000 3/36000 110.0 5.177 5.177 2.751 -0.000 -0.000 0.000 3/36000 120.0 4.714 4.714 2.517 -0.000 -0.000 0.000 3/36000 130.0 4.328 4.328 2.321 -0.000 -0.000 0.000 3/36000 140.0 4.001 4.001 2.153 -0.000 -0.000 0.000 3/36000 150.0 3.722 3.722 2.009 -0.000 -0.000 0.000 3/36000 160.0 3.479 3.479 1.883 -0.000 -0.000 0.000 3/36000 170.0 3.267 3.267 1.772 -0.000 -0.000 0.000 3/36000 180.0 3.080 3.080 1.673 -0.000 -0.000 0.000 3/36000 190.0 2.913 2.913 1.585 -0.000 -0.000 0.000 3/36000 200.0 2.764 2.764 1.506 -0.000 -0.000 0.000 3/36000 210.0 2.630 2.630 1.435 -0.000 -0.000 0.000 3/36000 220.0 2.508 2.508 1.370 -0.000 -0.000 0.000 3/36000 230.0 2.397 2.397 1.311 -0.000 -0.000 0.000 3/36000 240.0 2.296 2.296 1.256 -0.000 -0.000 0.000 3/36000 250.0 2.203 2.203 1.206 -0.000 -0.000 0.000 3/36000 260.0 2.118 2.118 1.160 -0.000 -0.000 0.000 3/36000 270.0 2.038 2.038 1.117 -0.000 -0.000 0.000 3/36000 280.0 1.965 1.965 1.078 -0.000 -0.000 0.000 3/36000 290.0 1.897 1.897 1.041 -0.000 -0.000 0.000 3/36000 300.0 1.833 1.833 1.006 -0.000 -0.000 0.000 3/36000 310.0 1.774 1.774 0.974 -0.000 -0.000 0.000 3/36000 320.0 1.718 1.718 0.944 -0.000 -0.000 0.000 3/36000 330.0 1.666 1.666 0.916 -0.000 -0.000 0.000 3/36000 340.0 1.616 1.616 0.889 -0.000 -0.000 0.000 3/36000 350.0 1.570 1.570 0.864 -0.000 -0.000 0.000 3/36000 360.0 1.526 1.526 0.840 -0.000 -0.000 0.000 3/36000 370.0 1.485 1.485 0.817 -0.000 -0.000 0.000 3/36000 380.0 1.446 1.446 0.796 -0.000 -0.000 0.000 3/36000 390.0 1.409 1.409 0.775 -0.000 -0.000 0.000 3/36000 400.0 1.373 1.373 0.756 -0.000 -0.000 0.000 3/36000 410.0 1.340 1.340 0.738 -0.000 -0.000 0.000 3/36000 420.0 1.308 1.308 0.720 -0.000 -0.000 0.000 3/36000 430.0 1.277 1.277 0.704 -0.000 -0.000 0.000 3/36000 440.0 1.248 1.248 0.688 -0.000 -0.000 0.000 3/36000 450.0 1.221 1.221 0.673 -0.000 -0.000 0.000 3/36000 460.0 1.194 1.194 0.658 -0.000 -0.000 0.000 3/36000 470.0 1.169 1.169 0.644 -0.000 -0.000 0.000 3/36000 480.0 1.144 1.144 0.631 -0.000 -0.000 0.000 3/36000 490.0 1.121 1.121 0.618 -0.000 -0.000 0.000 3/36000 500.0 1.098 1.098 0.606 -0.000 -0.000 0.000 3/36000 510.0 1.077 1.077 0.594 -0.000 -0.000 0.000 3/36000 520.0 1.056 1.056 0.582 -0.000 -0.000 0.000 3/36000 530.0 1.036 1.036 0.571 -0.000 -0.000 0.000 3/36000 540.0 1.017 1.017 0.561 -0.000 -0.000 0.000 3/36000 550.0 0.999 0.999 0.551 -0.000 -0.000 0.000 3/36000 560.0 0.981 0.981 0.541 -0.000 -0.000 0.000 3/36000 570.0 0.963 0.963 0.532 -0.000 -0.000 0.000 3/36000 580.0 0.947 0.947 0.522 -0.000 -0.000 0.000 3/36000 590.0 0.931 0.931 0.514 -0.000 -0.000 0.000 3/36000 600.0 0.915 0.915 0.505 -0.000 -0.000 0.000 3/36000 610.0 0.900 0.900 0.497 -0.000 -0.000 0.000 3/36000 620.0 0.886 0.886 0.489 -0.000 -0.000 0.000 3/36000 630.0 0.872 0.872 0.481 -0.000 -0.000 0.000 3/36000 640.0 0.858 0.858 0.474 -0.000 -0.000 0.000 3/36000 650.0 0.845 0.845 0.466 -0.000 -0.000 0.000 3/36000 660.0 0.832 0.832 0.459 -0.000 -0.000 0.000 3/36000 670.0 0.820 0.820 0.452 -0.000 -0.000 0.000 3/36000 680.0 0.808 0.808 0.446 -0.000 -0.000 0.000 3/36000 690.0 0.796 0.796 0.439 -0.000 -0.000 0.000 3/36000 700.0 0.785 0.785 0.433 -0.000 -0.000 0.000 3/36000 710.0 0.774 0.774 0.427 -0.000 -0.000 0.000 3/36000 720.0 0.763 0.763 0.421 -0.000 -0.000 0.000 3/36000 730.0 0.752 0.752 0.415 -0.000 -0.000 0.000 3/36000 740.0 0.742 0.742 0.410 -0.000 -0.000 0.000 3/36000 750.0 0.732 0.732 0.404 -0.000 -0.000 0.000 3/36000 760.0 0.723 0.723 0.399 -0.000 -0.000 0.000 3/36000 770.0 0.713 0.713 0.394 -0.000 -0.000 0.000 3/36000 780.0 0.704 0.704 0.389 -0.000 -0.000 0.000 3/36000 790.0 0.695 0.695 0.384 -0.000 -0.000 0.000 3/36000 800.0 0.687 0.687 0.379 -0.000 -0.000 0.000 3/36000 810.0 0.678 0.678 0.374 -0.000 -0.000 0.000 3/36000 820.0 0.670 0.670 0.370 -0.000 -0.000 0.000 3/36000 830.0 0.662 0.662 0.365 -0.000 -0.000 0.000 3/36000 840.0 0.654 0.654 0.361 -0.000 -0.000 0.000 3/36000 850.0 0.646 0.646 0.357 -0.000 -0.000 0.000 3/36000 860.0 0.639 0.639 0.353 -0.000 -0.000 0.000 3/36000 870.0 0.631 0.631 0.349 -0.000 -0.000 0.000 3/36000 880.0 0.624 0.624 0.345 -0.000 -0.000 0.000 3/36000 890.0 0.617 0.617 0.341 -0.000 -0.000 0.000 3/36000 900.0 0.610 0.610 0.337 -0.000 -0.000 0.000 3/36000 910.0 0.604 0.604 0.333 -0.000 -0.000 0.000 3/36000 920.0 0.597 0.597 0.330 -0.000 -0.000 0.000 3/36000 930.0 0.591 0.591 0.326 -0.000 -0.000 0.000 3/36000 940.0 0.584 0.584 0.323 -0.000 -0.000 0.000 3/36000 950.0 0.578 0.578 0.319 -0.000 -0.000 0.000 3/36000 960.0 0.572 0.572 0.316 -0.000 -0.000 0.000 3/36000 970.0 0.566 0.566 0.313 -0.000 -0.000 0.000 3/36000 980.0 0.560 0.560 0.310 -0.000 -0.000 0.000 3/36000 990.0 0.555 0.555 0.306 -0.000 -0.000 0.000 3/36000 1000.0 0.549 0.549 0.303 -0.000 -0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m51020.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:42:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|