----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:58:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.363352645000000 -4.704980755000000 0.000000000000000 b 3.363352645000000 4.704980755000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.311331710000000 Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 *2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 3 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 *4 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 *5 O 0.77654749201572 0.77654749201572 0.50000000000000 15.999 *6 O 0.78204806848928 0.21795193151072 0.00000000000000 15.999 7 O 0.22345250798428 0.22345250798428 0.50000000000000 15.999 8 O 0.21795193151072 0.78204806848928 0.00000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.726705290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.409961510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.311331710000000 Atomic positions (fractional): *1 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 1 *2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 2 3 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 3 4 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 1 5 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 2 6 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 3 *7 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 4 8 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 4 *9 O 0.77654749201572 0.00000000000000 0.50000000000000 15.999 > 5 *10 O 0.50000000000000 0.71795193151072 0.00000000000000 15.999 > 6 11 O 0.22345250798428 0.00000000000000 0.50000000000000 15.999 > 7 12 O 0.50000000000000 0.28204806848928 0.00000000000000 15.999 > 8 13 O 0.27654749201572 0.50000000000000 0.50000000000000 15.999 > 5 14 O 0.00000000000000 0.21795193151072 0.00000000000000 15.999 > 6 15 O 0.72345250798428 0.50000000000000 0.50000000000000 15.999 > 7 16 O 0.00000000000000 0.78204806848928 0.00000000000000 15.999 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.453410580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.409961510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.933995130000000 Atomic positions (fractional): *1 Na 0.37500000000000 0.25000000000000 0.16666666666667 22.990 > 1 2 Na 0.87500000000000 0.25000000000000 0.16666666666667 22.990 > 1 3 Na 0.37500000000000 0.25000000000000 0.50000000000000 22.990 > 1 4 Na 0.87500000000000 0.25000000000000 0.50000000000000 22.990 > 1 5 Na 0.37500000000000 0.25000000000000 0.83333333333333 22.990 > 1 6 Na 0.87500000000000 0.25000000000000 0.83333333333333 22.990 > 1 *7 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 2 8 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 2 9 Na 0.25000000000000 0.00000000000000 0.33333333333333 22.990 > 2 10 Na 0.75000000000000 0.00000000000000 0.33333333333333 22.990 > 2 11 Na 0.25000000000000 0.00000000000000 0.66666666666667 22.990 > 2 12 Na 0.75000000000000 0.00000000000000 0.66666666666667 22.990 > 2 13 Na 0.37500000000000 0.75000000000000 0.16666666666667 22.990 > 3 14 Na 0.87500000000000 0.75000000000000 0.16666666666667 22.990 > 3 15 Na 0.37500000000000 0.75000000000000 0.50000000000000 22.990 > 3 16 Na 0.87500000000000 0.75000000000000 0.50000000000000 22.990 > 3 17 Na 0.37500000000000 0.75000000000000 0.83333333333333 22.990 > 3 18 Na 0.87500000000000 0.75000000000000 0.83333333333333 22.990 > 3 19 Na 0.12500000000000 0.75000000000000 0.16666666666667 22.990 > 1 20 Na 0.62500000000000 0.75000000000000 0.16666666666667 22.990 > 1 21 Na 0.12500000000000 0.75000000000000 0.50000000000000 22.990 > 1 22 Na 0.62500000000000 0.75000000000000 0.50000000000000 22.990 > 1 23 Na 0.12500000000000 0.75000000000000 0.83333333333333 22.990 > 1 24 Na 0.62500000000000 0.75000000000000 0.83333333333333 22.990 > 1 25 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 2 26 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 2 27 Na 0.00000000000000 0.50000000000000 0.33333333333333 22.990 > 2 28 Na 0.50000000000000 0.50000000000000 0.33333333333333 22.990 > 2 29 Na 0.00000000000000 0.50000000000000 0.66666666666667 22.990 > 2 30 Na 0.50000000000000 0.50000000000000 0.66666666666667 22.990 > 2 31 Na 0.12500000000000 0.25000000000000 0.16666666666667 22.990 > 3 32 Na 0.62500000000000 0.25000000000000 0.16666666666667 22.990 > 3 33 Na 0.12500000000000 0.25000000000000 0.50000000000000 22.990 > 3 34 Na 0.62500000000000 0.25000000000000 0.50000000000000 22.990 > 3 35 Na 0.12500000000000 0.25000000000000 0.83333333333333 22.990 > 3 36 Na 0.62500000000000 0.25000000000000 0.83333333333333 22.990 > 3 *37 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 4 38 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 4 39 Bi 0.00000000000000 0.00000000000000 0.33333333333333 208.980 > 4 40 Bi 0.50000000000000 0.00000000000000 0.33333333333333 208.980 > 4 41 Bi 0.00000000000000 0.00000000000000 0.66666666666667 208.980 > 4 42 Bi 0.50000000000000 0.00000000000000 0.66666666666667 208.980 > 4 43 Bi 0.25000000000000 0.50000000000000 0.00000000000000 208.980 > 4 44 Bi 0.75000000000000 0.50000000000000 0.00000000000000 208.980 > 4 45 Bi 0.25000000000000 0.50000000000000 0.33333333333333 208.980 > 4 46 Bi 0.75000000000000 0.50000000000000 0.33333333333333 208.980 > 4 47 Bi 0.25000000000000 0.50000000000000 0.66666666666667 208.980 > 4 48 Bi 0.75000000000000 0.50000000000000 0.66666666666667 208.980 > 4 *49 O 0.38827374600786 0.00000000000000 0.16666666666667 15.999 > 5 50 O 0.88827374600786 0.00000000000000 0.16666666666667 15.999 > 5 51 O 0.38827374600786 0.00000000000000 0.50000000000000 15.999 > 5 52 O 0.88827374600786 0.00000000000000 0.50000000000000 15.999 > 5 53 O 0.38827374600786 0.00000000000000 0.83333333333333 15.999 > 5 54 O 0.88827374600786 0.00000000000000 0.83333333333333 15.999 > 5 *55 O 0.25000000000000 0.71795193151072 0.00000000000000 15.999 > 6 56 O 0.75000000000000 0.71795193151072 0.00000000000000 15.999 > 6 57 O 0.25000000000000 0.71795193151072 0.33333333333333 15.999 > 6 58 O 0.75000000000000 0.71795193151072 0.33333333333333 15.999 > 6 59 O 0.25000000000000 0.71795193151072 0.66666666666667 15.999 > 6 60 O 0.75000000000000 0.71795193151072 0.66666666666667 15.999 > 6 61 O 0.11172625399214 0.00000000000000 0.16666666666667 15.999 > 7 62 O 0.61172625399214 0.00000000000000 0.16666666666667 15.999 > 7 63 O 0.11172625399214 0.00000000000000 0.50000000000000 15.999 > 7 64 O 0.61172625399214 0.00000000000000 0.50000000000000 15.999 > 7 65 O 0.11172625399214 0.00000000000000 0.83333333333333 15.999 > 7 66 O 0.61172625399214 0.00000000000000 0.83333333333333 15.999 > 7 67 O 0.25000000000000 0.28204806848928 0.00000000000000 15.999 > 8 68 O 0.75000000000000 0.28204806848928 0.00000000000000 15.999 > 8 69 O 0.25000000000000 0.28204806848928 0.33333333333333 15.999 > 8 70 O 0.75000000000000 0.28204806848928 0.33333333333333 15.999 > 8 71 O 0.25000000000000 0.28204806848928 0.66666666666667 15.999 > 8 72 O 0.75000000000000 0.28204806848928 0.66666666666667 15.999 > 8 73 O 0.13827374600786 0.50000000000000 0.16666666666667 15.999 > 5 74 O 0.63827374600786 0.50000000000000 0.16666666666667 15.999 > 5 75 O 0.13827374600786 0.50000000000000 0.50000000000000 15.999 > 5 76 O 0.63827374600786 0.50000000000000 0.50000000000000 15.999 > 5 77 O 0.13827374600786 0.50000000000000 0.83333333333333 15.999 > 5 78 O 0.63827374600786 0.50000000000000 0.83333333333333 15.999 > 5 79 O 0.00000000000000 0.21795193151072 0.00000000000000 15.999 > 6 80 O 0.50000000000000 0.21795193151072 0.00000000000000 15.999 > 6 81 O 0.00000000000000 0.21795193151072 0.33333333333333 15.999 > 6 82 O 0.50000000000000 0.21795193151072 0.33333333333333 15.999 > 6 83 O 0.00000000000000 0.21795193151072 0.66666666666667 15.999 > 6 84 O 0.50000000000000 0.21795193151072 0.66666666666667 15.999 > 6 85 O 0.36172625399214 0.50000000000000 0.16666666666667 15.999 > 7 86 O 0.86172625399214 0.50000000000000 0.16666666666667 15.999 > 7 87 O 0.36172625399214 0.50000000000000 0.50000000000000 15.999 > 7 88 O 0.86172625399214 0.50000000000000 0.50000000000000 15.999 > 7 89 O 0.36172625399214 0.50000000000000 0.83333333333333 15.999 > 7 90 O 0.86172625399214 0.50000000000000 0.83333333333333 15.999 > 7 91 O 0.00000000000000 0.78204806848928 0.00000000000000 15.999 > 8 92 O 0.50000000000000 0.78204806848928 0.00000000000000 15.999 > 8 93 O 0.00000000000000 0.78204806848928 0.33333333333333 15.999 > 8 94 O 0.50000000000000 0.78204806848928 0.33333333333333 15.999 > 8 95 O 0.00000000000000 0.78204806848928 0.66666666666667 15.999 > 8 96 O 0.50000000000000 0.78204806848928 0.66666666666667 15.999 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5957115 0.0000000 0.0000000 0.0000000 4.0374728 0.0000000 0.0000000 0.0000000 4.9786119 -------------------------- Born effective charges -------------------------- 1 Na 0.9732233 -0.3372304 0.0000000 -0.5614848 0.9802345 0.0000000 0.0000000 0.0000000 0.9479782 2 Na 1.5021875 0.0000000 0.0000000 0.0000000 1.4718198 0.0000000 0.0000000 0.0000000 1.0341286 3 Na 0.9732233 0.3372304 0.0000000 0.5614848 0.9802345 0.0000000 0.0000000 0.0000000 0.9479782 4 Bi 2.4109963 0.0000000 0.0000000 0.0000000 2.8913906 0.0000000 0.0000000 0.0000000 5.8488666 5 O -1.8212064 0.0000000 0.0000000 0.0000000 -1.1776753 0.0000000 0.0000000 0.0000000 -2.9494726 6 O -1.1086088 0.0000000 0.0000000 0.0000000 -1.9841644 0.0000000 0.0000000 0.0000000 -1.4400032 7 O -1.8212064 0.0000000 0.0000000 0.0000000 -1.1776753 0.0000000 0.0000000 0.0000000 -2.9494726 8 O -1.1086088 0.0000000 0.0000000 0.0000000 -1.9841644 0.0000000 0.0000000 0.0000000 -1.4400032 ---------------------------------------------------------------------------- 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: 4326/4326 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 556 Number of blocks in projector: 564 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (556, 539), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 52), data: True |-- (66, 66), data: True |-- (88, 86), data: True |-- (116, 111), data: True |-- (116, 111), data: True |-- (116, 111), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.386 Solver_block: 160 / 160 - Time: 0.267 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.666 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 4326/4326 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 556 Number of blocks in projector: 564 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (556, 539), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 52), data: True |-- (66, 66), data: True |-- (88, 86), data: True |-- (116, 111), data: True |-- (116, 111), data: True |-- (116, 111), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:58:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:58:26]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.363352645000000 -4.704980755000000 0.000000000000000 b 3.363352645000000 4.704980755000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.311331710000000 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 3 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 4 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 5 O 0.77654749201572 0.77654749201572 0.50000000000000 15.999 6 O 0.78204806848928 0.21795193151072 0.00000000000000 15.999 7 O 0.22345250798428 0.22345250798428 0.50000000000000 15.999 8 O 0.21795193151072 0.78204806848928 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.453410580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.409961510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.933995130000000 Atomic positions (fractional): 1 Na 0.37500000000000 0.25000000000000 0.16666666666667 22.990 > 1 2 Na 0.87500000000000 0.25000000000000 0.16666666666667 22.990 > 1 3 Na 0.37500000000000 0.25000000000000 0.50000000000000 22.990 > 1 4 Na 0.87500000000000 0.25000000000000 0.50000000000000 22.990 > 1 5 Na 0.37500000000000 0.25000000000000 0.83333333333333 22.990 > 1 6 Na 0.87500000000000 0.25000000000000 0.83333333333333 22.990 > 1 7 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 7 8 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 7 9 Na 0.25000000000000 0.00000000000000 0.33333333333333 22.990 > 7 10 Na 0.75000000000000 0.00000000000000 0.33333333333333 22.990 > 7 11 Na 0.25000000000000 0.00000000000000 0.66666666666667 22.990 > 7 12 Na 0.75000000000000 0.00000000000000 0.66666666666667 22.990 > 7 13 Na 0.37500000000000 0.75000000000000 0.16666666666667 22.990 > 13 14 Na 0.87500000000000 0.75000000000000 0.16666666666667 22.990 > 13 15 Na 0.37500000000000 0.75000000000000 0.50000000000000 22.990 > 13 16 Na 0.87500000000000 0.75000000000000 0.50000000000000 22.990 > 13 17 Na 0.37500000000000 0.75000000000000 0.83333333333333 22.990 > 13 18 Na 0.87500000000000 0.75000000000000 0.83333333333333 22.990 > 13 19 Na 0.12500000000000 0.75000000000000 0.16666666666667 22.990 > 1 20 Na 0.62500000000000 0.75000000000000 0.16666666666667 22.990 > 1 21 Na 0.12500000000000 0.75000000000000 0.50000000000000 22.990 > 1 22 Na 0.62500000000000 0.75000000000000 0.50000000000000 22.990 > 1 23 Na 0.12500000000000 0.75000000000000 0.83333333333333 22.990 > 1 24 Na 0.62500000000000 0.75000000000000 0.83333333333333 22.990 > 1 25 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 7 26 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 7 27 Na 0.00000000000000 0.50000000000000 0.33333333333333 22.990 > 7 28 Na 0.50000000000000 0.50000000000000 0.33333333333333 22.990 > 7 29 Na 0.00000000000000 0.50000000000000 0.66666666666667 22.990 > 7 30 Na 0.50000000000000 0.50000000000000 0.66666666666667 22.990 > 7 31 Na 0.12500000000000 0.25000000000000 0.16666666666667 22.990 > 13 32 Na 0.62500000000000 0.25000000000000 0.16666666666667 22.990 > 13 33 Na 0.12500000000000 0.25000000000000 0.50000000000000 22.990 > 13 34 Na 0.62500000000000 0.25000000000000 0.50000000000000 22.990 > 13 35 Na 0.12500000000000 0.25000000000000 0.83333333333333 22.990 > 13 36 Na 0.62500000000000 0.25000000000000 0.83333333333333 22.990 > 13 37 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 37 38 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 37 39 Bi 0.00000000000000 0.00000000000000 0.33333333333333 208.980 > 37 40 Bi 0.50000000000000 0.00000000000000 0.33333333333333 208.980 > 37 41 Bi 0.00000000000000 0.00000000000000 0.66666666666667 208.980 > 37 42 Bi 0.50000000000000 0.00000000000000 0.66666666666667 208.980 > 37 43 Bi 0.25000000000000 0.50000000000000 0.00000000000000 208.980 > 37 44 Bi 0.75000000000000 0.50000000000000 0.00000000000000 208.980 > 37 45 Bi 0.25000000000000 0.50000000000000 0.33333333333333 208.980 > 37 46 Bi 0.75000000000000 0.50000000000000 0.33333333333333 208.980 > 37 47 Bi 0.25000000000000 0.50000000000000 0.66666666666667 208.980 > 37 48 Bi 0.75000000000000 0.50000000000000 0.66666666666667 208.980 > 37 49 O 0.38827374600786 0.00000000000000 0.16666666666667 15.999 > 49 50 O 0.88827374600786 0.00000000000000 0.16666666666667 15.999 > 49 51 O 0.38827374600786 0.00000000000000 0.50000000000000 15.999 > 49 52 O 0.88827374600786 0.00000000000000 0.50000000000000 15.999 > 49 53 O 0.38827374600786 0.00000000000000 0.83333333333333 15.999 > 49 54 O 0.88827374600786 0.00000000000000 0.83333333333333 15.999 > 49 55 O 0.25000000000000 0.71795193151072 0.00000000000000 15.999 > 55 56 O 0.75000000000000 0.71795193151072 0.00000000000000 15.999 > 55 57 O 0.25000000000000 0.71795193151072 0.33333333333333 15.999 > 55 58 O 0.75000000000000 0.71795193151072 0.33333333333333 15.999 > 55 59 O 0.25000000000000 0.71795193151072 0.66666666666667 15.999 > 55 60 O 0.75000000000000 0.71795193151072 0.66666666666667 15.999 > 55 61 O 0.11172625399214 0.00000000000000 0.16666666666667 15.999 > 61 62 O 0.61172625399214 0.00000000000000 0.16666666666667 15.999 > 61 63 O 0.11172625399214 0.00000000000000 0.50000000000000 15.999 > 61 64 O 0.61172625399214 0.00000000000000 0.50000000000000 15.999 > 61 65 O 0.11172625399214 0.00000000000000 0.83333333333333 15.999 > 61 66 O 0.61172625399214 0.00000000000000 0.83333333333333 15.999 > 61 67 O 0.25000000000000 0.28204806848928 0.00000000000000 15.999 > 67 68 O 0.75000000000000 0.28204806848928 0.00000000000000 15.999 > 67 69 O 0.25000000000000 0.28204806848928 0.33333333333333 15.999 > 67 70 O 0.75000000000000 0.28204806848928 0.33333333333333 15.999 > 67 71 O 0.25000000000000 0.28204806848928 0.66666666666667 15.999 > 67 72 O 0.75000000000000 0.28204806848928 0.66666666666667 15.999 > 67 73 O 0.13827374600786 0.50000000000000 0.16666666666667 15.999 > 49 74 O 0.63827374600786 0.50000000000000 0.16666666666667 15.999 > 49 75 O 0.13827374600786 0.50000000000000 0.50000000000000 15.999 > 49 76 O 0.63827374600786 0.50000000000000 0.50000000000000 15.999 > 49 77 O 0.13827374600786 0.50000000000000 0.83333333333333 15.999 > 49 78 O 0.63827374600786 0.50000000000000 0.83333333333333 15.999 > 49 79 O 0.00000000000000 0.21795193151072 0.00000000000000 15.999 > 55 80 O 0.50000000000000 0.21795193151072 0.00000000000000 15.999 > 55 81 O 0.00000000000000 0.21795193151072 0.33333333333333 15.999 > 55 82 O 0.50000000000000 0.21795193151072 0.33333333333333 15.999 > 55 83 O 0.00000000000000 0.21795193151072 0.66666666666667 15.999 > 55 84 O 0.50000000000000 0.21795193151072 0.66666666666667 15.999 > 55 85 O 0.36172625399214 0.50000000000000 0.16666666666667 15.999 > 61 86 O 0.86172625399214 0.50000000000000 0.16666666666667 15.999 > 61 87 O 0.36172625399214 0.50000000000000 0.50000000000000 15.999 > 61 88 O 0.86172625399214 0.50000000000000 0.50000000000000 15.999 > 61 89 O 0.36172625399214 0.50000000000000 0.83333333333333 15.999 > 61 90 O 0.86172625399214 0.50000000000000 0.83333333333333 15.999 > 61 91 O 0.00000000000000 0.78204806848928 0.00000000000000 15.999 > 67 92 O 0.50000000000000 0.78204806848928 0.00000000000000 15.999 > 67 93 O 0.00000000000000 0.78204806848928 0.33333333333333 15.999 > 67 94 O 0.50000000000000 0.78204806848928 0.33333333333333 15.999 > 67 95 O 0.00000000000000 0.78204806848928 0.66666666666667 15.999 > 67 96 O 0.50000000000000 0.78204806848928 0.66666666666667 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5957115 0.0000000 0.0000000 0.0000000 4.0374728 0.0000000 0.0000000 0.0000000 4.9786119 -------------------------- Born effective charges -------------------------- 1 Na 0.9732233 -0.3372304 0.0000000 -0.5614848 0.9802345 0.0000000 0.0000000 0.0000000 0.9479782 2 Na 1.5021875 0.0000000 0.0000000 0.0000000 1.4718198 0.0000000 0.0000000 0.0000000 1.0341286 3 Na 0.9732233 0.3372304 0.0000000 0.5614848 0.9802345 0.0000000 0.0000000 0.0000000 0.9479782 4 Bi 2.4109963 0.0000000 0.0000000 0.0000000 2.8913906 0.0000000 0.0000000 0.0000000 5.8488666 5 O -1.8212064 0.0000000 0.0000000 0.0000000 -1.1776753 0.0000000 0.0000000 0.0000000 -2.9494726 6 O -1.1086088 0.0000000 0.0000000 0.0000000 -1.9841644 0.0000000 0.0000000 0.0000000 -1.4400032 7 O -1.8212064 0.0000000 0.0000000 0.0000000 -1.1776753 0.0000000 0.0000000 0.0000000 -2.9494726 8 O -1.1086088 0.0000000 0.0000000 0.0000000 -1.9841644 0.0000000 0.0000000 0.0000000 -1.4400032 ---------------------------------------------------------------------------- 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[ 7, 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[ 37, 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:58:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:58:34]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.363352645000000 -4.704980755000000 0.000000000000000 b 3.363352645000000 4.704980755000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.311331710000000 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 3 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 4 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 5 O 0.77654749201572 0.77654749201572 0.50000000000000 15.999 6 O 0.78204806848928 0.21795193151072 0.00000000000000 15.999 7 O 0.22345250798428 0.22345250798428 0.50000000000000 15.999 8 O 0.21795193151072 0.78204806848928 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.453410580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.409961510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.933995130000000 Atomic positions (fractional): 1 Na 0.37500000000000 0.25000000000000 0.16666666666667 22.990 > 1 2 Na 0.87500000000000 0.25000000000000 0.16666666666667 22.990 > 1 3 Na 0.37500000000000 0.25000000000000 0.50000000000000 22.990 > 1 4 Na 0.87500000000000 0.25000000000000 0.50000000000000 22.990 > 1 5 Na 0.37500000000000 0.25000000000000 0.83333333333333 22.990 > 1 6 Na 0.87500000000000 0.25000000000000 0.83333333333333 22.990 > 1 7 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 7 8 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 7 9 Na 0.25000000000000 0.00000000000000 0.33333333333333 22.990 > 7 10 Na 0.75000000000000 0.00000000000000 0.33333333333333 22.990 > 7 11 Na 0.25000000000000 0.00000000000000 0.66666666666667 22.990 > 7 12 Na 0.75000000000000 0.00000000000000 0.66666666666667 22.990 > 7 13 Na 0.37500000000000 0.75000000000000 0.16666666666667 22.990 > 13 14 Na 0.87500000000000 0.75000000000000 0.16666666666667 22.990 > 13 15 Na 0.37500000000000 0.75000000000000 0.50000000000000 22.990 > 13 16 Na 0.87500000000000 0.75000000000000 0.50000000000000 22.990 > 13 17 Na 0.37500000000000 0.75000000000000 0.83333333333333 22.990 > 13 18 Na 0.87500000000000 0.75000000000000 0.83333333333333 22.990 > 13 19 Na 0.12500000000000 0.75000000000000 0.16666666666667 22.990 > 1 20 Na 0.62500000000000 0.75000000000000 0.16666666666667 22.990 > 1 21 Na 0.12500000000000 0.75000000000000 0.50000000000000 22.990 > 1 22 Na 0.62500000000000 0.75000000000000 0.50000000000000 22.990 > 1 23 Na 0.12500000000000 0.75000000000000 0.83333333333333 22.990 > 1 24 Na 0.62500000000000 0.75000000000000 0.83333333333333 22.990 > 1 25 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 7 26 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 7 27 Na 0.00000000000000 0.50000000000000 0.33333333333333 22.990 > 7 28 Na 0.50000000000000 0.50000000000000 0.33333333333333 22.990 > 7 29 Na 0.00000000000000 0.50000000000000 0.66666666666667 22.990 > 7 30 Na 0.50000000000000 0.50000000000000 0.66666666666667 22.990 > 7 31 Na 0.12500000000000 0.25000000000000 0.16666666666667 22.990 > 13 32 Na 0.62500000000000 0.25000000000000 0.16666666666667 22.990 > 13 33 Na 0.12500000000000 0.25000000000000 0.50000000000000 22.990 > 13 34 Na 0.62500000000000 0.25000000000000 0.50000000000000 22.990 > 13 35 Na 0.12500000000000 0.25000000000000 0.83333333333333 22.990 > 13 36 Na 0.62500000000000 0.25000000000000 0.83333333333333 22.990 > 13 37 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 37 38 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 37 39 Bi 0.00000000000000 0.00000000000000 0.33333333333333 208.980 > 37 40 Bi 0.50000000000000 0.00000000000000 0.33333333333333 208.980 > 37 41 Bi 0.00000000000000 0.00000000000000 0.66666666666667 208.980 > 37 42 Bi 0.50000000000000 0.00000000000000 0.66666666666667 208.980 > 37 43 Bi 0.25000000000000 0.50000000000000 0.00000000000000 208.980 > 37 44 Bi 0.75000000000000 0.50000000000000 0.00000000000000 208.980 > 37 45 Bi 0.25000000000000 0.50000000000000 0.33333333333333 208.980 > 37 46 Bi 0.75000000000000 0.50000000000000 0.33333333333333 208.980 > 37 47 Bi 0.25000000000000 0.50000000000000 0.66666666666667 208.980 > 37 48 Bi 0.75000000000000 0.50000000000000 0.66666666666667 208.980 > 37 49 O 0.38827374600786 0.00000000000000 0.16666666666667 15.999 > 49 50 O 0.88827374600786 0.00000000000000 0.16666666666667 15.999 > 49 51 O 0.38827374600786 0.00000000000000 0.50000000000000 15.999 > 49 52 O 0.88827374600786 0.00000000000000 0.50000000000000 15.999 > 49 53 O 0.38827374600786 0.00000000000000 0.83333333333333 15.999 > 49 54 O 0.88827374600786 0.00000000000000 0.83333333333333 15.999 > 49 55 O 0.25000000000000 0.71795193151072 0.00000000000000 15.999 > 55 56 O 0.75000000000000 0.71795193151072 0.00000000000000 15.999 > 55 57 O 0.25000000000000 0.71795193151072 0.33333333333333 15.999 > 55 58 O 0.75000000000000 0.71795193151072 0.33333333333333 15.999 > 55 59 O 0.25000000000000 0.71795193151072 0.66666666666667 15.999 > 55 60 O 0.75000000000000 0.71795193151072 0.66666666666667 15.999 > 55 61 O 0.11172625399214 0.00000000000000 0.16666666666667 15.999 > 61 62 O 0.61172625399214 0.00000000000000 0.16666666666667 15.999 > 61 63 O 0.11172625399214 0.00000000000000 0.50000000000000 15.999 > 61 64 O 0.61172625399214 0.00000000000000 0.50000000000000 15.999 > 61 65 O 0.11172625399214 0.00000000000000 0.83333333333333 15.999 > 61 66 O 0.61172625399214 0.00000000000000 0.83333333333333 15.999 > 61 67 O 0.25000000000000 0.28204806848928 0.00000000000000 15.999 > 67 68 O 0.75000000000000 0.28204806848928 0.00000000000000 15.999 > 67 69 O 0.25000000000000 0.28204806848928 0.33333333333333 15.999 > 67 70 O 0.75000000000000 0.28204806848928 0.33333333333333 15.999 > 67 71 O 0.25000000000000 0.28204806848928 0.66666666666667 15.999 > 67 72 O 0.75000000000000 0.28204806848928 0.66666666666667 15.999 > 67 73 O 0.13827374600786 0.50000000000000 0.16666666666667 15.999 > 49 74 O 0.63827374600786 0.50000000000000 0.16666666666667 15.999 > 49 75 O 0.13827374600786 0.50000000000000 0.50000000000000 15.999 > 49 76 O 0.63827374600786 0.50000000000000 0.50000000000000 15.999 > 49 77 O 0.13827374600786 0.50000000000000 0.83333333333333 15.999 > 49 78 O 0.63827374600786 0.50000000000000 0.83333333333333 15.999 > 49 79 O 0.00000000000000 0.21795193151072 0.00000000000000 15.999 > 55 80 O 0.50000000000000 0.21795193151072 0.00000000000000 15.999 > 55 81 O 0.00000000000000 0.21795193151072 0.33333333333333 15.999 > 55 82 O 0.50000000000000 0.21795193151072 0.33333333333333 15.999 > 55 83 O 0.00000000000000 0.21795193151072 0.66666666666667 15.999 > 55 84 O 0.50000000000000 0.21795193151072 0.66666666666667 15.999 > 55 85 O 0.36172625399214 0.50000000000000 0.16666666666667 15.999 > 61 86 O 0.86172625399214 0.50000000000000 0.16666666666667 15.999 > 61 87 O 0.36172625399214 0.50000000000000 0.50000000000000 15.999 > 61 88 O 0.86172625399214 0.50000000000000 0.50000000000000 15.999 > 61 89 O 0.36172625399214 0.50000000000000 0.83333333333333 15.999 > 61 90 O 0.86172625399214 0.50000000000000 0.83333333333333 15.999 > 61 91 O 0.00000000000000 0.78204806848928 0.00000000000000 15.999 > 67 92 O 0.50000000000000 0.78204806848928 0.00000000000000 15.999 > 67 93 O 0.00000000000000 0.78204806848928 0.33333333333333 15.999 > 67 94 O 0.50000000000000 0.78204806848928 0.33333333333333 15.999 > 67 95 O 0.00000000000000 0.78204806848928 0.66666666666667 15.999 > 67 96 O 0.50000000000000 0.78204806848928 0.66666666666667 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5957115 0.0000000 0.0000000 0.0000000 4.0374728 0.0000000 0.0000000 0.0000000 4.9786119 -------------------------- Born effective charges -------------------------- 1 Na 0.9732233 -0.3372304 0.0000000 -0.5614848 0.9802345 0.0000000 0.0000000 0.0000000 0.9479782 2 Na 1.5021875 0.0000000 0.0000000 0.0000000 1.4718198 0.0000000 0.0000000 0.0000000 1.0341286 3 Na 0.9732233 0.3372304 0.0000000 0.5614848 0.9802345 0.0000000 0.0000000 0.0000000 0.9479782 4 Bi 2.4109963 0.0000000 0.0000000 0.0000000 2.8913906 0.0000000 0.0000000 0.0000000 5.8488666 5 O -1.8212064 0.0000000 0.0000000 0.0000000 -1.1776753 0.0000000 0.0000000 0.0000000 -2.9494726 6 O -1.1086088 0.0000000 0.0000000 0.0000000 -1.9841644 0.0000000 0.0000000 0.0000000 -1.4400032 7 O -1.8212064 0.0000000 0.0000000 0.0000000 -1.1776753 0.0000000 0.0000000 0.0000000 -2.9494726 8 O -1.1086088 0.0000000 0.0000000 0.0000000 -1.9841644 0.0000000 0.0000000 0.0000000 -1.4400032 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) 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 ... [ 9 9 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.88, Number of G-points: 297, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/200) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 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 1.483 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 6.842 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.565 ( 0.000 0.000 0.000) 0.000 9.389 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 0.000) 0.000 11.025 ( 0.000 0.000 0.000) 0.000 11.766 ( 0.000 0.000 0.000) 0.000 12.107 ( 0.000 0.000 0.000) 0.000 12.967 ( 0.000 0.000 0.000) 0.000 16.400 ( 0.000 0.000 0.000) 0.000 16.574 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/200) ======================= q-point: ( 0.11 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 23.542 -8.932 0.000) 25.179 0.547 ( 19.319 -17.697 0.000) 26.199 0.941 ( 36.887 -26.409 0.000) 45.367 1.993 ( -36.223 -51.865 0.000) 63.262 3.266 ( 0.520 -0.202 0.000) 0.558 4.438 ( 2.355 0.261 0.000) 2.370 4.539 ( 9.943 6.097 0.000) 11.664 5.731 ( -7.047 0.172 0.000) 7.049 5.892 ( 13.183 17.493 0.000) 21.904 6.806 ( -16.004 -4.712 0.000) 16.683 7.689 ( 4.410 -5.606 0.000) 7.133 7.890 ( 1.384 12.443 0.000) 12.519 8.202 ( 1.825 -12.538 0.000) 12.670 8.395 ( 8.277 15.275 0.000) 17.373 8.721 ( -10.665 -2.063 0.000) 10.863 9.677 ( 15.474 22.374 0.000) 27.204 9.919 ( 0.986 -0.110 0.000) 0.993 10.116 ( -1.185 0.723 0.000) 1.388 11.258 ( -16.324 -23.418 0.000) 28.546 11.795 ( 0.756 -3.247 0.000) 3.333 12.985 ( -2.816 -7.146 0.000) 7.681 13.650 ( 58.782 83.647 0.000) 102.236 16.434 ( 2.833 -1.469 0.000) 3.191 17.374 ( -42.733 -63.133 0.000) 76.236 ======================= Grid point 2 (3/200) ======================= q-point: ( 0.22 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 21.520 -6.575 0.000) 22.502 1.037 ( 16.088 -14.820 0.000) 21.873 1.818 ( 32.960 -23.146 0.000) 40.275 2.000 ( -18.027 -24.572 0.000) 30.475 3.281 ( 0.910 -0.351 0.000) 0.975 4.496 ( 5.119 0.261 0.000) 5.126 4.677 ( 17.221 8.558 0.000) 19.230 5.564 ( -12.205 0.679 0.000) 12.224 5.912 ( 6.521 6.652 0.000) 9.315 6.530 ( -20.262 0.045 0.000) 20.262 7.785 ( 1.842 9.844 0.000) 10.015 7.852 ( 5.609 -6.879 0.000) 8.876 8.329 ( 1.694 9.992 0.000) 10.135 8.379 ( 2.998 -10.263 0.000) 10.692 8.509 ( -14.307 1.352 0.000) 14.370 9.681 ( 9.534 11.727 0.000) 15.113 9.942 ( 1.520 -0.114 0.000) 1.524 10.077 ( -1.993 1.179 0.000) 2.316 11.275 ( -5.004 -9.395 0.000) 10.644 11.844 ( -0.119 -3.206 0.000) 3.208 13.047 ( -4.904 -14.258 0.000) 15.078 13.622 ( 29.727 45.091 0.000) 54.008 16.517 ( 4.207 -2.202 0.000) 4.748 17.426 ( -17.420 -29.559 0.000) 34.310 ======================= Grid point 3 (4/200) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 18.765 -2.866 0.000) 18.983 1.409 ( 10.717 -9.972 0.000) 14.639 1.964 ( -14.088 -13.948 0.000) 19.825 2.540 ( 24.645 -16.466 0.000) 29.639 3.302 ( 0.942 -0.369 0.000) 1.011 4.606 ( 8.298 -0.167 0.000) 8.299 4.910 ( 22.090 6.823 0.000) 23.120 5.327 ( -14.459 1.258 0.000) 14.514 5.944 ( 4.169 3.881 0.000) 5.696 6.151 ( -24.918 -0.262 0.000) 24.919 7.718 ( 1.416 6.196 0.000) 6.356 8.011 ( 5.545 -3.273 0.000) 6.439 8.187 ( -3.734 11.861 0.000) 12.435 8.301 ( -10.471 -4.505 0.000) 11.399 8.532 ( 2.835 -6.850 0.000) 7.414 9.708 ( 6.342 6.543 0.000) 9.112 9.967 ( 1.403 0.096 0.000) 1.406 10.029 ( -2.030 1.003 0.000) 2.264 11.316 ( -0.328 -4.793 0.000) 4.804 11.855 ( -1.709 -1.208 0.000) 2.093 13.157 ( -6.376 -19.751 0.000) 20.755 13.565 ( 19.085 32.937 0.000) 38.067 16.609 ( 3.567 -1.887 0.000) 4.035 17.487 ( -7.800 -15.535 0.000) 17.383 ======================= Grid point 4 (5/200) ======================= q-point: ( 0.44 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 3.757 -3.529 0.000) 5.155 1.660 ( 16.021 1.722 0.000) 16.113 1.856 ( -14.118 -7.047 0.000) 15.779 2.968 ( 9.454 -6.166 0.000) 11.287 3.317 ( 0.417 -0.167 0.000) 0.449 4.765 ( 9.131 -0.665 0.000) 9.155 5.084 ( -11.550 1.162 0.000) 11.608 5.247 ( 24.824 2.342 0.000) 24.934 5.697 ( -25.048 1.810 0.000) 25.114 5.986 ( 0.311 -0.452 0.000) 0.549 7.685 ( 0.516 2.101 0.000) 2.163 8.007 ( -0.978 6.658 0.000) 6.729 8.107 ( -0.150 -2.951 0.000) 2.955 8.238 ( -2.643 -1.929 0.000) 3.272 8.622 ( 1.181 -2.441 0.000) 2.712 9.728 ( 2.240 2.217 0.000) 3.152 9.980 ( 0.462 0.556 0.000) 0.723 9.997 ( -0.777 -0.068 0.000) 0.780 11.363 ( 0.701 -1.716 0.000) 1.854 11.831 ( -1.281 -0.027 0.000) 1.281 13.283 ( -6.092 -17.250 0.000) 18.294 13.482 ( 10.174 20.872 0.000) 23.219 16.668 ( 1.375 -0.732 0.000) 1.558 17.527 ( -2.250 -4.989 0.000) 5.473 ======================= Grid point 10 (6/200) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 23.289 -0.000 0.000) 23.289 0.963 ( 28.067 -0.000 0.000) 28.067 1.448 ( 40.377 -0.000 0.000) 40.377 1.541 ( 3.794 -0.000 0.000) 3.794 3.278 ( 1.040 -0.000 0.000) 1.040 4.499 ( 4.909 -0.000 0.000) 4.909 4.786 ( 15.119 -0.000 0.000) 15.119 5.572 ( -11.990 0.000 0.000) 11.990 6.037 ( -0.290 0.000 0.000) 0.290 6.510 ( -18.770 0.000 0.000) 18.770 7.729 ( 5.618 -0.000 0.000) 5.618 7.954 ( -4.450 0.000 0.000) 4.450 8.205 ( 9.174 -0.000 0.000) 9.174 8.378 ( -10.537 0.000 0.000) 10.537 8.611 ( -6.239 0.000 0.000) 6.239 9.940 ( 1.595 -0.000 0.000) 1.595 9.996 ( 6.078 -0.000 0.000) 6.078 10.091 ( -2.216 0.000 0.000) 2.216 11.026 ( 0.416 -0.000 0.000) 0.416 11.808 ( 1.886 -0.000 0.000) 1.886 12.870 ( -5.703 0.000 0.000) 5.703 14.608 ( 1.220 -0.000 0.000) 1.220 16.530 ( 7.474 -0.000 0.000) 7.474 16.631 ( 3.406 -0.000 0.000) 3.406 ======================= Grid point 11 (7/200) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 18.502 -4.803 0.000) 19.115 1.395 ( 24.745 1.080 0.000) 24.769 1.663 ( 3.197 -6.013 0.000) 6.810 2.151 ( 31.426 -13.377 0.000) 34.155 3.299 ( 1.371 -0.010 0.000) 1.371 4.604 ( 7.945 0.007 0.000) 7.945 5.028 ( 16.144 2.770 0.000) 16.380 5.347 ( -14.536 0.409 0.000) 14.542 6.026 ( 1.751 2.911 0.000) 3.397 6.146 ( -25.297 -0.721 0.000) 25.308 7.843 ( -4.785 3.557 0.000) 5.962 7.857 ( 5.311 -5.288 0.000) 7.495 8.194 ( -13.477 -2.791 0.000) 13.763 8.395 ( 9.188 -3.786 0.000) 9.937 8.462 ( -5.615 6.904 0.000) 8.899 9.968 ( 1.582 -0.013 0.000) 1.582 10.014 ( 8.649 14.138 0.000) 16.574 10.047 ( -2.743 0.414 0.000) 2.774 11.111 ( 0.225 -10.065 0.000) 10.067 11.836 ( 0.810 -0.179 0.000) 0.829 12.806 ( -7.670 -8.213 0.000) 11.237 14.416 ( 7.326 31.125 0.000) 31.975 16.603 ( 6.619 2.614 0.000) 7.116 16.934 ( 1.756 -26.380 0.000) 26.438 ======================= Grid point 12 (8/200) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 11.922 -3.247 0.000) 12.356 1.692 ( 2.546 -5.035 0.000) 5.642 1.800 ( 19.990 7.757 0.000) 21.443 2.727 ( 17.966 -12.494 0.000) 21.883 3.320 ( 1.240 0.262 0.000) 1.268 4.760 ( 10.403 0.085 0.000) 10.403 5.100 ( -13.911 0.270 0.000) 13.914 5.270 ( 15.709 -0.214 0.000) 15.711 5.679 ( -30.714 -1.376 0.000) 30.745 6.055 ( 4.936 4.010 0.000) 6.359 7.730 ( -5.217 1.518 0.000) 5.433 7.958 ( -8.651 -4.008 0.000) 9.535 8.053 ( -1.718 -6.938 0.000) 7.148 8.310 ( -1.297 7.867 0.000) 7.973 8.571 ( 7.653 -1.728 0.000) 7.845 9.972 ( 7.487 15.558 0.000) 17.266 9.989 ( 0.950 0.147 0.000) 0.962 9.998 ( -2.380 0.160 0.000) 2.385 11.236 ( 0.900 -8.822 0.000) 8.868 11.832 ( -0.748 0.512 0.000) 0.907 12.812 ( -8.900 -15.570 0.000) 17.934 14.183 ( 7.875 29.922 0.000) 30.941 16.675 ( 4.715 1.787 0.000) 5.042 17.237 ( 3.036 -18.174 0.000) 18.426 ======================= Grid point 13 (9/200) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 4.818 1.727 0.000) 5.118 1.680 ( -3.184 2.456 0.000) 4.021 2.055 ( 21.012 9.858 0.000) 23.209 2.986 ( 0.235 -4.352 0.000) 4.359 3.329 ( 0.566 0.772 0.000) 0.958 4.796 ( -8.929 1.899 0.000) 9.128 5.043 ( 10.011 -2.282 0.000) 10.268 5.174 ( -31.740 -3.285 0.000) 31.909 5.573 ( 14.019 -6.994 0.000) 15.667 6.091 ( 7.191 6.473 0.000) 9.676 7.638 ( -5.879 -1.682 0.000) 6.115 7.813 ( -11.731 -6.963 0.000) 13.642 8.173 ( 1.920 -6.248 0.000) 6.537 8.245 ( 4.186 6.262 0.000) 7.532 8.677 ( 5.142 2.002 0.000) 5.518 9.893 ( 4.190 14.162 0.000) 14.768 9.967 ( -1.411 -0.544 0.000) 1.512 9.999 ( 0.332 0.094 0.000) 0.345 11.327 ( -0.166 -4.775 0.000) 4.778 11.822 ( 0.271 -0.495 0.000) 0.564 12.863 ( -10.944 -19.862 0.000) 22.677 13.959 ( 5.749 27.284 0.000) 27.884 16.706 ( 2.182 2.763 0.000) 3.521 17.467 ( 5.303 -9.331 0.000) 10.732 ======================= Grid point 14 (10/200) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -3.714 10.619 0.000) 11.250 1.638 ( -1.760 8.614 0.000) 8.792 2.253 ( 18.127 11.092 0.000) 21.251 2.837 ( -14.900 7.624 0.000) 16.737 3.320 ( -0.223 1.177 0.000) 1.198 4.615 ( -9.297 0.625 0.000) 9.318 4.731 ( -28.798 -7.685 0.000) 29.806 5.289 ( 14.621 -1.937 0.000) 14.749 5.816 ( 1.352 -7.127 0.000) 7.254 6.201 ( 16.505 4.106 0.000) 17.008 7.578 ( -6.338 -5.302 0.000) 8.264 7.768 ( -8.688 -13.350 0.000) 15.928 8.190 ( 0.002 2.184 0.000) 2.184 8.345 ( 9.297 -0.128 0.000) 9.297 8.691 ( 2.491 6.215 0.000) 6.695 9.780 ( 0.657 11.445 0.000) 11.464 9.959 ( -0.930 -0.744 0.000) 1.191 10.007 ( 0.532 -0.690 0.000) 0.872 11.346 ( -1.244 -1.464 0.000) 1.921 11.858 ( 2.331 -1.335 0.000) 2.686 12.899 ( -14.805 -21.486 0.000) 26.093 13.727 ( 3.538 24.878 0.000) 25.129 16.680 ( -0.316 4.195 0.000) 4.206 17.639 ( 8.005 -1.636 0.000) 8.171 ======================= Grid point 15 (11/200) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -3.624 18.769 0.000) 19.116 1.421 ( -6.480 16.032 0.000) 17.292 2.277 ( -16.647 14.077 0.000) 21.801 2.490 ( 12.687 17.654 0.000) 21.740 3.298 ( -0.568 1.164 0.000) 1.295 4.424 ( -21.993 -11.941 0.000) 25.025 4.488 ( -5.835 -0.362 0.000) 5.846 5.540 ( 12.865 -1.262 0.000) 12.926 5.803 ( -7.614 -2.923 0.000) 8.156 6.497 ( 17.829 -2.089 0.000) 17.951 7.559 ( -5.813 -8.856 0.000) 10.593 7.791 ( -9.980 -13.633 0.000) 16.895 8.166 ( 0.377 1.344 0.000) 1.396 8.522 ( 11.659 -0.371 0.000) 11.665 8.620 ( 0.713 9.722 0.000) 9.748 9.652 ( -2.040 7.931 0.000) 8.189 9.944 ( -1.239 0.016 0.000) 1.239 10.039 ( 1.243 -1.936 0.000) 2.301 11.353 ( 1.420 -0.776 0.000) 1.619 11.906 ( 2.304 0.408 0.000) 2.340 12.860 ( -21.309 -21.370 0.000) 30.179 13.497 ( 2.341 21.965 0.000) 22.089 16.604 ( -1.911 5.139 0.000) 5.483 17.785 ( 11.895 3.999 0.000) 12.549 ======================= Grid point 16 (12/200) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -1.070 25.865 0.000) 25.888 1.069 ( -7.353 22.928 0.000) 24.078 1.627 ( -23.989 27.781 0.000) 36.705 2.662 ( 24.945 13.819 0.000) 28.517 3.278 ( -0.414 0.864 0.000) 0.958 4.293 ( -12.178 -13.721 0.000) 18.346 4.426 ( -2.619 -0.744 0.000) 2.722 5.671 ( -12.196 -2.761 0.000) 12.505 5.723 ( 7.508 -0.480 0.000) 7.523 6.796 ( 13.651 -3.987 0.000) 14.221 7.602 ( -3.494 -11.622 0.000) 12.136 7.721 ( -11.588 -5.620 0.000) 12.879 8.166 ( -2.094 -2.102 0.000) 2.967 8.495 ( -0.027 11.979 0.000) 11.979 8.721 ( 9.957 -1.670 0.000) 10.096 9.533 ( -3.254 4.763 0.000) 5.769 9.924 ( -0.893 0.262 0.000) 0.930 10.083 ( 0.960 -2.033 0.000) 2.248 11.438 ( 7.553 -2.192 0.000) 7.864 11.927 ( 3.898 3.533 0.000) 5.261 12.664 ( -31.593 -17.333 0.000) 36.035 13.294 ( 1.732 17.895 0.000) 17.979 16.509 ( -1.840 4.930 0.000) 5.262 17.960 ( 16.214 4.964 0.000) 16.957 ======================= Grid point 17 (13/200) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 27.924 0.000) 27.924 0.687 ( 0.000 28.614 0.000) 28.614 0.966 ( 0.000 38.351 0.000) 38.351 2.885 ( 0.000 2.169 0.000) 2.169 3.266 ( 0.000 0.510 0.000) 0.510 4.340 ( -0.000 -11.132 0.000) 11.132 4.414 ( -0.000 -0.606 0.000) 0.606 5.515 ( 0.000 1.502 0.000) 1.502 5.790 ( -0.000 -0.153 0.000) 0.153 7.002 ( -0.000 -5.420 0.000) 5.420 7.619 ( -0.000 -0.504 0.000) 0.504 7.719 ( -0.000 -12.911 0.000) 12.911 8.133 ( 0.000 0.681 0.000) 0.681 8.346 ( 0.000 12.991 0.000) 12.991 8.846 ( -0.000 -2.668 0.000) 2.668 9.436 ( 0.000 4.373 0.000) 4.373 9.913 ( 0.000 0.236 0.000) 0.236 10.112 ( -0.000 -1.491 0.000) 1.491 11.627 ( -0.000 -8.535 0.000) 8.535 12.064 ( -0.000 -3.850 0.000) 3.850 12.227 ( 0.000 6.935 0.000) 6.935 13.128 ( 0.000 12.982 0.000) 12.982 16.441 ( 0.000 3.520 0.000) 3.520 18.147 ( -0.000 -1.976 0.000) 1.976 ======================= Grid point 20 (14/200) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 15.387 -0.000 0.000) 15.387 1.614 ( 8.227 -0.000 0.000) 8.227 1.951 ( 23.745 -0.000 0.000) 23.745 2.524 ( 22.204 -0.000 0.000) 22.204 3.324 ( 1.576 -0.000 0.000) 1.576 4.762 ( 11.185 -0.000 0.000) 11.185 5.102 ( -15.101 0.000 0.000) 15.101 5.262 ( 10.871 -0.000 0.000) 10.871 5.663 ( -31.626 0.000 0.000) 31.626 6.109 ( 6.080 -0.000 0.000) 6.080 7.749 ( -7.867 0.000 0.000) 7.867 7.899 ( -2.048 0.000 0.000) 2.048 7.960 ( -7.332 0.000 0.000) 7.332 8.414 ( -3.964 0.000 0.000) 3.964 8.549 ( 10.571 -0.000 0.000) 10.571 9.990 ( 1.038 -0.000 0.000) 1.038 10.001 ( -2.882 0.000 0.000) 2.882 10.233 ( 6.900 -0.000 0.000) 6.900 11.069 ( 2.142 -0.000 0.000) 2.142 11.846 ( 0.001 -0.000 0.000) 0.001 12.618 ( -8.774 0.000 0.000) 8.774 14.618 ( -1.289 0.000 0.000) 1.289 16.787 ( 5.750 -0.000 0.000) 5.750 16.856 ( 11.573 -0.000 0.000) 11.573 ======================= Grid point 21 (15/200) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 10.134 0.343 0.000) 10.140 1.732 ( 6.376 1.366 0.000) 6.521 2.291 ( 22.929 8.219 0.000) 24.357 2.824 ( 7.263 -6.886 0.000) 10.009 3.346 ( 1.306 0.466 0.000) 1.387 4.846 ( -11.992 1.916 0.000) 12.144 4.986 ( 12.156 -2.050 0.000) 12.327 5.115 ( -34.945 -1.394 0.000) 34.973 5.435 ( 8.736 -3.627 0.000) 9.459 6.218 ( 8.645 3.243 0.000) 9.233 7.610 ( -8.930 -0.630 0.000) 8.952 7.701 ( -14.500 -2.456 0.000) 14.706 8.035 ( 4.392 -3.789 0.000) 5.801 8.364 ( 0.789 3.021 0.000) 3.122 8.711 ( 8.900 0.762 0.000) 8.932 9.957 ( -2.305 -0.222 0.000) 2.316 10.001 ( 0.232 0.039 0.000) 0.235 10.248 ( 4.361 11.885 0.000) 12.660 11.159 ( 2.067 -7.240 0.000) 7.530 11.828 ( -1.205 0.814 0.000) 1.454 12.526 ( -8.144 -7.884 0.000) 11.335 14.491 ( -1.707 14.131 0.000) 14.233 16.820 ( 6.202 7.112 0.000) 9.437 17.160 ( 9.867 -13.812 0.000) 16.975 ======================= Grid point 22 (16/200) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 6.076 7.941 0.000) 9.998 1.793 ( 4.636 4.352 0.000) 6.359 2.511 ( 16.830 10.672 0.000) 19.928 2.894 ( -4.936 -2.190 0.000) 5.400 3.352 ( 0.615 1.301 0.000) 1.439 4.575 ( -33.767 -4.966 0.000) 34.130 4.633 ( -10.868 0.796 0.000) 10.897 5.243 ( 15.234 -1.694 0.000) 15.328 5.636 ( 6.399 -7.032 0.000) 9.508 6.315 ( 9.505 4.574 0.000) 10.548 7.478 ( -9.379 -2.969 0.000) 9.838 7.530 ( -12.115 -6.658 0.000) 13.824 8.143 ( 2.258 -4.092 0.000) 4.674 8.386 ( 6.367 2.823 0.000) 6.965 8.811 ( 6.150 3.700 0.000) 7.177 9.936 ( -1.104 -0.971 0.000) 1.470 9.998 ( -0.492 -0.108 0.000) 0.504 10.129 ( 1.275 15.225 0.000) 15.278 11.260 ( 0.226 -5.565 0.000) 5.569 11.813 ( -0.477 -1.563 0.000) 1.635 12.514 ( -7.860 -11.298 0.000) 13.763 14.266 ( -1.651 18.550 0.000) 18.623 16.818 ( 3.930 7.707 0.000) 8.651 17.467 ( 8.928 -11.428 0.000) 14.502 ======================= Grid point 23 (17/200) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 5.911 15.958 0.000) 17.018 1.743 ( 0.103 10.656 0.000) 10.656 2.516 ( -7.832 7.438 0.000) 10.802 2.824 ( 8.472 10.083 0.000) 13.169 3.337 ( -0.042 1.941 0.000) 1.941 4.153 ( -27.300 -10.212 0.000) 29.148 4.480 ( -7.089 -0.270 0.000) 7.094 5.508 ( 13.859 -1.406 0.000) 13.930 5.742 ( -1.657 -2.761 0.000) 3.220 6.461 ( 11.498 -0.503 0.000) 11.509 7.380 ( -8.574 -6.079 0.000) 10.510 7.468 ( -8.728 -11.587 0.000) 14.507 8.190 ( 0.152 -0.827 0.000) 0.841 8.506 ( 9.537 0.024 0.000) 9.537 8.824 ( 3.324 7.206 0.000) 7.936 9.937 ( -0.495 -0.804 0.000) 0.944 9.950 ( -0.954 14.840 0.000) 14.870 9.997 ( -0.297 -1.313 0.000) 1.346 11.303 ( -0.136 -2.902 0.000) 2.906 11.847 ( -0.410 -4.465 0.000) 4.484 12.509 ( -8.520 -9.912 0.000) 13.071 14.012 ( -1.286 19.925 0.000) 19.967 16.765 ( 1.434 8.632 0.000) 8.750 17.722 ( 8.213 -7.896 0.000) 11.393 ======================= Grid point 24 (18/200) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -2.036 17.521 0.000) 17.639 1.593 ( 4.370 23.297 0.000) 23.703 2.152 ( -15.333 15.617 0.000) 21.886 2.921 ( 14.559 10.135 0.000) 17.739 3.310 ( -0.226 1.917 0.000) 1.930 3.938 ( -16.230 -15.341 0.000) 22.333 4.405 ( -3.204 -1.061 0.000) 3.375 5.672 ( -5.802 1.840 0.000) 6.086 5.709 ( 8.395 -0.651 0.000) 8.420 6.675 ( 8.850 -5.483 0.000) 10.411 7.353 ( -5.258 -9.217 0.000) 10.612 7.487 ( -6.704 -11.877 0.000) 13.638 8.184 ( -0.149 1.167 0.000) 1.176 8.668 ( 7.601 -2.098 0.000) 7.885 8.758 ( 1.209 9.975 0.000) 10.048 9.763 ( -1.278 12.980 0.000) 13.043 9.930 ( -0.619 0.191 0.000) 0.648 10.024 ( 0.390 -2.751 0.000) 2.778 11.352 ( 1.871 -3.670 0.000) 4.119 11.888 ( -1.722 -5.417 0.000) 5.684 12.452 ( -8.583 -4.271 0.000) 9.587 13.761 ( -0.313 20.051 0.000) 20.054 16.670 ( -0.157 8.734 0.000) 8.735 17.928 ( 6.661 -6.008 0.000) 8.970 ======================= Grid point 25 (19/200) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 0.000 22.733 0.000) 22.733 1.340 ( 0.000 26.366 0.000) 26.366 1.747 ( 0.000 26.370 0.000) 26.370 2.975 ( 0.000 5.923 0.000) 5.923 3.288 ( 0.000 1.438 0.000) 1.438 3.997 ( -0.000 -16.917 0.000) 16.917 4.393 ( -0.000 -1.146 0.000) 1.146 5.572 ( 0.000 3.370 0.000) 3.370 5.785 ( -0.000 -0.234 0.000) 0.234 6.841 ( -0.000 -7.608 0.000) 7.608 7.431 ( -0.000 -11.255 0.000) 11.255 7.529 ( -0.000 -7.368 0.000) 7.368 8.166 ( 0.000 1.664 0.000) 1.664 8.638 ( 0.000 11.572 0.000) 11.572 8.771 ( -0.000 -3.234 0.000) 3.234 9.612 ( 0.000 10.548 0.000) 10.548 9.920 ( 0.000 0.360 0.000) 0.360 10.062 ( -0.000 -2.707 0.000) 2.707 11.441 ( -0.000 -6.570 0.000) 6.570 11.940 ( -0.000 -6.286 0.000) 6.286 12.356 ( 0.000 3.401 0.000) 3.401 13.527 ( 0.000 19.420 0.000) 19.420 16.569 ( 0.000 7.392 0.000) 7.392 18.063 ( -0.000 -5.440 0.000) 5.440 ======================= Grid point 30 (20/200) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 6.908 -0.000 0.000) 6.908 1.879 ( 9.089 -0.000 0.000) 9.089 2.703 ( 19.736 -0.000 0.000) 19.736 2.801 ( -4.433 0.000 0.000) 4.433 3.369 ( 1.046 -0.000 0.000) 1.046 4.514 ( -35.780 0.000 0.000) 35.780 4.644 ( -11.781 0.000 0.000) 11.781 5.221 ( 15.701 -0.000 0.000) 15.701 5.542 ( 7.863 -0.000 0.000) 7.863 6.376 ( 7.510 -0.000 0.000) 7.510 7.442 ( -10.424 0.000 0.000) 10.424 7.451 ( -13.513 0.000 0.000) 13.513 8.085 ( 4.072 -0.000 0.000) 4.072 8.425 ( 4.708 -0.000 0.000) 4.708 8.856 ( 7.541 -0.000 0.000) 7.541 9.923 ( -1.509 0.000 0.000) 1.509 9.998 ( -0.670 0.000 0.000) 0.670 10.348 ( -1.086 0.000 0.000) 1.086 11.160 ( 3.295 -0.000 0.000) 3.295 11.799 ( -2.742 0.000 0.000) 2.742 12.375 ( -4.585 0.000 0.000) 4.585 14.503 ( -5.388 0.000 0.000) 5.388 16.983 ( 5.605 -0.000 0.000) 5.605 17.243 ( 10.996 -0.000 0.000) 10.996 ======================= Grid point 31 (21/200) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 3.476 3.533 0.000) 4.956 2.005 ( 9.814 5.811 0.000) 11.406 2.648 ( -9.880 3.309 0.000) 10.420 2.970 ( 13.279 2.772 0.000) 13.565 3.377 ( 0.532 1.085 0.000) 1.209 3.976 ( -30.949 -4.181 0.000) 31.230 4.476 ( -8.284 -0.090 0.000) 8.284 5.481 ( 14.695 -0.656 0.000) 14.709 5.678 ( 5.607 -1.929 0.000) 5.930 6.471 ( 5.466 0.770 0.000) 5.520 7.275 ( -10.227 -4.370 0.000) 11.121 7.281 ( -10.149 -2.172 0.000) 10.379 8.152 ( 2.543 -1.329 0.000) 2.869 8.522 ( 7.498 0.741 0.000) 7.534 8.945 ( 4.999 2.772 0.000) 5.717 9.912 ( -0.299 -0.823 0.000) 0.876 9.981 ( -1.284 -0.183 0.000) 1.297 10.245 ( -4.210 7.922 0.000) 8.971 11.233 ( 2.565 -2.397 0.000) 3.511 11.759 ( -3.055 -2.096 0.000) 3.704 12.350 ( -1.899 -3.575 0.000) 4.048 14.359 ( -5.072 8.133 0.000) 9.585 16.998 ( 4.186 9.536 0.000) 10.414 17.480 ( 8.168 -10.221 0.000) 13.084 ======================= Grid point 32 (22/200) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.788 8.983 0.000) 9.017 2.049 ( 8.769 13.841 0.000) 16.385 2.397 ( -12.212 7.069 0.000) 14.111 3.122 ( 11.987 5.052 0.000) 13.008 3.362 ( 0.076 2.123 0.000) 2.124 3.624 ( -21.148 -9.696 0.000) 23.265 4.380 ( -4.004 -0.903 0.000) 4.105 5.695 ( 9.411 -0.510 0.000) 9.425 5.726 ( 0.206 2.227 0.000) 2.237 6.567 ( 4.443 -3.252 0.000) 5.506 7.179 ( -6.740 -5.214 0.000) 8.521 7.227 ( -5.260 -9.040 0.000) 10.459 8.190 ( 0.702 -0.409 0.000) 0.812 8.640 ( 6.355 -0.321 0.000) 6.363 8.952 ( 2.222 6.116 0.000) 6.508 9.926 ( 0.367 -0.705 0.000) 0.795 9.968 ( -1.039 -1.498 0.000) 1.823 10.065 ( -3.334 10.813 0.000) 11.315 11.289 ( 1.600 -1.636 0.000) 2.288 11.752 ( -2.850 -4.864 0.000) 5.638 12.370 ( -1.045 -3.069 0.000) 3.242 14.167 ( -2.655 12.958 0.000) 13.227 16.918 ( 1.737 11.758 0.000) 11.885 17.716 ( 4.673 -11.056 0.000) 12.003 ======================= Grid point 33 (23/200) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 0.000 14.443 0.000) 14.443 1.919 ( 0.000 22.302 0.000) 22.302 2.169 ( 0.000 9.844 0.000) 9.844 3.172 ( 0.000 9.973 0.000) 9.973 3.334 ( 0.000 2.373 0.000) 2.373 3.582 ( -0.000 -17.519 0.000) 17.519 4.362 ( -0.000 -1.367 0.000) 1.367 5.671 ( 0.000 4.767 0.000) 4.767 5.779 ( -0.000 -0.205 0.000) 0.205 6.670 ( -0.000 -6.363 0.000) 6.363 7.200 ( -0.000 -7.991 0.000) 7.991 7.303 ( -0.000 -10.659 0.000) 10.659 8.192 ( 0.000 0.502 0.000) 0.502 8.711 ( -0.000 -1.630 0.000) 1.630 8.881 ( 0.000 8.685 0.000) 8.685 9.899 ( 0.000 12.360 0.000) 12.360 9.928 ( 0.000 0.316 0.000) 0.316 9.991 ( -0.000 -3.068 0.000) 3.068 11.329 ( -0.000 -2.860 0.000) 2.860 11.788 ( -0.000 -6.055 0.000) 6.055 12.382 ( -0.000 -0.941 0.000) 0.941 13.971 ( 0.000 16.679 0.000) 16.679 16.792 ( 0.000 11.301 0.000) 11.301 17.882 ( -0.000 -9.884 0.000) 9.884 ======================= Grid point 40 (24/200) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 1.718 -0.000 0.000) 1.718 2.205 ( 9.052 -0.000 0.000) 9.052 2.506 ( -8.004 0.000 0.000) 8.004 3.148 ( 4.324 -0.000 0.000) 4.324 3.391 ( 0.287 -0.000 0.000) 0.287 3.523 ( -17.985 0.000 0.000) 17.985 4.368 ( -4.438 0.000 0.000) 4.438 5.688 ( 9.891 -0.000 0.000) 9.891 5.756 ( 3.825 -0.000 0.000) 3.825 6.530 ( 1.976 -0.000 0.000) 1.976 7.110 ( -5.932 0.000 0.000) 5.932 7.116 ( -7.354 0.000 0.000) 7.354 8.182 ( 1.588 -0.000 0.000) 1.588 8.640 ( 5.676 -0.000 0.000) 5.676 9.028 ( 2.685 -0.000 0.000) 2.685 9.910 ( 0.658 -0.000 0.000) 0.658 9.955 ( -1.598 0.000 0.000) 1.598 10.203 ( -4.935 0.000 0.000) 4.935 11.271 ( 2.723 -0.000 0.000) 2.723 11.691 ( -2.866 0.000 0.000) 2.866 12.327 ( 0.471 -0.000 0.000) 0.471 14.326 ( -3.783 0.000 0.000) 3.783 17.122 ( 2.366 -0.000 0.000) 2.366 17.518 ( 4.737 -0.000 0.000) 4.737 ======================= Grid point 42 (25/200) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.000 4.794 0.000) 4.794 2.284 ( 0.000 1.555 0.000) 1.555 2.355 ( 0.000 12.649 0.000) 12.649 3.218 ( -0.000 -11.151 0.000) 11.151 3.367 ( 0.000 4.942 0.000) 4.942 3.385 ( 0.000 1.395 0.000) 1.395 4.335 ( -0.000 -0.697 0.000) 0.697 5.770 ( 0.000 2.809 0.000) 2.809 5.776 ( -0.000 -0.081 0.000) 0.081 6.561 ( -0.000 -2.539 0.000) 2.539 7.068 ( -0.000 -2.948 0.000) 2.948 7.094 ( -0.000 -5.483 0.000) 5.483 8.196 ( -0.000 -0.028 0.000) 0.028 8.692 ( -0.000 -0.224 0.000) 0.224 9.029 ( 0.000 3.452 0.000) 3.452 9.932 ( -0.000 -1.525 0.000) 1.525 9.934 ( 0.000 0.125 0.000) 0.125 10.125 ( 0.000 5.493 0.000) 5.493 11.297 ( -0.000 -0.302 0.000) 0.302 11.680 ( -0.000 -2.570 0.000) 2.570 12.342 ( -0.000 -1.498 0.000) 1.498 14.255 ( 0.000 6.454 0.000) 6.454 17.071 ( 0.000 10.349 0.000) 10.349 17.626 ( -0.000 -9.807 0.000) 9.807 ======================= Grid point 83 (26/200) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 0.000 0.000 23.995) 23.995 0.601 ( 0.000 0.000 29.835) 29.835 1.179 ( 0.000 0.000 57.748) 57.748 1.481 ( 0.000 0.000 -0.033) 0.033 3.392 ( 0.000 0.000 12.533) 12.533 4.497 ( 0.000 0.000 1.756) 1.756 4.895 ( 0.000 0.000 13.903) 13.903 5.502 ( 0.000 0.000 0.396) 0.396 5.834 ( 0.000 0.000 4.098) 4.098 6.769 ( 0.000 0.000 -6.733) 6.733 7.670 ( 0.000 0.000 5.830) 5.830 8.115 ( 0.000 0.000 -1.377) 1.377 8.133 ( 0.000 0.000 9.041) 9.041 8.533 ( 0.000 0.000 -3.107) 3.107 9.238 ( 0.000 0.000 -13.369) 13.369 9.874 ( 0.000 0.000 3.394) 3.394 9.990 ( 0.000 0.000 6.348) 6.348 11.045 ( 0.000 0.000 2.022) 2.022 11.722 ( 0.000 0.000 -4.379) 4.379 12.126 ( 0.000 0.000 1.832) 1.832 12.930 ( 0.000 0.000 -3.576) 3.576 14.372 ( 0.000 0.000 2.331) 2.331 16.372 ( 0.000 0.000 -2.771) 2.771 16.556 ( 0.000 0.000 -1.754) 1.754 ======================= Grid point 84 (27/200) ======================= q-point: ( 0.11 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 17.808 -3.963 19.042) 26.371 0.883 ( 20.067 -14.176 17.713) 30.289 1.404 ( 15.542 -14.414 42.024) 47.067 1.690 ( -2.270 -27.211 -7.207) 28.240 3.396 ( 0.336 -0.177 12.374) 12.380 4.543 ( 9.430 5.387 1.718) 10.995 4.789 ( -4.925 3.052 20.020) 20.842 5.631 ( 11.113 2.053 -7.521) 13.574 5.780 ( -6.771 -0.854 4.524) 8.188 6.706 ( -8.332 -0.261 -5.602) 10.043 7.685 ( 2.108 -1.304 2.634) 3.617 8.082 ( -1.714 3.636 3.240) 5.163 8.211 ( 6.092 -2.811 6.395) 9.269 8.475 ( -5.100 1.463 -2.350) 5.803 9.228 ( -3.598 -1.748 -5.209) 6.568 9.717 ( -8.042 14.152 10.082) 19.147 10.008 ( 1.579 0.083 5.743) 5.956 10.787 ( -11.834 30.308 29.038) 43.610 11.471 ( -29.798 -6.249 18.508) 35.630 11.789 ( -6.268 -9.005 1.564) 11.083 12.947 ( -2.754 -6.826 -3.714) 8.245 13.891 ( 30.345 71.490 16.804) 79.460 16.403 ( 2.743 -1.349 -2.958) 4.254 17.026 ( -11.577 -51.274 -19.752) 56.153 ======================= Grid point 85 (28/200) ======================= q-point: ( 0.22 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 19.648 -2.386 11.611) 22.946 1.358 ( 15.624 -13.917 21.307) 29.863 1.854 ( -2.886 -24.255 -5.530) 25.045 2.004 ( 19.667 -16.056 18.297) 31.295 3.407 ( 0.596 -0.322 11.909) 11.928 4.682 ( 16.779 7.772 1.256) 18.534 4.734 ( 1.835 1.877 19.306) 19.484 5.613 ( -10.945 0.651 3.437) 11.490 5.773 ( 6.699 1.697 -6.740) 9.653 6.494 ( -16.440 0.995 -1.953) 16.585 7.773 ( 5.018 -1.609 -2.116) 5.679 7.998 ( -2.130 3.346 6.301) 7.446 8.335 ( 5.884 2.355 6.301) 8.937 8.364 ( -7.002 -2.289 -2.877) 7.909 9.049 ( -16.651 4.800 30.147) 34.773 9.484 ( 4.106 10.781 -9.936) 15.226 10.035 ( 1.584 -0.195 6.394) 6.590 10.374 ( -5.287 11.924 24.832) 28.050 11.324 ( -6.480 -7.517 4.928) 11.080 11.824 ( -1.462 -4.842 -1.659) 5.323 13.004 ( -4.781 -13.583 -4.160) 14.988 13.694 ( 24.159 44.337 6.279) 50.881 16.483 ( 4.013 -2.128 -3.307) 5.619 17.286 ( -10.735 -28.661 -11.835) 32.814 ======================= Grid point 86 (29/200) ======================= q-point: ( 0.33 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 18.284 0.984 6.064) 19.289 1.707 ( 6.968 -12.389 20.914) 25.287 1.961 ( -7.432 -13.876 3.762) 16.184 2.555 ( 20.706 -13.012 3.439) 24.696 3.421 ( 0.631 -0.307 11.300) 11.322 4.782 ( 7.165 2.597 13.702) 15.679 4.925 ( 20.668 4.009 3.865) 21.405 5.395 ( -13.752 0.436 5.714) 14.898 5.842 ( 4.367 3.135 -6.650) 8.551 6.163 ( -21.704 -0.038 1.853) 21.783 7.804 ( 1.803 6.581 1.071) 6.907 8.004 ( 0.811 -5.737 0.053) 5.794 8.259 ( -4.882 -0.250 -2.220) 5.369 8.367 ( 0.365 4.791 13.150) 14.000 8.755 ( -9.444 3.134 22.266) 24.388 9.507 ( 5.211 2.478 -14.319) 15.438 10.064 ( 1.068 -0.943 7.897) 8.024 10.229 ( -1.472 5.874 16.166) 17.263 11.341 ( -0.663 -4.175 2.493) 4.907 11.836 ( -1.992 -1.978 -1.656) 3.259 13.108 ( -5.974 -18.603 -4.826) 20.126 13.583 ( 16.601 32.352 1.506) 36.394 16.571 ( 3.391 -1.846 -3.678) 5.333 17.404 ( -5.840 -15.330 -7.719) 18.130 ======================= Grid point 87 (30/200) ======================= q-point: ( 0.44 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 12.615 3.681 1.615) 13.240 1.838 ( -6.448 -8.977 7.612) 13.420 1.995 ( 0.045 -3.262 24.062) 24.282 2.915 ( 8.246 -5.014 -4.448) 10.626 3.432 ( 0.298 -0.148 10.870) 10.875 4.890 ( 7.516 1.382 9.656) 12.314 5.176 ( -9.404 -0.462 8.031) 12.375 5.269 ( 21.401 0.281 3.929) 21.761 5.698 ( -18.249 4.578 0.863) 18.834 5.945 ( -2.965 -2.041 -1.740) 3.998 7.750 ( 0.092 3.192 1.501) 3.529 8.064 ( -0.407 -2.423 -3.988) 4.684 8.211 ( -0.426 1.555 1.916) 2.504 8.300 ( -1.785 0.565 23.856) 23.930 8.659 ( -1.595 0.608 3.697) 4.072 9.554 ( 1.962 0.329 -12.792) 12.945 10.092 ( 0.482 -1.556 10.664) 10.788 10.161 ( -0.480 3.175 12.102) 12.521 11.379 ( 0.561 -1.532 1.677) 2.340 11.817 ( -1.260 -0.285 -1.223) 1.779 13.225 ( -4.834 -14.499 -5.633) 16.289 13.481 ( 8.286 18.367 -0.209) 20.150 16.627 ( 1.306 -0.720 -3.909) 4.184 17.461 ( -1.786 -4.929 -6.356) 8.239 ======================= Grid point 93 (31/200) ======================= q-point: ( 0.11 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 23.073 -0.000 14.234) 27.110 1.144 ( 22.100 -0.000 17.909) 28.445 1.536 ( 3.586 -0.000 -0.299) 3.598 1.721 ( 28.312 -0.000 30.784) 41.824 3.404 ( 0.761 -0.000 12.028) 12.052 4.744 ( 4.239 -0.000 16.048) 16.598 4.797 ( 10.930 -0.000 4.530) 11.832 5.615 ( -11.937 0.000 4.100) 12.622 5.806 ( 7.507 -0.000 -11.034) 13.346 6.504 ( -16.134 0.000 -0.615) 16.146 7.711 ( 3.262 -0.000 -0.542) 3.306 8.087 ( -2.355 0.000 2.266) 3.268 8.307 ( 5.239 -0.000 6.315) 8.205 8.358 ( -6.576 0.000 0.446) 6.591 9.077 ( -13.901 0.000 18.167) 22.875 9.682 ( -3.485 0.000 -4.117) 5.395 10.038 ( 1.614 -0.000 4.989) 5.243 10.728 ( -21.381 0.000 40.640) 45.921 11.046 ( 0.399 -0.000 1.994) 2.033 11.764 ( 1.979 -0.000 -4.279) 4.715 12.836 ( -5.520 0.000 -3.339) 6.451 14.567 ( 2.568 -0.000 -3.252) 4.144 16.493 ( 7.250 -0.000 -3.450) 8.029 16.611 ( 3.276 -0.000 -1.967) 3.822 ======================= Grid point 94 (32/200) ======================= q-point: ( 0.22 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 18.426 -0.930 11.951) 21.982 1.549 ( 20.313 -3.659 18.782) 27.907 1.644 ( 4.475 -5.072 -1.011) 6.839 2.257 ( 25.845 -9.812 13.491) 30.761 3.419 ( 1.012 0.030 11.486) 11.531 4.808 ( 5.935 0.287 17.867) 18.829 5.019 ( 15.419 2.626 -0.363) 15.645 5.394 ( -14.592 -0.233 4.285) 15.210 5.902 ( 6.013 1.592 -8.152) 10.254 6.174 ( -23.231 0.440 3.245) 23.461 7.805 ( 4.699 -3.990 -3.439) 7.059 8.001 ( -4.601 4.538 5.306) 8.361 8.175 ( -11.334 -3.658 -1.994) 12.075 8.469 ( 8.275 1.317 8.181) 11.710 8.806 ( -15.548 1.251 27.449) 31.571 9.651 ( 3.493 5.430 -14.980) 16.312 10.058 ( 0.983 0.122 6.038) 6.119 10.452 ( -2.778 11.635 23.048) 25.967 11.140 ( -0.534 -10.951 3.137) 11.404 11.798 ( 1.029 -0.713 -3.609) 3.820 12.774 ( -7.363 -7.779 -3.228) 11.187 14.401 ( 5.647 28.638 -1.681) 29.238 16.569 ( 6.575 2.924 -3.300) 7.917 16.885 ( 2.749 -23.985 -4.593) 24.575 ======================= Grid point 95 (33/200) ======================= q-point: ( 0.33 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.483 -3.986 3.290) 5.191 1.818 ( 18.222 4.349 5.050) 19.403 1.885 ( 13.582 -2.794 21.629) 25.693 2.726 ( 15.321 -9.456 1.524) 18.068 3.434 ( 0.906 0.220 10.873) 10.912 4.923 ( 7.520 1.205 13.891) 15.842 5.150 ( -11.968 -1.197 4.415) 12.813 5.262 ( 13.380 -0.967 0.464) 13.423 5.743 ( -27.279 0.401 6.508) 28.047 5.981 ( 6.963 3.357 -4.877) 9.140 7.835 ( -6.857 3.892 2.631) 8.312 7.935 ( 0.734 -5.859 -3.448) 6.838 8.093 ( -5.679 -7.477 3.612) 10.060 8.456 ( -3.665 8.127 16.878) 19.088 8.669 ( 0.608 -0.821 10.357) 10.407 9.653 ( 4.184 5.672 -16.226) 17.691 10.071 ( 0.627 -0.301 7.828) 7.859 10.316 ( 0.682 10.023 16.644) 19.441 11.259 ( 0.479 -8.684 2.284) 8.992 11.807 ( -0.343 -0.050 -2.347) 2.372 12.780 ( -8.327 -14.964 -3.242) 17.429 14.157 ( 6.265 28.963 -2.597) 29.746 16.637 ( 4.742 2.035 -3.642) 6.316 17.182 ( 3.436 -17.308 -5.288) 18.421 ======================= Grid point 96 (34/200) ======================= q-point: ( 0.44 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -4.024 1.521 0.147) 4.304 2.025 ( 6.303 -0.656 23.501) 24.340 2.081 ( 17.883 10.914 6.690) 21.993 2.934 ( -0.096 -3.069 -4.311) 5.293 3.441 ( 0.459 0.555 10.602) 10.627 4.861 ( -12.621 -1.067 4.463) 13.429 5.153 ( 8.623 -2.015 9.859) 13.252 5.272 ( -25.224 0.565 10.257) 27.235 5.551 ( 11.504 -6.693 -0.344) 13.314 6.056 ( 9.237 5.862 -2.199) 11.159 7.692 ( -7.852 -1.697 0.123) 8.034 7.961 ( -4.910 -6.454 8.886) 12.030 8.160 ( 0.563 -6.964 -0.191) 6.990 8.330 ( 0.053 4.935 14.377) 15.200 8.700 ( 3.519 3.141 1.908) 5.088 9.642 ( 2.287 5.716 -14.729) 15.964 10.091 ( 0.969 -0.994 10.222) 10.316 10.219 ( 0.105 7.744 13.561) 15.617 11.343 ( -0.318 -4.694 1.580) 4.963 11.808 ( 0.659 -0.668 -1.161) 1.492 12.838 ( -9.829 -19.468 -2.592) 21.962 13.920 ( 4.540 26.613 -3.894) 27.277 16.668 ( 2.297 2.913 -3.758) 5.280 17.406 ( 5.106 -8.876 -5.878) 11.807 ======================= Grid point 97 (35/200) ======================= q-point: (-0.44 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -5.938 6.991 0.196) 9.175 2.007 ( -0.816 10.438 28.379) 30.249 2.234 ( 15.147 10.700 -0.434) 18.550 2.798 ( -12.835 6.561 -2.999) 14.723 3.436 ( -0.013 0.897 10.900) 10.936 4.659 ( -17.756 -6.955 2.165) 19.192 4.883 ( -18.166 0.121 16.266) 24.385 5.367 ( 12.348 -1.918 5.742) 13.752 5.752 ( 2.235 -4.561 -2.892) 5.845 6.199 ( 15.800 3.112 0.073) 16.104 7.631 ( -5.943 -7.183 -0.174) 9.325 7.963 ( -6.219 -9.673 15.962) 19.673 8.200 ( -0.311 -0.108 0.884) 0.943 8.365 ( 6.067 -0.013 5.883) 8.451 8.724 ( 4.353 2.297 3.408) 5.987 9.585 ( -0.302 6.760 -13.492) 15.094 10.121 ( 1.054 2.386 13.141) 13.397 10.147 ( -0.218 0.470 10.709) 10.722 11.362 ( -1.312 -1.667 1.468) 2.580 11.851 ( 2.929 -1.070 -0.450) 3.151 12.896 ( -13.056 -21.577 -0.584) 25.226 13.678 ( 2.606 24.082 -4.702) 24.675 16.643 ( -0.134 4.261 -3.645) 5.609 17.564 ( 7.134 -1.031 -7.154) 10.155 ======================= Grid point 98 (36/200) ======================= q-point: (-0.33 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -5.714 12.604 2.309) 14.030 1.759 ( -8.392 18.220 22.310) 30.002 2.297 ( 1.974 10.145 1.984) 10.524 2.429 ( -5.916 19.956 0.624) 20.824 3.423 ( -0.046 1.065 11.647) 11.696 4.439 ( -20.409 -11.661 1.854) 23.578 4.701 ( -5.556 -0.993 18.887) 19.712 5.568 ( 6.565 -2.847 -0.750) 7.195 5.765 ( -0.202 0.846 1.713) 1.921 6.462 ( 15.137 -1.420 -2.501) 15.407 7.646 ( -4.998 -9.376 0.050) 10.625 7.969 ( -5.238 -7.072 15.620) 17.928 8.200 ( -1.020 -2.596 4.308) 5.132 8.452 ( 5.332 3.197 -2.735) 6.792 8.843 ( 8.379 -6.623 17.101) 20.162 9.478 ( -2.354 7.109 -13.330) 15.289 10.067 ( -1.127 2.975 9.110) 9.649 10.209 ( 2.707 -4.162 15.959) 16.714 11.369 ( 0.850 -1.470 1.329) 2.156 11.913 ( 4.332 1.023 1.027) 4.568 12.897 ( -19.219 -22.813 3.255) 30.006 13.444 ( 1.661 21.100 -5.011) 21.750 16.569 ( -1.715 5.140 -3.376) 6.384 17.673 ( 9.626 5.796 -10.256) 15.213 ======================= Grid point 99 (37/200) ======================= q-point: (-0.22 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -1.769 18.177 7.352) 19.687 1.324 ( -14.607 21.529 13.141) 29.147 1.901 ( -12.438 21.793 29.259) 38.544 2.331 ( 10.641 22.579 -19.060) 31.406 3.410 ( -0.024 1.129 12.309) 12.361 4.314 ( -11.625 -13.051 2.381) 17.639 4.690 ( 0.160 -4.251 20.348) 20.788 5.576 ( -6.847 -1.914 -5.356) 8.901 5.815 ( 6.288 1.980 7.357) 9.879 6.690 ( 9.100 -1.969 -6.986) 11.640 7.654 ( -5.050 -5.642 -0.246) 7.576 8.000 ( 1.234 -5.654 15.501) 16.546 8.200 ( -4.380 -3.210 5.062) 7.424 8.474 ( 2.977 3.122 -2.766) 5.124 9.150 ( 9.619 -18.068 28.975) 35.476 9.362 ( -2.651 4.204 -13.922) 14.783 10.023 ( -0.942 1.573 7.392) 7.616 10.336 ( 4.027 -8.685 23.852) 25.702 11.449 ( 5.121 -4.296 0.257) 6.689 11.991 ( 11.063 4.108 6.284) 13.370 12.773 ( -30.089 -24.145 10.904) 40.090 13.244 ( 1.539 17.192 -4.859) 17.932 16.478 ( -1.706 4.899 -3.082) 6.034 17.742 ( 10.744 12.165 -18.154) 24.352 ======================= Grid point 100 (38/200) ======================= q-point: (-0.11 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 23.651 13.105) 27.039 0.861 ( 0.000 18.435 14.595) 23.513 1.512 ( 0.000 23.672 43.657) 49.662 2.117 ( 0.000 30.827 -28.019) 41.658 3.398 ( 0.000 0.672 12.513) 12.531 4.363 ( -0.000 -10.739 2.237) 10.970 4.779 ( -0.000 -7.240 19.707) 20.995 5.502 ( 0.000 0.097 -0.959) 0.964 5.852 ( 0.000 1.426 5.721) 5.896 6.781 ( -0.000 -0.164 -9.647) 9.648 7.651 ( -0.000 -2.407 3.034) 3.873 8.115 ( -0.000 -4.381 13.210) 13.917 8.133 ( 0.000 1.568 0.125) 1.573 8.492 ( -0.000 -1.394 -0.532) 1.492 9.280 ( 0.000 3.819 -13.569) 14.096 9.539 ( -0.000 -27.171 24.664) 36.696 10.000 ( 0.000 0.919 6.728) 6.791 10.560 ( -0.000 -22.298 33.056) 39.874 11.595 ( -0.000 -8.078 -3.244) 8.705 12.236 ( 0.000 6.635 0.865) 6.691 12.621 ( -0.000 -43.337 46.598) 63.635 13.084 ( 0.000 12.434 -4.240) 13.137 16.411 ( 0.000 3.491 -2.931) 4.558 17.652 ( 0.000 25.718 -32.517) 41.459 ======================= Grid point 103 (39/200) ======================= q-point: ( 0.22 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 5.863 -0.000 0.460) 5.881 1.751 ( 14.726 -0.000 21.633) 26.169 1.977 ( 23.283 -0.000 2.935) 23.467 2.579 ( 18.731 -0.000 7.657) 20.236 3.438 ( 1.106 -0.000 10.853) 10.909 4.938 ( 9.427 -0.000 15.769) 18.372 5.135 ( -16.456 0.000 2.976) 16.723 5.245 ( 10.775 -0.000 -0.921) 10.814 5.748 ( -27.962 0.000 8.340) 29.179 6.029 ( 8.524 -0.000 -5.647) 10.225 7.853 ( 1.077 -0.000 -4.052) 4.193 7.930 ( -10.242 0.000 -2.630) 10.575 7.954 ( -5.635 0.000 11.431) 12.744 8.586 ( -11.118 0.000 19.004) 22.017 8.628 ( 8.786 -0.000 6.856) 11.145 9.727 ( 2.331 -0.000 -16.529) 16.692 10.069 ( 0.411 -0.000 7.231) 7.242 10.511 ( 0.314 -0.000 18.098) 18.101 11.086 ( 1.994 -0.000 1.609) 2.562 11.812 ( 0.560 -0.000 -3.232) 3.280 12.595 ( -8.248 0.000 -2.315) 8.566 14.572 ( -2.069 0.000 -4.446) 4.903 16.761 ( 5.535 -0.000 -2.541) 6.090 16.812 ( 11.292 -0.000 -4.321) 12.091 ======================= Grid point 104 (40/200) ======================= q-point: ( 0.33 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 4.714 2.756 -1.625) 5.697 1.978 ( 10.148 -2.373 22.244) 24.564 2.312 ( 21.775 7.019 2.674) 23.034 2.821 ( 5.816 -4.595 1.182) 7.506 3.453 ( 0.931 0.315 10.207) 10.254 4.841 ( -19.257 -0.540 0.226) 19.266 5.113 ( 10.006 -0.991 11.006) 14.907 5.284 ( -26.236 0.295 14.893) 30.170 5.427 ( 10.063 -3.062 0.960) 10.563 6.169 ( 9.858 2.860 -3.601) 10.877 7.667 ( -13.621 -0.491 -1.699) 13.736 7.856 ( -7.046 -2.075 15.531) 17.180 7.994 ( 4.065 -4.787 -2.688) 6.831 8.440 ( -3.607 2.987 9.966) 11.012 8.754 ( 6.566 1.137 3.742) 7.642 9.740 ( 0.971 2.058 -15.909) 16.071 10.077 ( 0.478 -0.252 8.782) 8.799 10.458 ( 0.674 9.456 13.972) 16.884 11.174 ( 1.725 -7.453 1.440) 7.784 11.808 ( -0.378 0.551 -1.822) 1.941 12.511 ( -7.343 -7.505 -1.565) 10.615 14.436 ( -2.636 13.606 -5.400) 14.874 16.786 ( 6.178 7.395 -3.299) 10.185 17.111 ( 9.509 -13.497 -4.759) 17.182 ======================= Grid point 105 (41/200) ======================= q-point: (-0.56 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 3.346 8.558 -3.378) 9.790 2.127 ( 6.087 0.546 25.232) 25.962 2.512 ( 14.867 11.659 1.219) 18.933 2.858 ( -4.562 -1.001 -2.958) 5.528 3.458 ( 0.501 0.872 10.080) 10.130 4.503 ( -25.521 -5.533 -0.974) 26.132 4.905 ( -16.599 1.380 20.017) 26.041 5.312 ( 10.537 -2.468 4.119) 11.579 5.642 ( 9.299 -4.086 3.425) 10.719 6.288 ( 9.953 3.637 -1.975) 10.779 7.488 ( -11.053 -4.504 -1.580) 12.039 7.766 ( -8.940 -5.799 21.332) 23.845 8.117 ( 2.904 -5.034 -2.293) 6.247 8.406 ( 3.598 2.745 3.595) 5.780 8.815 ( 4.509 3.726 0.293) 5.856 9.716 ( -0.093 3.357 -15.499) 15.859 10.095 ( 0.800 -1.093 10.734) 10.819 10.334 ( -0.756 10.642 12.499) 16.433 11.272 ( -0.157 -5.760 0.962) 5.842 11.809 ( 0.487 -1.504 -0.161) 1.589 12.511 ( -6.758 -11.087 -0.458) 12.992 14.202 ( -2.480 18.013 -6.197) 19.210 16.783 ( 3.968 7.783 -3.475) 9.402 17.407 ( 8.513 -10.872 -5.843) 14.994 ======================= Grid point 106 (42/200) ======================= q-point: (-0.44 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 3.057 14.035 -4.243) 14.977 2.130 ( 0.129 10.819 26.969) 29.058 2.474 ( -5.782 6.664 -2.596) 9.197 2.795 ( 6.643 10.837 -1.798) 12.837 3.451 ( 0.287 1.161 10.658) 10.725 4.170 ( -24.755 -10.445 2.343) 26.970 4.695 ( -8.025 0.532 19.603) 21.189 5.495 ( 6.081 -3.132 -3.293) 7.592 5.788 ( 6.201 0.687 7.260) 9.572 6.438 ( 10.571 -0.453 -1.967) 10.762 7.419 ( -7.178 -9.048 -1.256) 11.618 7.712 ( -8.505 -9.991 24.818) 28.073 8.186 ( 0.440 -1.767 -0.517) 1.893 8.483 ( 7.008 0.617 -1.046) 7.112 8.834 ( 3.999 3.703 0.681) 5.493 9.652 ( -1.271 5.776 -15.568) 16.654 10.133 ( 1.239 -2.409 12.762) 13.047 10.200 ( -1.399 8.144 12.223) 14.755 11.310 ( -0.906 -3.231 0.345) 3.374 11.862 ( 1.416 -4.252 1.758) 4.814 12.523 ( -7.726 -10.229 1.190) 12.874 13.943 ( -1.879 19.306 -6.682) 20.515 16.730 ( 1.521 8.607 -3.397) 9.377 17.644 ( 7.555 -6.846 -7.445) 12.624 ======================= Grid point 107 (43/200) ======================= q-point: (-0.33 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 4.859 18.483 -2.459) 19.268 1.835 ( -10.703 20.810 11.718) 26.171 2.280 ( -5.922 9.126 17.792) 20.855 2.782 ( 9.526 16.616 -9.427) 21.347 3.446 ( 0.850 1.570 12.043) 12.175 3.975 ( -15.498 -14.698 3.800) 21.694 4.615 ( -2.844 -1.878 19.186) 19.487 5.546 ( -2.112 -0.774 -6.676) 7.045 5.870 ( 6.132 2.637 10.477) 12.423 6.620 ( 7.362 -3.652 -4.735) 9.484 7.448 ( -3.894 -10.489 -0.920) 11.226 7.731 ( -5.555 -13.281 27.787) 31.295 8.190 ( -0.225 0.498 0.601) 0.813 8.563 ( 3.653 2.660 -5.246) 6.924 8.898 ( 4.947 -2.914 8.162) 9.979 9.541 ( -1.760 8.135 -15.172) 17.305 10.095 ( -1.171 4.750 9.487) 10.674 10.204 ( 1.899 -3.909 17.190) 17.731 11.344 ( 0.408 -3.970 -1.129) 4.147 11.949 ( 2.084 -6.106 6.090) 8.872 12.477 ( -9.377 -5.301 2.328) 11.020 13.693 ( -0.580 19.300 -6.593) 20.404 16.637 ( -0.075 8.665 -3.196) 9.236 17.816 ( 5.704 -3.457 -10.330) 12.296 ======================= Grid point 108 (44/200) ======================= q-point: (-0.22 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 20.080 1.142) 20.113 1.410 ( 0.000 24.706 7.065) 25.697 2.056 ( 0.000 18.924 30.240) 35.673 2.667 ( 0.000 18.126 -19.341) 26.507 3.431 ( 0.000 2.080 12.625) 12.796 4.033 ( -0.000 -16.253 3.515) 16.629 4.634 ( -0.000 -4.487 19.942) 20.440 5.511 ( 0.000 0.716 -4.161) 4.222 5.897 ( 0.000 2.331 9.045) 9.340 6.733 ( -0.000 -3.743 -7.971) 8.806 7.525 ( -0.000 -8.286 -0.506) 8.302 7.854 ( -0.000 -14.945 28.676) 32.337 8.175 ( 0.000 1.479 0.962) 1.765 8.545 ( 0.000 4.472 -4.671) 6.466 9.037 ( -0.000 -11.840 17.414) 21.058 9.425 ( 0.000 8.102 -14.648) 16.739 10.041 ( 0.000 2.846 8.180) 8.661 10.283 ( -0.000 -6.096 21.006) 21.873 11.415 ( -0.000 -6.452 -2.611) 6.960 12.095 ( -0.000 -12.407 14.969) 19.443 12.364 ( 0.000 3.613 0.765) 3.694 13.467 ( 0.000 18.615 -5.870) 19.519 16.538 ( 0.000 7.331 -3.038) 7.935 17.892 ( 0.000 0.492 -15.109) 15.117 ======================= Grid point 113 (45/200) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 7.060 -0.000 -5.120) 8.722 2.109 ( 7.172 -0.000 23.018) 24.109 2.698 ( 18.958 -0.000 -0.259) 18.960 2.802 ( -4.671 0.000 1.205) 4.823 3.470 ( 0.826 -0.000 9.640) 9.675 4.431 ( -28.479 0.000 -1.989) 28.549 4.927 ( -16.454 0.000 21.141) 26.790 5.275 ( 9.703 -0.000 2.927) 10.135 5.590 ( 12.057 -0.000 6.803) 13.844 6.337 ( 7.950 -0.000 -2.914) 8.467 7.433 ( -13.307 0.000 -1.776) 13.425 7.698 ( -9.616 0.000 21.554) 23.601 8.049 ( 4.831 -0.000 -3.367) 5.889 8.444 ( 2.113 -0.000 3.035) 3.698 8.862 ( 5.092 -0.000 0.435) 5.111 9.751 ( -0.578 0.000 -14.866) 14.877 10.082 ( 0.314 -0.000 10.081) 10.086 10.502 ( -2.759 0.000 11.149) 11.485 11.168 ( 2.807 -0.000 0.473) 2.847 11.795 ( -1.442 0.000 -0.175) 1.453 12.376 ( -3.701 0.000 -0.018) 3.701 14.431 ( -6.096 0.000 -6.916) 9.219 16.950 ( 5.407 -0.000 -3.233) 6.300 17.189 ( 10.705 -0.000 -5.291) 11.941 ======================= Grid point 114 (46/200) ======================= q-point: (-0.56 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 6.948 8.288 -7.033) 12.901 2.216 ( 4.791 -1.341 23.796) 24.311 2.638 ( -10.273 5.135 -0.020) 11.485 2.956 ( 13.444 3.147 -1.117) 13.853 3.476 ( 0.340 0.838 9.474) 9.517 3.977 ( -27.842 -4.962 1.569) 28.324 4.716 ( -9.028 0.820 21.444) 23.281 5.433 ( 7.619 -1.682 -4.235) 8.877 5.793 ( 11.226 -0.062 10.767) 15.555 6.440 ( 5.528 0.313 -2.314) 6.001 7.257 ( -9.951 -3.870 -1.503) 10.782 7.556 ( -9.444 -3.252 23.983) 25.980 8.131 ( 3.276 -1.705 -2.052) 4.226 8.506 ( 5.605 0.824 -0.794) 5.720 8.916 ( 3.122 2.181 -2.801) 4.727 9.730 ( -1.007 1.305 -15.169) 15.258 10.092 ( 0.414 -0.932 12.087) 12.130 10.394 ( -4.581 5.957 10.189) 12.661 11.231 ( 1.726 -2.651 -0.486) 3.201 11.778 ( -1.429 -1.950 2.090) 3.196 12.365 ( -1.121 -3.451 1.223) 3.829 14.279 ( -5.658 7.857 -7.779) 12.420 16.962 ( 4.100 9.492 -3.527) 10.924 17.419 ( 7.876 -9.838 -5.884) 13.908 ======================= Grid point 115 (47/200) ======================= q-point: (-0.44 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 6.040 13.612 -6.163) 16.117 2.247 ( -1.321 10.426 19.713) 22.340 2.380 ( -7.985 3.260 2.873) 9.091 3.091 ( 10.949 8.213 -2.576) 13.927 3.466 ( -0.125 0.177 9.543) 9.545 3.671 ( -19.212 -9.799 5.163) 22.176 4.601 ( -3.995 0.440 20.645) 21.032 5.533 ( 2.334 -0.382 -8.006) 8.348 5.933 ( 6.986 2.397 12.390) 14.425 6.535 ( 4.018 -3.083 -2.606) 5.696 7.209 ( -4.780 -8.598 -1.348) 9.929 7.482 ( -6.243 -7.135 26.520) 28.163 8.183 ( 1.010 -0.842 -0.720) 1.499 8.591 ( 4.730 0.458 -3.623) 5.976 8.925 ( 2.034 2.851 -2.978) 4.598 9.684 ( -1.183 3.605 -16.173) 16.612 10.122 ( 0.904 -2.363 14.450) 14.669 10.249 ( -3.211 6.586 10.365) 12.693 11.274 ( 0.485 -1.897 -1.677) 2.578 11.801 ( -0.983 -5.124 4.755) 7.059 12.391 ( -0.801 -2.793 1.877) 3.459 14.084 ( -2.998 12.455 -8.101) 15.157 16.882 ( 1.728 11.595 -3.465) 12.224 17.643 ( 4.418 -10.094 -7.024) 13.067 ======================= Grid point 116 (48/200) ======================= q-point: (-0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.000 15.704 -3.950) 16.193 1.959 ( 0.000 21.176 3.987) 21.548 2.324 ( 0.000 4.085 20.586) 20.987 3.056 ( 0.000 14.782 -7.763) 16.697 3.481 ( 0.000 1.649 12.156) 12.267 3.636 ( -0.000 -16.620 5.328) 17.453 4.572 ( -0.000 -0.893 19.629) 19.650 5.536 ( 0.000 1.288 -7.513) 7.622 5.960 ( 0.000 2.977 11.905) 12.271 6.624 ( -0.000 -5.004 -4.142) 6.496 7.289 ( -0.000 -10.687 -1.376) 10.775 7.535 ( -0.000 -10.865 28.974) 30.944 8.192 ( 0.000 0.061 -0.026) 0.067 8.622 ( 0.000 1.456 -5.639) 5.824 8.924 ( 0.000 0.494 1.545) 1.622 9.611 ( 0.000 6.420 -16.390) 17.603 10.146 ( 0.000 5.908 9.607) 11.278 10.172 ( -0.000 -3.771 16.906) 17.321 11.304 ( -0.000 -2.915 -2.519) 3.852 11.867 ( -0.000 -7.503 7.478) 10.593 12.399 ( -0.000 -0.455 1.534) 1.600 13.892 ( 0.000 15.979 -7.679) 17.728 16.758 ( 0.000 11.153 -3.275) 11.624 17.790 ( -0.000 -8.093 -8.679) 11.867 ======================= Grid point 123 (49/200) ======================= q-point: ( 0.44 -0.56 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 6.434 -0.000 -12.149) 13.747 2.257 ( 2.287 -0.000 24.726) 24.831 2.510 ( -8.027 0.000 1.070) 8.098 3.159 ( 8.103 -0.000 0.889) 8.151 3.488 ( 0.234 -0.000 9.295) 9.298 3.542 ( -19.232 0.000 2.669) 19.416 4.612 ( -4.263 0.000 22.289) 22.693 5.528 ( 4.506 -0.000 -8.403) 9.535 5.965 ( 8.086 -0.000 13.067) 15.366 6.496 ( 1.918 -0.000 -2.270) 2.972 7.097 ( -5.836 0.000 -1.257) 5.970 7.399 ( -6.544 0.000 25.197) 26.032 8.170 ( 2.089 -0.000 -1.229) 2.423 8.597 ( 4.425 -0.000 -3.153) 5.434 8.965 ( 1.379 -0.000 -5.840) 6.000 9.723 ( -0.754 0.000 -15.531) 15.550 10.092 ( 0.411 -0.000 14.317) 14.323 10.341 ( -4.788 0.000 8.860) 10.071 11.252 ( 1.779 -0.000 -2.046) 2.711 11.738 ( -1.445 0.000 4.476) 4.704 12.353 ( 0.936 -0.000 2.308) 2.491 14.237 ( -4.136 0.000 -8.706) 9.638 17.084 ( 2.286 -0.000 -3.698) 4.348 17.457 ( 4.607 -0.000 -6.007) 7.571 ======================= Grid point 125 (50/200) ======================= q-point: (-0.44 0.44 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 0.000 9.208 -8.300) 12.397 2.310 ( -0.000 -3.661 20.306) 20.633 2.366 ( 0.000 11.379 1.152) 11.437 3.299 ( -0.000 -9.916 7.867) 12.657 3.322 ( 0.000 6.724 -3.507) 7.584 3.494 ( -0.000 -0.440 9.707) 9.717 4.574 ( 0.000 0.465 22.013) 22.017 5.562 ( 0.000 0.697 -9.395) 9.421 6.024 ( 0.000 1.876 13.196) 13.329 6.526 ( -0.000 -2.563 -2.382) 3.499 7.081 ( -0.000 -5.414 -1.220) 5.550 7.362 ( -0.000 -3.659 26.279) 26.532 8.188 ( -0.000 -0.178 -0.717) 0.739 8.636 ( 0.000 0.195 -4.230) 4.235 8.967 ( 0.000 1.588 -6.032) 6.237 9.706 ( 0.000 1.767 -16.056) 16.153 10.106 ( -0.000 -1.569 15.915) 15.992 10.275 ( 0.000 3.599 8.491) 9.222 11.270 ( -0.000 -0.397 -2.715) 2.743 11.742 ( -0.000 -2.831 5.707) 6.370 12.370 ( -0.000 -1.176 2.508) 2.770 14.164 ( 0.000 6.181 -8.848) 10.793 17.033 ( 0.000 10.190 -3.683) 10.836 17.561 ( -0.000 -9.273 -6.384) 11.259 ======================= Grid point 166 (51/200) ======================= q-point: ( 0.00 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.000 0.000 27.126) 27.126 1.191 ( 0.000 0.000 27.606) 27.606 1.503 ( 0.000 0.000 3.705) 3.705 2.309 ( 0.000 0.000 54.099) 54.099 3.732 ( 0.000 0.000 20.248) 20.248 4.546 ( 0.000 0.000 3.034) 3.034 5.281 ( 0.000 0.000 23.477) 23.477 5.514 ( 0.000 0.000 0.812) 0.812 5.949 ( 0.000 0.000 7.109) 7.109 6.597 ( 0.000 0.000 -9.819) 9.819 7.842 ( 0.000 0.000 11.222) 11.222 8.073 ( 0.000 0.000 -2.848) 2.848 8.332 ( 0.000 0.000 6.531) 6.531 8.462 ( 0.000 0.000 -0.759) 0.759 8.896 ( 0.000 0.000 -19.998) 19.998 9.976 ( 0.000 0.000 6.803) 6.803 10.122 ( 0.000 0.000 6.416) 6.416 11.113 ( 0.000 0.000 4.955) 4.955 11.592 ( 0.000 0.000 -8.364) 8.364 12.171 ( 0.000 0.000 2.317) 2.317 12.832 ( 0.000 0.000 -5.885) 5.885 14.433 ( 0.000 0.000 3.361) 3.361 16.292 ( 0.000 0.000 -5.075) 5.075 16.505 ( 0.000 0.000 -3.217) 3.217 ======================= Grid point 167 (52/200) ======================= q-point: ( 0.11 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 14.346 -4.974 22.874) 27.455 1.286 ( 10.962 -3.164 20.922) 23.831 1.599 ( 0.645 -13.888 3.074) 14.239 2.422 ( 6.784 -8.029 50.195) 51.284 3.730 ( -0.218 0.004 19.807) 19.808 4.594 ( 9.100 4.844 3.340) 10.837 5.227 ( -3.070 1.799 23.362) 23.631 5.568 ( 5.904 1.960 0.042) 6.221 5.901 ( -7.142 -2.379 7.095) 10.344 6.572 ( -3.091 0.598 -7.518) 8.150 7.789 ( -1.893 2.903 7.241) 8.027 8.085 ( -1.283 -1.608 -0.895) 2.243 8.357 ( -1.743 -1.269 -2.312) 3.162 8.450 ( 2.460 1.277 8.044) 8.508 8.931 ( 2.802 -2.234 -19.191) 19.523 9.898 ( -4.438 7.307 8.371) 11.965 10.141 ( 1.806 -0.576 6.996) 7.248 11.066 ( -1.698 7.281 7.997) 10.947 11.562 ( -0.888 6.153 -5.707) 8.439 11.971 ( -22.444 -7.535 10.919) 26.072 12.844 ( -2.677 -5.980 -6.168) 8.998 14.157 ( 8.200 44.619 9.352) 46.320 16.319 ( 2.491 -1.060 -5.276) 5.930 16.737 ( -1.056 -30.077 -10.331) 31.819 ======================= Grid point 168 (53/200) ======================= q-point: ( 0.22 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 13.492 2.777 15.696) 20.883 1.660 ( 15.492 -12.689 10.609) 22.662 1.825 ( 3.562 -19.936 5.661) 21.028 2.661 ( 8.601 -8.015 40.841) 42.499 3.725 ( -0.231 0.133 18.654) 18.656 4.727 ( 15.330 7.230 3.606) 17.328 5.186 ( 1.051 1.194 23.917) 23.970 5.606 ( 1.358 4.379 -1.760) 4.911 5.803 ( -7.542 -4.382 6.717) 11.009 6.461 ( -9.217 1.547 -1.337) 9.441 7.759 ( 1.644 1.961 0.797) 2.680 8.056 ( -3.488 -0.763 1.473) 3.862 8.271 ( -7.606 -1.008 -6.061) 9.778 8.521 ( 6.038 2.065 9.596) 11.524 9.039 ( 4.638 -4.903 -16.241) 17.587 9.651 ( -9.422 14.638 14.552) 22.689 10.191 ( 2.791 -1.343 8.527) 9.072 10.852 ( -7.371 13.412 18.589) 24.078 11.440 ( -4.318 1.274 4.066) 6.067 11.826 ( -8.996 -9.777 4.102) 13.905 12.888 ( -4.680 -11.970 -6.997) 14.633 13.826 ( 12.998 40.575 5.826) 43.003 16.390 ( 3.553 -1.890 -5.811) 7.068 17.030 ( -3.282 -24.165 -12.586) 27.443 ======================= Grid point 169 (54/200) ======================= q-point: ( 0.33 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 12.082 3.638 7.195) 14.525 1.920 ( -0.582 -13.728 8.544) 16.181 2.233 ( 15.217 -16.536 11.762) 25.365 2.843 ( 5.319 -2.028 27.905) 28.480 3.720 ( -0.103 0.200 17.299) 17.301 4.902 ( 14.892 7.326 3.022) 16.869 5.257 ( 7.957 -1.694 22.892) 24.295 5.492 ( -8.580 1.667 2.623) 9.126 5.790 ( 0.522 -0.891 2.494) 2.700 6.237 ( -15.051 1.457 5.600) 16.125 7.763 ( 3.079 5.468 -3.157) 7.024 8.004 ( -6.326 -4.388 -0.496) 7.715 8.189 ( -3.438 -2.458 -3.616) 5.562 8.582 ( 4.882 2.363 7.172) 8.992 9.164 ( 0.211 -5.713 -8.115) 9.927 9.299 ( -6.932 16.565 15.747) 23.884 10.261 ( 2.869 -2.529 10.600) 11.269 10.611 ( -4.999 8.780 20.145) 22.537 11.412 ( -0.504 -1.632 4.250) 4.580 11.815 ( -3.808 -4.657 0.828) 6.073 12.972 ( -5.545 -16.290 -8.190) 19.058 13.605 ( 11.034 31.172 0.222) 33.068 16.468 ( 2.976 -1.691 -6.387) 7.247 17.204 ( -2.634 -14.114 -11.517) 18.406 ======================= Grid point 170 (55/200) ======================= q-point: ( 0.44 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 5.234 1.789 1.754) 5.803 2.014 ( -1.471 -5.674 11.934) 13.296 2.608 ( 8.597 -10.454 25.447) 28.822 2.870 ( -0.231 3.806 7.368) 8.296 3.718 ( 0.008 0.061 16.408) 16.408 5.012 ( 6.254 3.908 2.400) 7.755 5.350 ( -5.421 -0.286 7.183) 9.004 5.483 ( 12.261 -4.137 16.431) 20.915 5.775 ( -2.292 4.531 7.179) 8.793 5.985 ( -11.221 -1.139 6.927) 13.236 7.735 ( 1.116 3.718 -2.114) 4.420 7.958 ( -3.629 -2.537 -6.294) 7.696 8.203 ( 0.082 -2.095 -0.004) 2.097 8.645 ( 3.763 -0.683 2.881) 4.788 8.981 ( -7.020 6.874 28.356) 30.011 9.271 ( 2.173 -0.461 -14.908) 15.073 10.343 ( 2.373 -3.506 11.918) 12.648 10.468 ( -2.637 5.200 18.753) 19.638 11.432 ( 0.388 -0.856 3.560) 3.682 11.804 ( -1.428 -1.171 0.863) 2.038 13.069 ( -3.566 -11.138 -9.235) 14.901 13.457 ( 5.396 15.609 -2.649) 16.727 16.518 ( 1.143 -0.668 -6.749) 6.878 17.284 ( -0.925 -4.624 -10.790) 11.776 ======================= Grid point 176 (56/200) ======================= q-point: ( 0.11 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 21.698 -0.000 16.866) 27.482 1.480 ( 15.468 -0.000 18.215) 23.897 1.547 ( 2.400 -0.000 4.299) 4.924 2.543 ( 12.573 -0.000 45.308) 47.020 3.728 ( -0.022 0.000 19.142) 19.142 4.818 ( 13.917 -0.000 2.942) 14.224 5.204 ( -0.167 0.000 23.254) 23.254 5.686 ( 6.307 -0.000 -1.581) 6.503 5.722 ( -12.268 0.000 5.958) 13.638 6.481 ( -8.898 0.000 -1.652) 9.050 7.752 ( -2.187 0.000 5.244) 5.682 8.076 ( -0.344 0.000 -2.401) 2.425 8.251 ( -9.329 0.000 -5.856) 11.014 8.552 ( 7.625 -0.000 11.826) 14.071 8.975 ( 3.938 -0.000 -17.312) 17.755 9.827 ( -9.520 0.000 10.673) 14.301 10.177 ( 2.842 -0.000 8.276) 8.750 11.108 ( -0.013 0.000 4.133) 4.134 11.437 ( -27.398 0.000 27.750) 38.996 11.642 ( 2.523 -0.000 -7.553) 7.963 12.742 ( -5.190 0.000 -5.734) 7.734 14.499 ( 0.942 -0.000 -3.353) 3.483 16.397 ( 6.423 -0.000 -5.994) 8.786 16.554 ( 2.919 -0.000 -3.591) 4.628 ======================= Grid point 177 (57/200) ======================= q-point: ( 0.22 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 2.253 -3.822 0.272) 4.445 1.731 ( 17.667 2.414 15.874) 23.874 1.894 ( 19.741 -10.260 13.464) 26.005 2.776 ( 11.746 -2.452 35.246) 37.233 3.727 ( 0.058 0.264 18.099) 18.101 5.031 ( 13.126 3.028 2.257) 13.659 5.240 ( 5.052 -0.032 23.068) 23.615 5.495 ( -14.655 -0.614 5.082) 15.524 5.791 ( 6.558 0.482 -2.347) 6.982 6.271 ( -15.544 0.996 6.115) 16.734 7.762 ( 1.421 -2.847 -0.013) 3.182 8.016 ( -6.581 4.220 -2.282) 8.144 8.113 ( -6.335 -3.702 -4.022) 8.368 8.661 ( 6.778 2.703 9.474) 11.958 9.047 ( 1.360 -3.295 -9.385) 10.040 9.599 ( -11.419 7.030 12.222) 18.144 10.229 ( 2.900 -0.507 10.140) 10.558 10.906 ( -7.363 15.668 18.820) 25.571 11.265 ( -5.928 -11.908 10.954) 17.232 11.703 ( 1.598 -2.951 -5.150) 6.147 12.680 ( -6.736 -6.604 -5.803) 11.075 14.343 ( 1.626 23.495 -4.162) 23.916 16.475 ( 6.388 3.307 -5.957) 9.340 16.766 ( 3.633 -19.000 -6.869) 20.527 ======================= Grid point 178 (58/200) ======================= q-point: ( 0.33 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -0.610 -2.823 0.410) 2.917 1.983 ( 16.288 3.314 11.866) 20.422 2.328 ( 15.820 -11.710 14.568) 24.487 2.932 ( 4.963 1.145 22.648) 23.213 3.724 ( 0.045 0.375 16.913) 16.917 5.109 ( -1.642 4.162 2.725) 5.239 5.302 ( -7.931 -3.504 6.218) 10.670 5.400 ( 12.161 -2.423 17.929) 21.800 5.881 ( 2.881 4.064 1.570) 5.223 5.982 ( -12.901 0.352 10.766) 16.807 7.818 ( -8.689 2.815 -2.815) 9.558 7.850 ( 1.257 -5.213 -4.087) 6.742 8.109 ( -0.725 -4.067 -0.996) 4.249 8.709 ( 4.759 4.522 6.693) 9.375 9.028 ( -9.654 -2.176 13.216) 16.510 9.385 ( -1.094 7.566 -3.992) 8.624 10.285 ( 2.632 -1.340 12.214) 12.566 10.665 ( -2.979 11.233 17.719) 21.190 11.333 ( -1.363 -8.168 5.430) 9.903 11.754 ( 0.896 -2.129 -2.183) 3.178 12.683 ( -7.051 -13.196 -6.227) 16.206 14.075 ( 2.414 26.430 -5.652) 27.136 16.535 ( 4.739 2.582 -6.366) 8.346 17.036 ( 3.880 -15.114 -8.904) 17.966 ======================= Grid point 179 (59/200) ======================= q-point: ( 0.44 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -4.335 -0.374 1.796) 4.707 2.174 ( 13.583 6.856 8.222) 17.295 2.657 ( 9.653 -6.916 24.693) 27.399 2.889 ( -4.806 6.157 7.410) 10.766 3.721 ( 0.100 0.298 16.184) 16.187 4.929 ( -15.243 -3.013 2.751) 15.780 5.320 ( 2.812 -2.434 4.471) 5.816 5.574 ( -7.965 3.058 17.641) 19.596 5.684 ( 2.541 -2.774 15.150) 15.610 6.042 ( 11.054 3.289 1.648) 11.650 7.657 ( -9.214 -2.730 -2.887) 10.035 7.953 ( 4.810 -2.521 -5.014) 7.391 8.165 ( 0.629 -4.200 0.297) 4.257 8.731 ( 3.020 4.315 1.561) 5.493 8.849 ( -9.735 -2.164 27.293) 29.058 9.343 ( 1.627 4.230 -13.696) 14.427 10.348 ( 2.252 -2.221 13.224) 13.597 10.516 ( -1.372 8.236 16.497) 18.489 11.391 ( -1.328 -4.668 3.209) 5.818 11.794 ( 2.026 -1.444 0.658) 2.573 12.754 ( -7.106 -18.158 -5.710) 20.318 13.806 ( 1.538 24.588 -7.313) 25.699 16.561 ( 2.518 3.245 -6.581) 7.758 17.241 ( 4.569 -7.748 -10.208) 13.606 ======================= Grid point 180 (60/200) ======================= q-point: (-0.44 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -6.867 2.007 4.282) 8.338 2.248 ( 8.099 12.691 4.377) 15.679 2.601 ( -10.378 13.919 15.041) 22.971 2.840 ( 2.080 -2.433 19.374) 19.636 3.721 ( 0.224 0.191 16.299) 16.301 4.714 ( -18.759 -8.101 3.901) 20.803 5.318 ( -11.087 3.163 24.543) 27.116 5.417 ( 3.403 -4.054 -0.268) 5.300 5.825 ( 7.360 1.441 9.294) 11.942 6.224 ( 13.186 0.625 3.111) 13.562 7.590 ( -6.518 -7.677 -3.146) 10.550 8.070 ( 6.671 -0.817 -2.973) 7.350 8.201 ( -0.284 -1.277 0.455) 1.385 8.619 ( -4.817 4.914 7.617) 10.265 8.921 ( 3.479 -12.710 19.624) 23.638 9.297 ( -0.825 5.016 -14.000) 14.894 10.350 ( -2.369 4.004 9.613) 10.680 10.482 ( 3.767 -1.624 20.402) 20.810 11.398 ( -2.418 -2.457 2.037) 4.004 11.864 ( 5.025 -0.530 2.667) 5.713 12.862 ( -8.383 -21.210 -2.952) 22.997 13.547 ( 0.037 21.321 -8.104) 22.809 16.539 ( 0.269 4.374 -6.447) 7.795 17.369 ( 5.377 0.040 -11.781) 12.951 ======================= Grid point 181 (61/200) ======================= q-point: (-0.33 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -6.569 3.802 8.196) 11.170 2.033 ( -13.508 17.352 7.111) 23.111 2.314 ( 1.750 19.223 1.969) 19.402 2.830 ( -1.286 5.192 34.088) 34.505 3.727 ( 0.756 0.188 17.383) 17.401 4.510 ( -18.290 -10.386 5.464) 21.731 5.169 ( -4.441 0.097 25.907) 26.285 5.497 ( -0.783 -4.585 -3.627) 5.898 5.912 ( 8.389 4.613 9.694) 13.625 6.423 ( 9.416 -1.330 -0.808) 9.544 7.605 ( -4.699 -9.579 -2.906) 11.058 8.141 ( 3.320 4.086 3.940) 6.576 8.247 ( 3.850 -3.739 -3.560) 6.440 8.513 ( -3.240 2.337 7.763) 8.731 9.137 ( -1.287 -4.492 -6.383) 7.911 9.256 ( 4.114 -8.512 9.164) 13.166 10.251 ( -2.909 3.894 8.565) 9.848 10.617 ( 6.202 -6.530 21.647) 23.445 11.388 ( -2.061 -2.915 0.163) 3.574 11.972 ( 9.288 2.022 5.343) 10.904 12.966 ( -11.814 -24.438 2.962) 27.305 13.309 ( -1.232 16.947 -7.841) 18.714 16.473 ( -1.254 5.082 -6.038) 7.991 17.415 ( 5.838 7.990 -14.379) 17.455 ======================= Grid point 182 (62/200) ======================= q-point: (-0.22 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -2.792 5.116 13.837) 15.015 1.557 ( -15.878 17.329 12.570) 26.653 2.100 ( 2.176 24.138 -2.682) 24.384 2.689 ( -2.750 11.829 43.094) 44.773 3.736 ( 0.762 0.635 19.060) 19.086 4.391 ( -10.914 -11.450 5.226) 16.659 5.159 ( 0.449 -3.277 25.442) 25.656 5.499 ( -3.809 -3.272 -2.144) 5.460 5.990 ( 6.769 4.575 9.398) 12.453 6.548 ( 3.766 -1.276 -6.770) 7.851 7.649 ( -2.730 -8.626 -0.193) 9.050 8.151 ( 3.522 3.105 3.748) 6.008 8.358 ( 3.055 -3.856 -1.181) 5.059 8.437 ( -2.715 2.706 7.278) 8.225 9.034 ( -3.156 6.109 -17.545) 18.844 9.558 ( 4.412 -20.029 14.105) 24.891 10.174 ( -1.870 2.383 7.131) 7.748 10.825 ( 5.563 -10.264 20.410) 23.513 11.416 ( -0.446 -5.633 -3.745) 6.779 12.139 ( 15.584 4.563 6.954) 17.664 13.064 ( -12.198 -27.075 12.375) 32.172 13.116 ( -4.554 5.906 -3.792) 8.367 16.389 ( -1.386 4.761 -5.560) 7.450 17.359 ( 4.534 17.156 -18.252) 25.457 ======================= Grid point 183 (63/200) ======================= q-point: (-0.11 0.11 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.000 15.690 21.558) 26.663 1.213 ( 0.000 2.728 18.363) 18.564 1.828 ( 0.000 23.427 -1.349) 23.466 2.503 ( 0.000 13.542 48.833) 50.676 3.735 ( 0.000 0.437 19.975) 19.980 4.427 ( -0.000 -9.509 4.078) 10.346 5.223 ( -0.000 -4.343 24.818) 25.195 5.486 ( -0.000 -1.983 -0.474) 2.039 6.000 ( 0.000 3.811 8.570) 9.379 6.587 ( -0.000 -0.767 -9.796) 9.826 7.727 ( -0.000 -7.852 3.817) 8.730 8.149 ( 0.000 3.951 1.922) 4.394 8.371 ( 0.000 2.552 9.652) 9.984 8.425 ( -0.000 -2.559 -2.562) 3.621 8.943 ( 0.000 4.205 -19.145) 19.601 9.805 ( -0.000 -14.670 9.400) 17.423 10.136 ( 0.000 1.304 6.466) 6.596 10.989 ( -0.000 -9.212 13.655) 16.472 11.493 ( -0.000 -6.806 -6.901) 9.693 12.258 ( 0.000 5.723 1.078) 5.824 12.966 ( 0.000 10.869 -7.119) 12.993 13.420 ( -0.000 -53.492 29.083) 60.887 16.327 ( 0.000 3.355 -5.277) 6.253 17.130 ( 0.000 28.574 -19.503) 34.596 ======================= Grid point 186 (64/200) ======================= q-point: ( 0.22 0.22 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 2.427 -0.000 0.584) 2.497 2.087 ( 19.620 -0.000 8.192) 21.262 2.127 ( 16.961 -0.000 13.788) 21.858 2.940 ( 8.257 -0.000 27.923) 29.119 3.730 ( -0.006 0.000 17.228) 17.228 5.204 ( 5.391 -0.000 3.423) 6.386 5.210 ( -18.650 0.000 4.251) 19.128 5.373 ( 11.437 -0.000 19.682) 22.764 5.939 ( 10.343 -0.000 -2.824) 10.722 5.984 ( -19.113 0.000 14.396) 23.928 7.772 ( -0.105 0.000 -3.171) 3.173 7.860 ( -10.036 0.000 -4.108) 10.844 8.055 ( -0.256 0.000 0.460) 0.526 8.782 ( 5.191 -0.000 7.623) 9.223 8.981 ( -7.272 0.000 8.182) 10.947 9.488 ( -5.562 0.000 -0.817) 5.622 10.271 ( 2.518 -0.000 11.885) 12.149 10.907 ( -6.726 0.000 21.683) 22.703 11.124 ( 0.942 -0.000 1.734) 1.973 11.729 ( 2.535 -0.000 -4.392) 5.071 12.524 ( -7.015 0.000 -4.552) 8.362 14.442 ( -4.209 0.000 -8.333) 9.335 16.687 ( 10.426 -0.000 -7.853) 13.053 16.688 ( 4.947 -0.000 -4.595) 6.752 ======================= Grid point 187 (65/200) ======================= q-point: ( 0.33 0.22 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 1.240 0.703 -1.266) 1.906 2.320 ( 15.477 5.457 8.260) 18.373 2.470 ( 15.161 -7.247 10.928) 20.044 3.003 ( 0.183 2.620 20.532) 20.700 3.729 ( 0.104 0.224 16.350) 16.352 4.876 ( -21.829 -1.280 3.346) 22.121 5.266 ( 1.962 -1.493 2.864) 3.779 5.596 ( 13.017 -0.546 16.590) 21.094 5.670 ( -16.179 0.831 21.818) 27.174 6.111 ( 11.149 1.859 -1.595) 11.415 7.609 ( -13.319 -1.190 -3.799) 13.901 7.887 ( 4.979 -1.972 -4.180) 6.794 8.074 ( 0.817 -2.453 2.972) 3.939 8.802 ( -4.653 2.040 15.376) 16.194 8.847 ( -4.072 0.134 9.734) 10.553 9.430 ( -0.509 2.285 -12.470) 12.688 10.314 ( 2.255 -0.682 13.390) 13.596 10.752 ( -2.915 9.885 15.441) 18.564 11.208 ( -0.183 -9.030 1.869) 9.223 11.771 ( 2.248 -0.314 -1.289) 2.610 12.459 ( -5.417 -6.367 -3.654) 9.124 14.280 ( -4.958 12.246 -9.920) 16.521 16.690 ( 6.113 8.002 -6.089) 11.768 16.976 ( 8.427 -12.681 -8.414) 17.396 ======================= Grid point 188 (66/200) ======================= q-point: (-0.56 0.22 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -0.405 4.637 -1.954) 5.048 2.474 ( 10.534 5.906 4.889) 13.028 2.751 ( 9.564 -3.975 9.065) 13.765 2.874 ( -6.388 8.735 20.916) 23.549 3.727 ( 0.132 0.381 15.820) 15.825 4.541 ( -23.345 -6.063 4.488) 24.534 5.327 ( 1.923 -3.012 0.015) 3.574 5.392 ( -11.911 2.673 25.911) 28.642 5.841 ( 12.836 -0.024 14.217) 19.154 6.261 ( 10.122 1.996 -0.089) 10.318 7.439 ( -10.868 -4.683 -3.205) 12.260 8.003 ( 5.062 -3.090 -2.508) 6.439 8.133 ( 0.983 -4.208 4.785) 6.447 8.667 ( -8.078 -1.380 22.258) 23.719 8.819 ( 1.574 2.855 0.548) 3.306 9.393 ( -0.763 2.919 -15.653) 15.941 10.361 ( 1.776 -1.299 13.511) 13.689 10.597 ( -1.973 8.800 14.444) 17.028 11.288 ( -2.079 -6.873 0.583) 7.204 11.824 ( 3.297 -1.766 2.173) 4.325 12.485 ( -4.059 -10.315 -2.383) 11.338 14.026 ( -4.599 16.507 -11.029) 20.378 16.683 ( 4.014 7.921 -6.318) 10.898 17.242 ( 7.469 -9.576 -10.220) 15.872 ======================= Grid point 189 (67/200) ======================= q-point: (-0.44 0.22 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -0.407 8.182 -1.450) 8.320 2.408 ( -10.230 12.629 1.147) 16.293 2.680 ( 4.690 11.523 8.409) 15.016 2.903 ( 5.442 1.917 25.541) 26.185 3.727 ( 0.360 -0.116 15.827) 15.831 4.265 ( -21.031 -9.890 7.283) 24.354 5.198 ( -7.068 2.257 28.867) 29.805 5.401 ( 1.000 -3.351 -4.658) 5.825 6.008 ( 9.953 3.314 12.468) 16.294 6.404 ( 8.140 -0.297 -0.635) 8.170 7.373 ( -6.965 -9.065 -3.005) 11.820 8.120 ( 3.308 -4.843 4.044) 7.124 8.182 ( -0.047 -2.184 4.063) 4.613 8.577 ( -3.297 1.144 12.189) 12.679 8.870 ( 3.196 -6.112 5.526) 8.838 9.326 ( -2.233 4.293 -16.226) 16.932 10.358 ( -2.000 3.636 8.356) 9.330 10.534 ( 2.587 0.202 20.405) 20.569 11.304 ( -3.494 -4.309 -1.006) 5.638 11.932 ( 5.614 -4.241 5.463) 8.908 12.540 ( -5.449 -11.106 0.070) 12.371 13.754 ( -3.483 17.546 -11.651) 21.349 16.632 ( 1.702 8.488 -6.206) 10.652 17.440 ( 6.151 -4.792 -12.275) 14.542 ======================= Grid point 190 (68/200) ======================= q-point: (-0.33 0.22 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 1.610 10.039 -0.044) 10.167 1.991 ( -13.859 18.101 7.425) 23.976 2.615 ( 5.236 17.968 -2.183) 18.842 2.905 ( 1.238 6.361 34.460) 35.064 3.750 ( 1.969 -0.066 17.215) 17.327 4.098 ( -14.127 -12.396 8.551) 20.648 5.108 ( -2.462 -0.448 28.360) 28.470 5.430 ( -1.321 -2.378 -4.620) 5.361 6.100 ( 6.689 4.565 11.719) 14.245 6.517 ( 3.969 -1.328 -4.632) 6.243 7.409 ( -3.517 -10.992 -2.600) 11.830 8.192 ( 0.553 -0.096 4.290) 4.326 8.224 ( 0.855 -6.615 8.791) 11.034 8.522 ( -0.321 3.463 3.935) 5.252 9.061 ( 4.219 -13.740 7.874) 16.388 9.224 ( -3.210 4.106 -13.607) 14.571 10.261 ( -2.075 4.936 7.046) 8.850 10.636 ( 4.041 -5.881 22.947) 24.030 11.297 ( -2.787 -4.342 -3.496) 6.232 12.117 ( 9.449 -6.942 9.693) 15.214 12.539 ( -10.441 -9.948 3.707) 14.890 13.508 ( -1.328 17.188 -11.415) 20.676 16.545 ( 0.115 8.429 -5.872) 10.273 17.551 ( 3.980 0.587 -15.036) 15.565 ======================= Grid point 191 (69/200) ======================= q-point: (-0.22 0.22 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.000 9.281 2.920) 9.730 1.622 ( 0.000 20.047 13.769) 24.320 2.409 ( 0.000 23.309 -5.988) 24.066 2.810 ( 0.000 10.608 41.042) 42.391 3.760 ( 0.000 1.622 19.234) 19.302 4.136 ( -0.000 -14.248 6.680) 15.736 5.118 ( -0.000 -3.551 27.243) 27.473 5.437 ( -0.000 -1.916 -3.002) 3.561 6.105 ( 0.000 4.702 11.070) 12.027 6.564 ( -0.000 -1.188 -8.234) 8.319 7.507 ( -0.000 -10.515 -1.290) 10.594 8.202 ( 0.000 0.428 1.428) 1.491 8.305 ( -0.000 -5.990 12.250) 13.636 8.475 ( 0.000 4.225 0.575) 4.264 9.093 ( 0.000 7.804 -17.523) 19.183 9.342 ( -0.000 -21.378 13.709) 25.396 10.192 ( 0.000 3.609 6.641) 7.558 10.764 ( -0.000 -8.589 23.132) 24.675 11.334 ( -0.000 -5.974 -5.566) 8.165 12.380 ( 0.000 3.895 0.461) 3.922 12.487 ( -0.000 -26.129 21.664) 33.942 13.302 ( 0.000 16.331 -10.059) 19.181 16.450 ( 0.000 7.113 -5.572) 9.036 17.542 ( 0.000 7.461 -18.107) 19.584 ======================= Grid point 196 (70/200) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 2.420 -0.000 -5.553) 6.057 2.531 ( 6.559 -0.000 12.172) 13.827 2.703 ( 16.794 -0.000 0.955) 16.822 2.984 ( -4.435 0.000 21.302) 21.759 3.734 ( 0.362 -0.000 15.955) 15.959 4.461 ( -25.991 0.000 4.651) 26.404 5.289 ( 2.296 -0.000 -0.590) 2.371 5.427 ( -12.385 0.000 27.650) 30.297 5.838 ( 14.780 -0.000 15.813) 21.645 6.289 ( 8.735 -0.000 -1.276) 8.827 7.381 ( -12.701 0.000 -3.237) 13.107 7.965 ( 5.754 -0.000 -4.544) 7.332 8.067 ( -0.109 0.000 10.002) 10.003 8.653 ( -7.680 0.000 19.464) 20.924 8.865 ( -0.110 0.000 -0.312) 0.331 9.428 ( -1.088 0.000 -15.722) 15.759 10.344 ( 1.934 -0.000 14.116) 14.247 10.748 ( -5.247 0.000 13.954) 14.908 11.160 ( 1.014 -0.000 -1.847) 2.107 11.805 ( 2.018 -0.000 1.462) 2.491 12.365 ( -1.593 0.000 -1.383) 2.109 14.235 ( -7.908 0.000 -12.283) 14.608 16.858 ( 4.868 -0.000 -5.798) 7.571 17.036 ( 9.903 -0.000 -9.675) 13.845 ======================= Grid point 197 (71/200) ======================= q-point: (-0.56 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 2.392 4.630 -8.575) 10.035 2.566 ( -3.103 1.538 3.409) 4.859 2.878 ( -0.257 5.474 22.132) 22.800 2.951 ( 11.472 1.263 7.327) 13.670 3.734 ( -0.156 0.785 15.553) 15.574 4.070 ( -23.719 -5.572 7.756) 25.570 5.254 ( -7.234 1.818 30.225) 31.132 5.343 ( 2.504 -1.496 -3.945) 4.906 6.061 ( 12.197 1.104 14.374) 18.884 6.404 ( 5.689 0.118 -0.707) 5.734 7.214 ( -9.515 -3.741 -2.717) 10.579 8.043 ( 0.688 -1.032 10.521) 10.594 8.088 ( 1.648 -3.985 5.038) 6.632 8.578 ( -1.679 -0.019 12.178) 12.293 8.842 ( -1.221 0.726 -4.177) 4.412 9.396 ( -1.711 1.519 -17.084) 17.237 10.378 ( 1.604 -0.480 13.370) 13.474 10.623 ( -5.005 4.288 13.967) 15.443 11.197 ( -0.439 -3.629 -3.026) 4.745 11.847 ( 2.070 -2.014 4.622) 5.450 12.384 ( 0.784 -3.032 0.229) 3.140 14.059 ( -7.221 7.095 -13.629) 16.977 16.860 ( 3.873 9.461 -6.444) 12.085 17.252 ( 7.100 -9.078 -10.482) 15.579 ======================= Grid point 198 (72/200) ======================= q-point: (-0.44 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 2.531 8.340 -9.618) 12.979 2.359 ( -9.732 11.836 2.879) 15.592 2.867 ( 4.035 3.470 25.473) 26.023 3.063 ( 7.049 7.504 5.284) 11.572 3.707 ( -3.367 -3.138 13.612) 14.369 3.852 ( -12.239 -7.714 12.979) 19.436 5.140 ( -3.361 2.500 31.196) 31.475 5.390 ( 0.882 -1.115 -6.185) 6.346 6.196 ( 7.183 3.338 13.153) 15.354 6.484 ( 2.948 -1.430 -1.873) 3.774 7.169 ( -4.569 -8.356 -2.559) 9.861 8.063 ( -1.907 -6.075 23.830) 24.666 8.161 ( 1.631 -1.989 -0.825) 2.702 8.574 ( 0.830 0.957 5.285) 5.435 8.844 ( 0.308 -3.686 -3.697) 5.230 9.338 ( -1.686 3.523 -17.701) 18.126 10.377 ( -0.693 3.561 7.518) 8.348 10.546 ( -0.594 -1.355 20.912) 20.964 11.215 ( -1.576 -2.539 -4.189) 5.146 11.931 ( 2.188 -6.346 7.682) 10.202 12.428 ( -0.002 -2.241 1.279) 2.580 13.855 ( -3.959 11.056 -14.136) 18.377 16.782 ( 1.693 11.170 -6.398) 12.983 17.448 ( 3.823 -8.122 -11.959) 14.953 ======================= Grid point 199 (73/200) ======================= q-point: (-0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.000 9.994 -8.408) 13.060 2.078 ( 0.000 17.645 7.752) 19.273 2.841 ( 0.000 10.130 10.537) 14.617 3.006 ( 0.000 9.078 18.922) 20.987 3.786 ( -0.000 -0.090 17.587) 17.587 3.794 ( -0.000 -13.957 10.266) 17.326 5.089 ( 0.000 1.217 30.215) 30.240 5.404 ( -0.000 -0.851 -5.585) 5.649 6.212 ( 0.000 4.288 12.758) 13.459 6.529 ( -0.000 -1.828 -4.634) 4.982 7.248 ( -0.000 -10.736 -2.574) 11.041 8.134 ( -0.000 -8.017 23.246) 24.590 8.189 ( -0.000 -1.088 -0.506) 1.200 8.560 ( 0.000 2.592 1.922) 3.227 8.941 ( -0.000 -10.978 2.548) 11.270 9.264 ( 0.000 5.915 -17.625) 18.591 10.305 ( 0.000 5.562 6.445) 8.513 10.598 ( -0.000 -5.549 23.449) 24.097 11.227 ( -0.000 -2.936 -5.103) 5.887 12.062 ( -0.000 -11.786 11.129) 16.210 12.430 ( 0.000 0.522 1.129) 1.244 13.676 ( 0.000 14.013 -13.370) 19.368 16.663 ( 0.000 10.726 -6.075) 12.327 17.558 ( -0.000 -4.795 -13.730) 14.544 ======================= Grid point 206 (74/200) ======================= q-point: ( 0.44 -0.56 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 2.123 -0.000 -13.680) 13.844 2.502 ( -4.917 0.000 1.764) 5.224 2.901 ( 0.333 -0.000 32.931) 32.932 3.157 ( 10.655 -0.000 -1.554) 10.767 3.672 ( -18.331 0.000 10.756) 21.254 3.745 ( 0.174 -0.000 15.729) 15.730 5.180 ( -3.278 0.000 32.362) 32.528 5.376 ( 2.008 -0.000 -6.650) 6.947 6.240 ( 7.834 -0.000 13.652) 15.740 6.463 ( 1.999 -0.000 -0.601) 2.087 7.061 ( -5.566 0.000 -2.263) 6.008 7.983 ( -3.356 0.000 27.826) 28.027 8.133 ( 3.460 -0.000 -2.350) 4.183 8.584 ( 1.310 -0.000 4.958) 5.128 8.814 ( -1.827 0.000 -8.610) 8.802 9.379 ( -1.349 0.000 -17.902) 17.952 10.406 ( 2.073 -0.000 11.680) 11.862 10.550 ( -5.398 0.000 15.719) 16.620 11.183 ( 0.367 -0.000 -4.805) 4.819 11.855 ( 0.862 -0.000 6.646) 6.701 12.401 ( 2.085 -0.000 1.812) 2.763 13.991 ( -5.132 0.000 -15.219) 16.061 16.979 ( 2.070 -0.000 -6.604) 6.921 17.284 ( 4.258 -0.000 -10.931) 11.731 ======================= Grid point 208 (75/200) ======================= q-point: (-0.44 0.44 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.000 4.447 -14.525) 15.191 2.404 ( 0.000 8.406 2.711) 8.833 2.908 ( -0.000 -0.213 32.670) 32.670 3.238 ( 0.000 6.683 -4.063) 7.821 3.527 ( -0.000 -7.136 14.450) 16.116 3.757 ( -0.000 -1.586 15.890) 15.969 5.141 ( 0.000 1.933 32.561) 32.618 5.394 ( -0.000 -0.100 -7.313) 7.314 6.295 ( 0.000 2.225 13.383) 13.567 6.486 ( -0.000 -1.328 -1.369) 1.908 7.046 ( -0.000 -5.192 -2.216) 5.645 7.977 ( -0.000 -4.031 29.789) 30.060 8.167 ( -0.000 -0.547 -1.436) 1.537 8.595 ( 0.000 0.551 2.954) 3.005 8.807 ( -0.000 -1.840 -8.969) 9.155 9.356 ( 0.000 1.853 -18.152) 18.246 10.416 ( 0.000 2.894 5.648) 6.347 10.506 ( -0.000 -2.094 22.287) 22.386 11.189 ( -0.000 -0.573 -5.206) 5.237 11.884 ( -0.000 -3.665 7.750) 8.572 12.424 ( -0.000 -0.527 2.179) 2.242 13.914 ( 0.000 5.417 -15.480) 16.401 16.927 ( 0.000 9.883 -6.707) 11.944 17.379 ( -0.000 -8.223 -11.323) 13.994 ======================= Grid point 249 (76/200) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 0.000 5.261) 5.261 1.535 ( 0.000 0.000 27.831) 27.831 1.858 ( 0.000 0.000 28.473) 28.473 3.340 ( 0.000 0.000 47.912) 47.912 4.171 ( 0.000 0.000 22.658) 22.658 4.616 ( 0.000 0.000 3.911) 3.911 5.534 ( 0.000 0.000 1.250) 1.250 5.796 ( 0.000 0.000 26.552) 26.552 6.110 ( 0.000 0.000 8.678) 8.678 6.386 ( 0.000 0.000 -10.973) 10.973 7.995 ( 0.000 0.000 -5.315) 5.315 8.114 ( 0.000 0.000 15.564) 15.564 8.248 ( 0.000 0.000 -8.970) 8.970 8.454 ( 0.000 0.000 -23.089) 23.089 8.621 ( 0.000 0.000 10.151) 10.151 10.150 ( 0.000 0.000 10.521) 10.521 10.248 ( 0.000 0.000 6.268) 6.268 11.249 ( 0.000 0.000 8.492) 8.492 11.389 ( 0.000 0.000 -11.726) 11.726 12.203 ( 0.000 0.000 0.334) 0.334 12.706 ( 0.000 0.000 -6.286) 6.286 14.494 ( 0.000 0.000 2.359) 2.359 16.173 ( 0.000 0.000 -6.557) 6.557 16.430 ( 0.000 0.000 -4.154) 4.154 ======================= Grid point 250 (77/200) ======================= q-point: ( 0.11 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 2.762 -1.273 5.454) 6.245 1.658 ( 10.409 -5.254 24.545) 27.174 1.912 ( 3.006 -4.901 25.249) 25.896 3.394 ( 2.473 -4.591 45.413) 45.711 4.153 ( -1.618 0.517 21.231) 21.299 4.681 ( 9.952 3.631 5.582) 11.974 5.519 ( 0.087 2.033 2.498) 3.222 5.791 ( 0.725 2.509 23.883) 24.025 6.044 ( -8.971 -3.529 6.302) 11.517 6.424 ( 2.921 -0.417 -6.199) 6.865 7.903 ( -0.973 10.268 0.672) 10.336 8.118 ( -4.614 -6.315 5.915) 9.806 8.220 ( -4.392 -0.624 -8.270) 9.385 8.497 ( 2.469 -1.766 -19.335) 19.572 8.680 ( 6.047 -1.319 8.715) 10.689 10.081 ( -3.681 5.475 10.053) 12.024 10.284 ( 3.558 -0.218 7.461) 8.269 11.214 ( -3.031 2.150 5.456) 6.601 11.406 ( 3.728 2.418 -7.146) 8.415 12.126 ( -10.699 -3.630 4.460) 12.146 12.713 ( -2.546 -4.805 -6.560) 8.521 14.289 ( -0.239 29.321 4.234) 29.626 16.197 ( 2.141 -0.881 -6.716) 7.104 16.565 ( 0.420 -18.429 -7.381) 19.856 ======================= Grid point 251 (78/200) ======================= q-point: ( 0.22 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 4.728 -0.376 5.508) 7.269 1.959 ( 13.587 -8.643 19.400) 25.213 2.072 ( 6.265 -10.089 17.187) 20.891 3.490 ( 1.864 -3.678 39.546) 39.760 4.113 ( -1.634 1.332 18.828) 18.946 4.837 ( 14.758 5.600 7.748) 17.584 5.506 ( 1.998 2.973 2.538) 4.390 5.743 ( -2.670 2.727 17.827) 18.231 5.953 ( -7.495 -5.763 9.155) 13.160 6.451 ( -0.896 -0.085 0.806) 1.208 7.777 ( -0.055 8.721 -0.166) 8.723 8.104 ( -8.285 -2.798 0.537) 8.761 8.129 ( -3.934 -3.540 -4.516) 6.958 8.562 ( 4.282 0.309 -11.950) 12.698 8.812 ( 5.978 -2.528 1.231) 6.606 9.909 ( -5.882 9.882 12.167) 16.742 10.361 ( 4.881 -0.871 8.336) 9.699 11.092 ( -5.078 6.411 5.012) 9.592 11.448 ( 4.284 2.035 -0.131) 4.745 11.993 ( -11.818 -7.356 9.476) 16.839 12.739 ( -4.700 -10.106 -7.370) 13.361 13.911 ( 2.772 35.303 2.562) 35.504 16.257 ( 3.048 -1.578 -7.188) 7.965 16.793 ( -0.573 -18.394 -10.882) 21.379 ======================= Grid point 252 (79/200) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 4.711 0.116 4.544) 6.547 2.196 ( 4.330 -7.609 17.717) 19.762 2.401 ( 14.399 -12.288 7.544) 20.377 3.512 ( -1.456 1.051 34.200) 34.247 4.073 ( -1.054 1.444 16.797) 16.892 4.998 ( 12.052 6.573 6.799) 15.319 5.494 ( 0.727 3.826 0.772) 3.971 5.696 ( -1.865 -3.789 14.399) 15.005 5.942 ( -0.658 -3.777 14.249) 14.756 6.383 ( -6.421 1.198 8.468) 10.695 7.703 ( 2.353 7.126 -2.859) 8.031 7.952 ( -10.505 -1.295 -5.195) 11.791 8.166 ( -0.533 -6.362 2.261) 6.773 8.618 ( 3.804 2.027 -5.784) 7.214 8.917 ( 3.533 -1.750 -7.778) 8.720 9.675 ( -6.544 10.740 16.925) 21.087 10.461 ( 5.007 -1.915 9.099) 10.561 10.927 ( -4.952 6.213 8.858) 11.899 11.493 ( 3.078 0.849 4.139) 5.228 11.922 ( -6.816 -6.230 9.626) 13.339 12.800 ( -5.708 -14.651 -8.359) 17.808 13.580 ( 4.598 30.547 -2.763) 31.014 16.324 ( 2.544 -1.433 -7.720) 8.254 16.961 ( -0.874 -11.810 -12.275) 17.056 ======================= Grid point 253 (80/200) ======================= q-point: ( 0.44 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 2.016 0.059 3.540) 4.074 2.306 ( 1.285 -3.082 16.329) 16.666 2.726 ( 7.965 -6.999 0.527) 10.616 3.438 ( -2.759 2.850 33.668) 33.901 4.049 ( -0.330 0.578 15.568) 15.582 5.061 ( 3.555 3.575 3.461) 6.116 5.466 ( 0.063 1.089 5.464) 5.571 5.738 ( -0.034 -2.935 6.141) 6.807 6.031 ( 6.871 -2.448 18.828) 20.191 6.226 ( -9.246 2.180 15.037) 17.786 7.684 ( 3.189 4.115 -2.677) 5.854 7.821 ( -6.477 -1.766 -6.928) 9.647 8.234 ( 0.382 -3.654 3.345) 4.968 8.636 ( 1.388 1.707 -3.618) 4.235 8.972 ( 1.214 -0.819 -13.540) 13.619 9.489 ( -3.105 5.010 21.327) 22.127 10.558 ( 3.073 -1.835 9.624) 10.268 10.802 ( -2.818 3.110 11.050) 11.820 11.524 ( 1.163 0.123 5.665) 5.785 11.900 ( -2.106 -2.104 9.269) 9.735 12.882 ( -3.463 -10.368 -8.557) 13.882 13.361 ( 3.028 15.563 -7.113) 17.377 16.366 ( 0.976 -0.569 -8.059) 8.138 17.043 ( -0.375 -3.991 -12.714) 13.331 ======================= Grid point 259 (81/200) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 3.546 -0.000 2.883) 4.570 1.850 ( 15.594 -0.000 20.691) 25.909 1.970 ( 6.950 -0.000 24.898) 25.850 3.434 ( 4.965 -0.000 41.837) 42.130 4.132 ( -1.352 0.000 19.886) 19.932 4.908 ( 14.158 -0.000 6.409) 15.541 5.545 ( 2.061 -0.000 5.601) 5.968 5.830 ( -13.350 0.000 4.055) 13.952 5.830 ( 1.612 -0.000 19.577) 19.643 6.450 ( -0.143 0.000 -0.900) 0.911 7.924 ( -7.361 0.000 11.282) 13.471 7.999 ( 0.122 -0.000 -5.480) 5.482 8.108 ( -8.678 0.000 -8.040) 11.830 8.576 ( 6.775 -0.000 -20.787) 21.863 8.776 ( 6.383 -0.000 10.072) 11.924 10.028 ( -6.547 0.000 9.680) 11.686 10.354 ( 4.737 -0.000 9.256) 10.398 11.187 ( -2.353 0.000 1.675) 2.888 11.493 ( 4.819 -0.000 -5.190) 7.082 11.862 ( -16.536 0.000 15.061) 22.367 12.619 ( -5.062 0.000 -6.100) 7.927 14.430 ( -3.847 0.000 -3.603) 5.271 16.259 ( 5.294 -0.000 -7.496) 9.177 16.470 ( 2.415 -0.000 -4.612) 5.206 ======================= Grid point 260 (82/200) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 2.631 -2.550 2.012) 4.180 2.103 ( 10.941 -0.345 20.283) 23.048 2.167 ( 14.972 -6.382 14.418) 21.743 3.517 ( 3.501 -0.235 35.825) 35.997 4.106 ( -1.071 0.950 18.627) 18.682 5.116 ( 11.799 2.902 6.378) 13.723 5.569 ( -6.418 2.351 2.941) 7.441 5.628 ( -2.071 -2.144 9.166) 9.639 5.877 ( 3.069 -1.399 15.074) 15.447 6.405 ( -5.181 0.500 6.800) 8.563 7.814 ( -2.996 1.686 4.410) 5.592 7.933 ( -10.908 0.517 -5.684) 12.311 8.030 ( -0.678 -3.888 -3.423) 5.225 8.684 ( 7.215 2.221 -15.569) 17.303 8.877 ( 4.308 -1.324 4.717) 6.524 9.867 ( -9.428 4.503 12.464) 16.264 10.436 ( 4.784 -0.393 10.123) 11.203 11.104 ( -3.281 6.947 1.851) 7.903 11.525 ( -0.150 2.938 5.897) 6.590 11.700 ( -7.708 -10.947 11.588) 17.707 12.553 ( -6.391 -5.147 -6.487) 10.460 14.235 ( -3.561 18.846 -6.418) 20.225 16.336 ( 5.935 2.876 -7.677) 10.121 16.619 ( 3.240 -13.779 -7.452) 15.997 ======================= Grid point 261 (83/200) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.220 -3.007 2.041) 3.641 2.274 ( 9.761 0.519 16.423) 19.112 2.509 ( 13.461 -9.237 7.011) 17.768 3.524 ( -0.709 3.206 31.236) 31.408 4.077 ( -0.663 1.425 17.369) 17.440 5.162 ( -2.494 4.834 3.571) 6.507 5.413 ( -7.686 -4.696 5.636) 10.626 5.728 ( 8.592 1.133 8.322) 12.015 5.985 ( 8.170 -1.213 13.896) 16.165 6.272 ( -8.842 1.523 15.303) 17.740 7.741 ( -11.306 -0.343 -4.692) 12.246 7.790 ( 1.081 0.114 -1.749) 2.059 8.089 ( 1.121 -5.561 -0.211) 5.677 8.746 ( 5.059 5.010 -6.578) 9.693 8.940 ( 1.349 -1.521 -6.039) 6.372 9.635 ( -9.983 5.908 17.144) 20.700 10.519 ( 3.963 -1.171 10.584) 11.362 10.943 ( -3.622 8.557 6.960) 11.609 11.494 ( -2.983 -3.391 9.894) 10.876 11.774 ( 0.744 -7.475 6.204) 9.742 12.541 ( -6.104 -10.902 -7.438) 14.540 13.930 ( -2.142 23.426 -8.658) 25.066 16.389 ( 4.579 2.933 -7.846) 9.546 16.838 ( 3.581 -12.275 -10.407) 16.487 ======================= Grid point 262 (84/200) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -3.045 -2.184 3.443) 5.089 2.395 ( 7.402 3.940 13.210) 15.647 2.757 ( 3.757 -4.193 0.130) 5.632 3.451 ( -0.685 3.738 32.254) 32.477 4.055 ( -0.111 1.015 16.242) 16.274 4.998 ( -12.195 -1.784 4.503) 13.122 5.391 ( -3.120 -4.076 3.866) 6.426 5.840 ( 7.605 4.579 7.269) 11.473 6.084 ( -5.389 1.840 21.812) 22.543 6.182 ( 8.488 -1.280 13.012) 15.588 7.586 ( -9.832 -3.741 -4.017) 11.260 7.844 ( 5.276 -0.138 -5.080) 7.325 8.183 ( 1.472 -5.392 1.721) 5.849 8.728 ( 1.641 6.910 -2.104) 7.408 8.964 ( -0.427 -1.413 -12.628) 12.714 9.445 ( -6.435 1.263 20.766) 21.777 10.578 ( 0.854 -0.392 9.791) 9.836 10.818 ( -0.847 4.729 10.088) 11.174 11.488 ( -3.411 -3.594 6.971) 8.552 11.875 ( 3.372 -3.820 8.035) 9.514 12.618 ( -4.428 -16.811 -7.358) 18.877 13.627 ( -1.807 21.981 -10.388) 24.379 16.412 ( 2.610 3.484 -8.041) 9.144 17.011 ( 3.830 -6.366 -12.252) 14.329 ======================= Grid point 263 (85/200) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -5.442 -1.338 5.956) 8.179 2.406 ( 2.488 8.896 11.127) 14.462 2.669 ( -9.094 8.701 1.223) 12.646 3.477 ( 4.478 -1.116 32.981) 33.302 4.052 ( 0.534 -0.157 15.867) 15.877 4.830 ( -14.849 -7.192 7.738) 18.223 5.398 ( -1.863 -4.094 0.080) 4.499 5.811 ( -2.502 5.706 19.702) 20.664 6.036 ( 4.707 3.777 12.994) 14.327 6.354 ( 8.190 -1.178 9.634) 12.700 7.517 ( -6.720 -7.813 -3.929) 11.029 7.962 ( 7.966 -0.833 -6.388) 10.245 8.236 ( -0.047 -1.006 2.631) 2.817 8.660 ( -0.123 5.565 -0.991) 5.654 8.950 ( -2.019 0.813 -13.868) 14.038 9.428 ( -0.639 -8.575 21.562) 23.214 10.525 ( -4.242 3.149 7.818) 9.436 10.834 ( 4.125 -1.534 11.590) 12.397 11.457 ( -4.794 -2.720 4.843) 7.337 11.983 ( 6.553 -0.840 8.732) 10.949 12.784 ( -2.827 -20.890 -4.202) 21.495 13.357 ( -2.726 17.076 -10.739) 20.355 16.392 ( 0.598 4.355 -7.960) 9.093 17.110 ( 3.927 0.632 -13.508) 14.081 ======================= Grid point 264 (86/200) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -5.431 -1.182 8.766) 10.380 2.219 ( -10.730 12.147 12.426) 20.422 2.400 ( -2.806 15.424 6.378) 16.925 3.552 ( 3.099 0.912 34.742) 34.892 4.080 ( 1.840 -1.311 16.851) 17.002 4.668 ( -15.667 -8.247 10.478) 20.574 5.419 ( -1.599 -4.059 -1.328) 4.560 5.723 ( -1.761 1.422 24.525) 24.629 6.092 ( 8.357 5.824 8.349) 13.170 6.454 ( 2.792 0.153 4.151) 5.005 7.542 ( -3.809 -10.690 -3.345) 11.831 8.110 ( 7.728 -1.323 -7.666) 10.965 8.220 ( 0.246 2.344 2.326) 3.311 8.604 ( -0.066 3.920 -0.189) 3.925 8.878 ( -3.878 2.975 -10.171) 11.285 9.598 ( 2.763 -15.096 18.139) 23.760 10.407 ( -4.806 3.097 7.029) 9.061 10.957 ( 6.047 -4.427 9.435) 12.049 11.400 ( -5.672 -2.542 3.097) 6.944 12.111 ( 9.721 2.086 7.054) 12.191 12.988 ( 1.746 -9.764 -1.740) 10.070 13.163 ( -7.696 -4.733 -5.233) 10.441 16.334 ( -0.812 4.848 -7.580) 9.034 17.121 ( 3.476 8.042 -14.456) 16.903 ======================= Grid point 265 (87/200) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -3.133 -1.392 10.602) 11.142 1.877 ( -10.179 12.226 18.728) 24.573 2.185 ( -0.818 16.758 10.523) 19.804 3.541 ( 0.550 5.810 39.856) 40.281 4.136 ( 2.816 -0.788 19.676) 19.892 4.530 ( -11.554 -8.293 9.084) 16.875 5.444 ( -0.792 -3.857 -0.153) 3.940 5.718 ( -0.448 -2.591 25.240) 25.377 6.165 ( 8.309 5.908 7.221) 12.493 6.444 ( -2.411 1.218 -2.388) 3.606 7.634 ( -1.488 -12.129 -1.582) 12.322 8.196 ( 1.143 0.225 -3.679) 3.859 8.241 ( 4.830 1.077 -4.825) 6.912 8.571 ( 2.190 3.825 -0.925) 4.504 8.751 ( -5.937 4.795 -4.070) 8.649 9.829 ( 2.494 -15.169 14.016) 20.803 10.308 ( -3.204 2.047 6.420) 7.461 11.121 ( 6.394 -4.931 6.634) 10.451 11.337 ( -5.772 -3.109 -0.195) 6.558 12.236 ( 8.936 4.327 2.271) 10.185 12.925 ( 1.108 12.483 -9.271) 15.588 13.382 ( -5.190 -39.393 12.775) 41.737 16.260 ( -1.057 4.445 -7.080) 8.426 17.028 ( 1.983 15.689 -14.689) 21.584 ======================= Grid point 266 (88/200) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -0.000 -0.671 9.528) 9.552 1.655 ( 0.000 9.541 24.411) 26.210 1.995 ( 0.000 12.841 17.718) 21.882 3.455 ( 0.000 7.923 44.556) 45.255 4.167 ( -0.000 -0.076 22.316) 22.317 4.524 ( -0.000 -7.395 5.499) 9.216 5.484 ( -0.000 -3.646 0.267) 3.656 5.751 ( -0.000 -3.234 26.351) 26.548 6.183 ( 0.000 5.371 9.334) 10.769 6.395 ( 0.000 0.768 -8.919) 8.952 7.771 ( -0.000 -12.393 -0.120) 12.393 8.201 ( 0.000 1.465 -0.062) 1.466 8.267 ( 0.000 1.306 -8.444) 8.545 8.565 ( 0.000 8.534 -14.183) 16.553 8.617 ( -0.000 -0.091 9.890) 9.890 10.012 ( -0.000 -11.367 11.748) 16.347 10.261 ( 0.000 1.202 6.085) 6.203 11.233 ( -0.000 -1.455 11.698) 11.788 11.318 ( -0.000 -5.123 -10.386) 11.581 12.265 ( 0.000 4.429 -0.781) 4.497 12.812 ( 0.000 8.541 -7.873) 11.616 13.836 ( -0.000 -42.533 13.921) 44.753 16.205 ( 0.000 3.069 -6.730) 7.397 16.818 ( 0.000 21.713 -12.523) 25.066 ======================= Grid point 269 (89/200) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.938 -0.000 1.705) 1.946 2.306 ( 12.650 -0.000 13.369) 18.405 2.370 ( 14.048 -0.000 11.688) 18.274 3.563 ( 1.143 -0.000 30.642) 30.663 4.097 ( -0.671 0.000 18.730) 18.742 5.273 ( 4.619 -0.000 4.538) 6.475 5.300 ( -18.723 0.000 4.558) 19.270 5.745 ( 9.688 -0.000 10.767) 14.484 5.973 ( 9.136 -0.000 10.606) 13.998 6.291 ( -8.697 0.000 15.110) 17.434 7.722 ( -11.443 0.000 -3.707) 12.028 7.796 ( -1.838 0.000 0.160) 1.845 8.026 ( 2.094 -0.000 -2.890) 3.569 8.813 ( 6.058 -0.000 -16.012) 17.120 8.916 ( 1.257 -0.000 5.498) 5.640 9.713 ( -11.961 0.000 15.053) 19.227 10.505 ( 3.840 -0.000 10.870) 11.529 11.121 ( -1.577 0.000 -3.009) 3.397 11.377 ( -11.154 0.000 23.692) 26.186 11.672 ( 5.812 -0.000 -0.336) 5.821 12.419 ( -5.860 0.000 -5.622) 8.121 14.244 ( -7.351 0.000 -11.120) 13.330 16.506 ( 9.037 -0.000 -9.884) 13.392 16.582 ( 4.124 -0.000 -5.832) 7.143 ======================= Grid point 270 (90/200) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -1.077 -1.241 1.175) 2.019 2.487 ( 11.696 3.954 9.555) 15.612 2.616 ( 9.941 -5.933 5.642) 12.878 3.539 ( -2.047 2.359 27.587) 27.763 4.085 ( -0.068 1.043 18.712) 18.741 4.972 ( -19.991 -0.554 5.947) 20.864 5.312 ( -1.017 -2.002 2.592) 3.430 5.916 ( 11.293 1.493 10.556) 15.530 6.124 ( -3.948 1.690 20.207) 20.658 6.161 ( 6.415 -0.893 11.447) 13.152 7.522 ( -12.592 -1.477 -4.654) 13.506 7.820 ( 3.149 -1.154 -1.977) 3.893 8.087 ( 3.718 -2.041 -0.547) 4.276 8.862 ( 1.757 3.755 -4.507) 6.124 8.924 ( -0.693 -1.691 -6.068) 6.337 9.499 ( -11.439 1.945 17.481) 20.981 10.561 ( 2.402 -0.533 10.637) 10.918 11.005 ( -2.592 10.208 4.332) 11.388 11.315 ( -6.451 -10.605 12.807) 17.836 11.782 ( 5.466 -2.400 2.835) 6.608 12.367 ( -3.524 -4.612 -5.221) 7.807 14.046 ( -7.789 10.550 -13.128) 18.556 16.546 ( 6.052 8.133 -8.185) 13.030 16.786 ( 6.658 -11.264 -10.006) 16.472 ======================= Grid point 271 (91/200) ======================= q-point: (-0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -3.035 -0.248 1.866) 3.571 2.582 ( 5.555 5.703 6.786) 10.462 2.768 ( 2.474 0.065 0.408) 2.509 3.487 ( 0.755 1.689 29.394) 29.452 4.070 ( 0.006 1.482 17.809) 17.871 4.676 ( -19.453 -5.431 8.791) 22.027 5.314 ( -1.593 -2.680 -0.050) 3.118 5.941 ( -5.220 4.660 25.059) 26.017 6.104 ( 8.902 1.826 11.060) 14.315 6.333 ( 9.344 -0.482 8.752) 12.812 7.364 ( -10.371 -4.686 -4.037) 12.075 7.916 ( 5.559 -2.433 -4.589) 7.608 8.183 ( 3.954 -2.399 1.336) 4.814 8.794 ( -3.018 4.341 -1.073) 5.395 8.941 ( 0.228 -1.383 -9.548) 9.651 9.322 ( -8.299 -0.728 18.528) 20.315 10.579 ( -0.989 0.943 8.416) 8.526 10.879 ( 0.333 5.817 9.585) 11.217 11.332 ( -6.013 -8.417 6.240) 12.080 11.910 ( 5.789 -3.927 6.346) 9.445 12.411 ( -1.308 -8.997 -4.886) 10.322 13.770 ( -7.058 14.378 -14.074) 21.322 16.535 ( 3.932 7.869 -8.167) 12.003 17.011 ( 6.141 -8.139 -12.326) 15.996 ======================= Grid point 272 (92/200) ======================= q-point: (-0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -3.496 1.021 3.847) 5.297 2.479 ( -7.969 8.936 5.946) 13.369 2.727 ( 3.101 11.467 1.509) 11.974 3.539 ( 4.228 -1.406 30.353) 30.679 4.058 ( 0.054 -0.256 16.603) 16.605 4.466 ( -16.079 -8.522 12.701) 22.192 5.328 ( -1.111 -3.351 -2.484) 4.317 5.802 ( -4.217 4.521 29.530) 30.170 6.217 ( 9.041 4.556 7.418) 12.550 6.457 ( 4.855 0.140 6.728) 8.298 7.303 ( -6.627 -8.863 -3.831) 11.711 8.048 ( 5.789 -3.299 -5.960) 8.940 8.249 ( 2.137 0.260 1.645) 2.710 8.698 ( -2.417 3.079 0.094) 3.916 8.944 ( -0.430 1.784 -12.895) 13.025 9.278 ( -3.672 -9.988 22.046) 24.480 10.499 ( -3.974 4.139 6.072) 8.355 10.895 ( 4.479 -0.553 11.506) 12.359 11.308 ( -6.812 -5.641 4.122) 9.759 12.075 ( 7.898 -5.089 8.055) 12.376 12.516 ( -2.494 -13.164 -2.425) 13.616 13.490 ( -5.399 14.952 -14.203) 21.317 16.487 ( 1.800 8.169 -8.041) 11.603 17.170 ( 4.813 -3.262 -14.091) 15.243 ======================= Grid point 273 (93/200) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -2.101 1.215 6.292) 6.744 2.186 ( -9.066 12.938 11.499) 19.540 2.603 ( 1.904 17.128 1.652) 17.313 3.611 ( 2.562 0.012 32.436) 32.537 4.099 ( 2.915 -3.032 16.567) 17.093 4.332 ( -12.152 -7.711 15.146) 20.894 5.353 ( -0.873 -3.604 -2.752) 4.618 5.710 ( -1.714 2.284 29.686) 29.823 6.300 ( 8.025 5.263 6.592) 11.643 6.479 ( -1.028 1.611 2.539) 3.178 7.348 ( -2.984 -11.687 -3.442) 12.543 8.158 ( 2.279 -2.667 -5.769) 6.752 8.267 ( 2.177 1.013 -1.524) 2.844 8.646 ( -0.373 2.202 3.715) 4.335 8.882 ( -1.488 5.417 -12.483) 13.689 9.423 ( 0.016 -17.582 20.776) 27.217 10.386 ( -2.913 4.403 5.638) 7.724 11.015 ( 6.551 -3.716 9.419) 12.060 11.250 ( -7.166 -4.449 3.646) 9.189 12.280 ( 10.188 -2.313 4.754) 11.478 12.632 ( -7.026 -21.258 5.887) 23.150 13.253 ( -2.226 14.080 -13.386) 19.555 16.407 ( 0.282 7.963 -7.667) 11.057 17.239 ( 2.740 2.502 -15.516) 15.954 ======================= Grid point 274 (94/200) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 0.000 0.099 9.025) 9.026 1.942 ( 0.000 13.725 17.171) 21.982 2.398 ( 0.000 19.009 4.278) 19.485 3.610 ( 0.000 3.665 36.554) 36.737 4.178 ( 0.000 0.819 22.001) 22.016 4.298 ( -0.000 -10.978 9.304) 14.390 5.390 ( -0.000 -3.982 -1.761) 4.354 5.690 ( -0.000 -0.841 28.299) 28.311 6.326 ( 0.000 6.172 10.561) 12.232 6.422 ( 0.000 1.536 -5.193) 5.415 7.470 ( -0.000 -12.745 -2.488) 12.985 8.192 ( -0.000 -1.432 -4.700) 4.913 8.289 ( 0.000 0.276 -5.893) 5.900 8.628 ( 0.000 1.108 7.311) 7.395 8.780 ( 0.000 8.451 -10.730) 13.659 9.646 ( -0.000 -18.485 17.019) 25.127 10.313 ( 0.000 3.420 5.657) 6.610 11.172 ( -0.000 -3.816 17.834) 18.238 11.191 ( -0.000 -4.947 -8.479) 9.817 12.368 ( 0.000 3.685 -1.965) 4.177 12.880 ( -0.000 -32.545 15.490) 36.043 13.085 ( 0.000 11.508 -10.255) 15.414 16.320 ( 0.000 6.678 -7.257) 9.862 17.195 ( 0.000 9.103 -16.146) 18.535 ======================= Grid point 279 (95/200) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -1.482 0.000 -1.015) 1.796 2.662 ( 1.849 -0.000 4.388) 4.761 2.743 ( 12.900 -0.000 3.110) 13.270 3.515 ( -1.832 0.000 26.010) 26.075 4.096 ( 0.451 -0.000 19.838) 19.843 4.603 ( -22.460 0.000 9.073) 24.223 5.281 ( -1.340 0.000 -0.057) 1.341 6.002 ( -7.066 0.000 28.525) 29.387 6.123 ( 11.965 -0.000 9.374) 15.200 6.329 ( 9.505 -0.000 7.427) 12.063 7.307 ( -11.805 0.000 -3.905) 12.434 7.881 ( 5.221 -0.000 -3.421) 6.242 8.150 ( 4.994 -0.000 1.092) 5.112 8.845 ( -5.187 0.000 -1.664) 5.448 8.919 ( 0.448 -0.000 -5.979) 5.996 9.327 ( -10.164 0.000 15.325) 18.389 10.584 ( 0.629 -0.000 9.430) 9.451 11.082 ( -0.864 0.000 -5.852) 5.916 11.093 ( -6.705 0.000 19.803) 20.908 11.859 ( 5.189 -0.000 3.780) 6.419 12.316 ( 0.354 -0.000 -3.368) 3.386 13.951 ( -10.056 0.000 -15.575) 18.539 16.724 ( 4.115 -0.000 -7.293) 8.373 16.811 ( 8.709 -0.000 -12.362) 15.122 ======================= Grid point 280 (96/200) ======================= q-point: (-0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -1.730 0.949 -2.163) 2.928 2.617 ( -5.085 2.760 2.946) 6.493 2.918 ( 9.878 4.302 -0.185) 10.775 3.510 ( 1.359 -0.783 27.004) 27.049 4.085 ( -1.180 2.347 19.045) 19.225 4.285 ( -18.096 -5.962 13.420) 23.305 5.272 ( -0.687 -1.269 -2.763) 3.117 5.894 ( -4.270 2.468 31.926) 32.304 6.295 ( 9.657 1.797 6.554) 11.808 6.459 ( 6.067 0.014 8.017) 10.054 7.152 ( -8.898 -3.462 -3.335) 10.113 7.987 ( 6.111 -1.437 -4.206) 7.556 8.237 ( 4.310 -0.801 2.666) 5.130 8.740 ( -6.105 0.715 -4.630) 7.696 8.927 ( 0.003 -1.786 0.172) 1.795 9.178 ( -7.789 -0.256 11.509) 13.900 10.569 ( -1.907 1.411 6.749) 7.153 10.949 ( -0.455 5.095 12.513) 13.518 11.138 ( -4.082 -7.857 1.469) 8.975 11.954 ( 4.400 -3.136 5.718) 7.867 12.361 ( 2.578 -2.295 -2.709) 4.388 13.749 ( -9.096 5.996 -16.729) 19.964 16.708 ( 3.590 9.614 -8.477) 13.311 17.012 ( 5.963 -8.621 -12.911) 16.631 ======================= Grid point 281 (97/200) ======================= q-point: (-0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -1.110 2.217 -1.426) 2.860 2.445 ( -6.567 8.262 5.346) 11.831 2.951 ( 5.331 11.628 -1.801) 12.918 3.569 ( 2.229 -2.805 27.610) 27.842 4.003 ( -6.162 -3.859 15.873) 17.459 4.181 ( -5.166 -5.104 19.242) 20.566 5.284 ( -0.369 -2.057 -4.365) 4.839 5.801 ( -2.049 4.305 33.274) 33.614 6.401 ( 6.826 2.955 4.439) 8.662 6.515 ( 1.192 1.399 7.491) 7.714 7.109 ( -4.281 -7.859 -3.314) 9.543 8.099 ( 4.382 -1.873 -3.930) 6.177 8.287 ( 1.295 0.577 1.767) 2.265 8.663 ( -2.795 -0.905 -3.855) 4.846 8.961 ( 1.036 -0.312 -8.333) 8.403 9.100 ( -4.831 -6.879 20.246) 21.921 10.495 ( -2.401 4.066 5.012) 6.886 10.956 ( 3.478 -1.119 14.344) 14.802 11.134 ( -5.250 -4.812 0.439) 7.135 12.090 ( 3.785 -8.688 7.638) 12.171 12.423 ( 1.059 -1.888 -2.150) 3.051 13.537 ( -5.200 9.012 -16.909) 19.853 16.631 ( 1.606 10.590 -8.462) 13.651 17.180 ( 3.138 -6.552 -14.191) 15.942 ======================= Grid point 282 (98/200) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 0.000 2.514 1.304) 2.832 2.258 ( 0.000 12.148 9.654) 15.517 2.824 ( 0.000 16.221 -1.694) 16.309 3.621 ( -0.000 -2.077 29.348) 29.422 4.042 ( -0.000 -9.990 14.128) 17.303 4.174 ( -0.000 -1.559 20.935) 20.993 5.308 ( -0.000 -2.739 -3.974) 4.827 5.733 ( 0.000 4.035 32.458) 32.708 6.459 ( 0.000 4.885 11.299) 12.310 6.459 ( 0.000 1.338 -1.813) 2.253 7.187 ( -0.000 -10.707 -3.450) 11.249 8.155 ( -0.000 -1.481 -3.629) 3.920 8.289 ( 0.000 0.149 -1.662) 1.669 8.652 ( 0.000 0.079 0.716) 0.721 8.934 ( 0.000 4.445 -13.902) 14.595 9.213 ( -0.000 -16.197 24.499) 29.370 10.418 ( 0.000 4.962 5.039) 7.071 11.058 ( -0.000 -5.316 21.517) 22.164 11.101 ( -0.000 -2.641 -7.374) 7.832 12.284 ( -0.000 -17.216 10.262) 20.042 12.425 ( 0.000 1.163 -2.037) 2.346 13.376 ( 0.000 11.107 -15.757) 19.278 16.519 ( 0.000 10.055 -8.057) 12.885 17.262 ( -0.000 -2.638 -15.232) 15.459 ======================= Grid point 289 (99/200) ======================= q-point: ( 0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -0.844 0.000 -5.060) 5.130 2.547 ( -4.751 0.000 2.757) 5.493 3.103 ( 7.733 -0.000 -3.340) 8.423 3.522 ( 1.101 -0.000 26.620) 26.643 3.957 ( -13.479 0.000 16.768) 21.514 4.111 ( 0.282 -0.000 20.596) 20.598 5.259 ( -0.077 0.000 -5.010) 5.011 5.861 ( -1.766 0.000 34.301) 34.346 6.434 ( 5.442 -0.000 3.016) 6.222 6.536 ( 3.096 -0.000 9.955) 10.425 7.010 ( -5.204 0.000 -2.778) 5.899 8.077 ( 5.200 -0.000 -3.173) 6.091 8.292 ( 2.598 -0.000 4.927) 5.569 8.636 ( -5.668 0.000 -8.748) 10.424 8.919 ( 1.059 -0.000 12.827) 12.871 9.065 ( -5.770 0.000 -0.327) 5.780 10.546 ( -1.859 0.000 5.009) 5.343 10.953 ( -1.665 0.000 21.026) 21.092 11.063 ( -0.301 0.000 -7.013) 7.019 11.987 ( 2.147 -0.000 6.084) 6.452 12.405 ( 3.172 -0.000 -1.763) 3.629 13.647 ( -6.430 0.000 -18.300) 19.397 16.827 ( 1.767 -0.000 -8.274) 8.460 17.029 ( 3.745 -0.000 -14.064) 14.554 ======================= Grid point 291 (100/200) ======================= q-point: (-0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.000 1.422 -4.947) 5.147 2.473 ( 0.000 5.148 3.933) 6.478 3.125 ( 0.000 7.948 -4.457) 9.113 3.551 ( -0.000 -2.790 26.544) 26.690 3.863 ( -0.000 -4.325 18.504) 19.003 4.124 ( -0.000 -1.767 20.608) 20.684 5.265 ( -0.000 -0.923 -5.608) 5.683 5.829 ( 0.000 2.867 34.757) 34.875 6.478 ( 0.000 0.283 0.737) 0.789 6.547 ( 0.000 2.297 11.247) 11.479 6.995 ( -0.000 -4.771 -2.814) 5.539 8.129 ( -0.000 -0.579 -2.360) 2.430 8.307 ( 0.000 1.069 4.109) 4.245 8.605 ( -0.000 -3.107 -8.758) 9.293 8.965 ( -0.000 -4.395 29.500) 29.825 8.997 ( 0.000 1.164 -16.774) 16.815 10.514 ( 0.000 2.468 4.423) 5.066 10.956 ( -0.000 -2.593 21.611) 21.766 11.064 ( -0.000 -0.653 -7.133) 7.163 12.033 ( -0.000 -4.871 6.717) 8.297 12.435 ( -0.000 -0.040 -1.557) 1.557 13.566 ( 0.000 4.302 -18.478) 18.972 16.770 ( 0.000 9.788 -8.750) 13.129 17.120 ( -0.000 -7.641 -14.041) 15.986 ======================= Grid point 332 (101/200) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.000 0.000 6.109) 6.109 2.063 ( 0.000 0.000 23.723) 23.723 2.442 ( 0.000 0.000 28.666) 28.666 4.213 ( 0.000 0.000 37.735) 37.735 4.629 ( 0.000 0.000 22.976) 22.976 4.708 ( 0.000 0.000 5.491) 5.491 5.564 ( 0.000 0.000 1.617) 1.617 6.161 ( 0.000 0.000 -11.280) 11.280 6.290 ( 0.000 0.000 8.921) 8.921 6.308 ( 0.000 0.000 23.400) 23.400 7.791 ( 0.000 0.000 -18.102) 18.102 8.041 ( 0.000 0.000 -11.207) 11.207 8.054 ( 0.000 0.000 -12.894) 12.894 8.459 ( 0.000 0.000 18.412) 18.412 8.796 ( 0.000 0.000 7.047) 7.047 10.385 ( 0.000 0.000 7.602) 7.602 10.402 ( 0.000 0.000 14.565) 14.565 11.125 ( 0.000 0.000 -14.436) 14.436 11.447 ( 0.000 0.000 10.867) 10.867 12.170 ( 0.000 0.000 -3.885) 3.885 12.589 ( 0.000 0.000 -5.063) 5.063 14.515 ( 0.000 0.000 -0.484) 0.484 16.035 ( 0.000 0.000 -6.976) 6.976 16.342 ( 0.000 0.000 -4.416) 4.416 ======================= Grid point 333 (102/200) ======================= q-point: ( 0.11 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 1.453 -2.547 5.666) 6.380 2.136 ( 6.498 -2.721 21.725) 22.839 2.450 ( 1.253 0.157 26.990) 27.020 4.215 ( -1.227 -1.746 35.077) 35.142 4.538 ( -4.885 1.534 15.656) 16.472 4.854 ( 13.219 1.560 13.371) 18.867 5.549 ( 0.525 2.987 1.292) 3.297 6.048 ( -9.302 -0.351 -3.645) 9.997 6.299 ( -1.242 -0.694 21.266) 21.314 6.393 ( 5.784 -2.916 4.346) 7.800 7.780 ( 0.787 3.788 -13.815) 14.347 8.006 ( -3.048 1.154 -10.676) 11.162 8.064 ( 3.633 2.515 -13.075) 13.802 8.422 ( -8.318 -7.113 13.690) 17.527 8.853 ( 5.794 0.923 7.671) 9.658 10.299 ( -4.886 2.980 11.193) 12.571 10.461 ( 5.253 1.758 10.840) 12.173 11.098 ( -1.666 1.915 -12.913) 13.160 11.478 ( 2.554 -1.156 10.128) 10.509 12.151 ( -3.459 -2.134 -1.960) 4.512 12.592 ( -2.144 -3.453 -5.266) 6.652 14.335 ( -4.458 21.662 0.345) 22.118 16.056 ( 1.817 -0.853 -7.087) 7.366 16.429 ( 0.482 -12.014 -6.243) 13.548 ======================= Grid point 334 (103/200) ======================= q-point: ( 0.22 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 2.268 -3.374 5.009) 6.452 2.326 ( 10.202 -5.182 16.131) 19.778 2.491 ( 2.865 -1.566 22.954) 23.185 4.201 ( -2.629 -0.689 30.154) 30.276 4.448 ( -2.721 3.341 14.043) 14.689 5.056 ( 13.622 3.735 13.983) 19.875 5.521 ( 1.936 4.514 0.716) 4.963 5.913 ( -9.440 -3.938 0.822) 10.261 6.290 ( -1.298 -2.071 20.016) 20.165 6.506 ( 3.424 -2.474 4.599) 6.244 7.717 ( 1.084 8.717 -6.387) 10.860 7.934 ( -5.862 -1.024 -9.244) 10.994 8.121 ( 5.293 0.152 -10.479) 11.741 8.388 ( -6.407 -8.718 5.081) 11.953 8.911 ( 3.475 3.588 5.597) 7.502 10.159 ( -5.451 6.067 12.678) 15.075 10.535 ( 5.930 1.219 9.111) 10.939 11.035 ( -2.422 2.636 -8.681) 9.390 11.545 ( 3.789 -0.924 8.842) 9.664 12.120 ( -4.375 -4.099 2.360) 6.443 12.605 ( -4.236 -8.175 -5.782) 10.872 13.934 ( -4.876 30.358 -0.153) 30.748 16.108 ( 2.668 -1.349 -7.376) 7.958 16.591 ( -0.103 -13.343 -9.224) 16.221 ======================= Grid point 335 (104/200) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 2.180 -2.556 4.658) 5.743 2.548 ( 5.535 -4.467 10.193) 12.429 2.593 ( 7.746 -4.645 17.267) 19.486 4.139 ( -3.959 1.602 27.249) 27.582 4.370 ( -1.546 3.675 12.463) 13.085 5.168 ( 6.333 6.146 9.313) 12.830 5.532 ( 6.064 3.979 3.765) 8.171 5.840 ( -7.514 -6.861 3.122) 10.643 6.321 ( 1.162 -3.705 18.968) 19.361 6.552 ( -0.115 -0.466 7.771) 7.786 7.641 ( 2.964 8.532 -3.316) 9.621 7.828 ( -8.605 -1.520 -6.060) 10.634 8.228 ( 4.598 -3.918 -1.707) 6.278 8.420 ( -1.348 -6.635 -5.378) 8.646 8.875 ( -0.170 6.504 0.956) 6.576 9.989 ( -5.228 6.833 14.425) 16.796 10.630 ( 6.108 -0.402 7.607) 9.764 10.961 ( -2.966 2.246 -3.397) 5.038 11.614 ( 3.542 -0.119 7.792) 8.560 12.108 ( -2.839 -3.836 6.396) 7.981 12.656 ( -5.374 -14.370 -5.736) 16.379 13.507 ( -2.411 30.211 -3.903) 30.557 16.166 ( 2.266 -1.176 -7.686) 8.099 16.720 ( -0.477 -9.105 -11.351) 14.560 ======================= Grid point 336 (105/200) ======================= q-point: ( 0.44 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.942 -0.945 4.430) 4.627 2.627 ( 1.336 -1.510 13.093) 13.247 2.774 ( 4.711 -3.172 5.783) 8.105 4.058 ( -2.365 1.487 27.342) 27.485 4.319 ( -0.535 1.596 10.989) 11.117 5.157 ( 0.736 2.934 5.753) 6.500 5.600 ( 5.124 2.555 8.047) 9.876 5.808 ( -4.259 -4.155 2.207) 6.346 6.410 ( 3.495 -3.824 16.557) 17.348 6.514 ( -2.928 1.998 12.483) 12.977 7.631 ( 6.078 5.694 -2.585) 8.721 7.706 ( -8.590 -2.875 -3.790) 9.820 8.341 ( 2.269 -3.611 6.374) 7.670 8.472 ( 0.359 -2.418 -11.322) 11.582 8.786 ( -1.149 4.427 -4.756) 6.598 9.859 ( -2.339 3.167 15.784) 16.267 10.736 ( 4.577 -1.317 7.856) 9.187 10.883 ( -3.277 1.672 -1.067) 3.830 11.658 ( 1.526 0.084 7.361) 7.518 12.110 ( -0.872 -1.344 8.412) 8.563 12.764 ( -3.445 -14.415 -2.392) 15.013 13.178 ( 0.327 19.807 -10.347) 22.349 16.203 ( 0.878 -0.459 -7.876) 7.938 16.787 ( -0.244 -3.155 -12.404) 12.801 ======================= Grid point 342 (106/200) ======================= q-point: ( 0.11 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 2.187 -0.000 4.639) 5.129 2.262 ( 10.206 -0.000 19.166) 21.714 2.480 ( 2.389 -0.000 25.337) 25.449 4.182 ( -1.533 0.000 31.313) 31.350 4.495 ( -2.014 0.000 15.940) 16.067 5.100 ( 14.596 -0.000 13.209) 19.686 5.587 ( 2.265 -0.000 1.069) 2.505 5.858 ( -12.445 0.000 -1.592) 12.546 6.271 ( -1.564 0.000 20.640) 20.699 6.471 ( 5.026 -0.000 3.401) 6.069 7.828 ( 2.228 -0.000 -12.418) 12.617 7.915 ( -7.095 0.000 -9.818) 12.114 8.200 ( 8.076 -0.000 -14.732) 16.801 8.204 ( -10.865 0.000 14.807) 18.365 8.954 ( 4.943 -0.000 7.751) 9.193 10.228 ( -5.876 0.000 10.282) 11.843 10.561 ( 5.397 -0.000 11.649) 12.839 11.073 ( -2.535 0.000 -11.707) 11.979 11.532 ( 4.666 -0.000 7.660) 8.969 12.055 ( -6.102 0.000 4.299) 7.464 12.510 ( -5.032 0.000 -4.495) 6.747 14.350 ( -8.908 0.000 -4.432) 9.949 16.104 ( 4.219 -0.000 -7.682) 8.764 16.374 ( 1.863 -0.000 -4.875) 5.219 ======================= Grid point 343 (107/200) ======================= q-point: ( 0.22 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 1.814 -2.588 3.595) 4.786 2.455 ( 10.633 -2.607 14.090) 17.843 2.535 ( 4.027 -0.693 21.438) 21.824 4.149 ( -3.065 -0.118 25.583) 25.766 4.460 ( -0.540 2.610 16.842) 17.051 5.287 ( 7.926 3.166 9.886) 13.060 5.610 ( -1.383 2.845 2.427) 3.987 5.702 ( -3.899 -4.647 1.011) 6.150 6.264 ( 0.623 -1.076 18.520) 18.562 6.539 ( 2.432 -0.416 6.653) 7.095 7.783 ( -8.550 -0.418 -7.610) 11.454 7.832 ( 0.925 5.704 -5.724) 8.134 8.079 ( -6.437 -6.701 9.003) 12.938 8.350 ( 8.413 -0.551 -14.443) 16.724 8.993 ( 1.301 2.807 5.359) 6.188 10.106 ( -7.023 2.549 11.490) 13.705 10.642 ( 5.080 0.773 10.561) 11.744 11.018 ( -2.728 1.923 -9.086) 9.679 11.617 ( 5.259 0.457 6.555) 8.416 11.976 ( -6.341 -5.406 10.531) 13.429 12.435 ( -6.707 -4.086 -4.923) 9.269 14.093 ( -9.196 15.416 -7.437) 19.430 16.175 ( 5.185 1.744 -8.032) 9.718 16.472 ( 2.361 -9.155 -6.980) 11.752 ======================= Grid point 344 (108/200) ======================= q-point: ( 0.33 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.396 -3.747 3.407) 5.080 2.608 ( 5.136 -0.238 14.007) 14.921 2.668 ( 7.514 -4.611 10.653) 13.828 4.081 ( -4.492 0.542 22.590) 23.039 4.413 ( 0.218 4.788 16.278) 16.969 5.249 ( -4.616 4.765 4.572) 8.057 5.537 ( -7.455 -6.242 6.353) 11.614 5.805 ( 10.195 2.229 2.991) 10.856 6.331 ( 4.757 -2.512 16.238) 17.106 6.552 ( -0.507 1.047 11.972) 12.028 7.639 ( -10.611 -2.294 -5.290) 12.076 7.768 ( 1.469 5.772 -0.822) 6.012 8.132 ( -0.769 -9.893 4.971) 11.099 8.484 ( 7.858 0.909 -14.577) 16.585 8.928 ( -2.600 5.754 1.385) 6.464 9.949 ( -6.901 3.577 14.033) 16.042 10.716 ( 4.211 -0.286 9.099) 10.030 10.941 ( -2.927 2.992 -5.046) 6.556 11.669 ( 1.766 1.217 7.614) 7.910 11.997 ( -1.850 -9.118 12.306) 15.427 12.402 ( -6.313 -9.635 -5.961) 12.970 13.737 ( -6.955 20.742 -10.121) 24.105 16.227 ( 4.207 2.668 -8.010) 9.433 16.629 ( 2.726 -9.183 -9.991) 13.841 ======================= Grid point 345 (109/200) ======================= q-point: ( 0.44 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -1.567 -3.282 4.508) 5.792 2.671 ( 3.374 1.898 12.387) 12.978 2.787 ( 0.664 -1.822 3.888) 4.345 4.020 ( -2.066 -1.222 23.163) 23.287 4.363 ( 0.884 4.589 14.611) 15.340 5.112 ( -7.844 -0.934 6.578) 10.279 5.483 ( -7.907 -5.844 5.020) 11.039 5.936 ( 10.416 5.279 4.075) 12.368 6.453 ( 5.541 -1.672 13.126) 14.345 6.505 ( -1.621 2.609 17.226) 17.498 7.505 ( -9.835 -4.543 -3.658) 11.434 7.769 ( 4.495 2.412 -2.006) 5.481 8.241 ( 0.005 -7.693 3.821) 8.590 8.580 ( 6.193 2.691 -11.733) 13.537 8.798 ( -4.132 5.015 -2.770) 7.064 9.826 ( -4.010 0.446 16.571) 17.055 10.760 ( -1.222 0.289 8.704) 8.794 10.876 ( 0.482 1.485 -2.826) 3.229 11.655 ( -2.293 -0.250 8.618) 8.922 12.086 ( 1.842 -4.238 10.338) 11.324 12.486 ( -3.024 -18.790 -4.657) 19.594 13.396 ( -4.776 20.047 -12.190) 23.944 16.247 ( 2.421 3.362 -8.096) 9.095 16.763 ( 3.043 -4.943 -12.029) 13.356 ======================= Grid point 346 (110/200) ======================= q-point: (-0.44 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -2.962 -1.894 6.418) 7.318 2.664 ( 0.648 4.977 11.989) 12.997 2.710 ( -7.673 4.245 4.190) 9.718 4.060 ( 2.252 -4.430 23.790) 24.303 4.346 ( 1.885 1.875 13.631) 13.888 5.019 ( -9.021 -6.137 10.560) 15.184 5.425 ( -6.248 -4.809 2.563) 8.290 6.015 ( 8.167 7.506 5.040) 12.183 6.423 ( -1.212 4.412 20.648) 21.149 6.556 ( 3.523 -0.094 9.089) 9.748 7.438 ( -6.931 -8.104 -3.547) 11.238 7.847 ( 6.083 0.065 -4.400) 7.508 8.266 ( -3.340 -0.303 -1.890) 3.849 8.612 ( 4.380 7.381 -1.935) 8.798 8.734 ( -1.331 -3.885 -6.045) 7.308 9.828 ( 0.443 -5.767 17.729) 18.648 10.667 ( -5.853 2.482 6.118) 8.823 10.919 ( 2.758 -1.312 -0.979) 3.207 11.610 ( -3.725 -0.826 9.284) 10.037 12.150 ( 3.129 -0.081 5.660) 6.467 12.736 ( 1.375 -24.280 0.535) 24.325 13.116 ( -3.894 14.467 -13.009) 19.841 16.228 ( 0.606 4.060 -8.100) 9.081 16.840 ( 3.069 0.666 -12.966) 13.341 ======================= Grid point 347 (111/200) ======================= q-point: (-0.33 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -2.857 -0.259 7.898) 8.402 2.482 ( -10.222 7.025 10.583) 16.305 2.586 ( -1.232 6.683 13.535) 15.145 4.163 ( 2.963 -4.251 24.815) 25.351 4.385 ( 3.416 -1.190 13.753) 14.221 4.931 ( -11.390 -6.504 15.065) 19.974 5.406 ( -2.885 -4.960 0.239) 5.743 6.040 ( 6.073 7.005 5.982) 11.033 6.370 ( 1.184 4.210 19.857) 20.333 6.569 ( -0.336 2.602 6.268) 6.795 7.468 ( -3.583 -11.300 -3.971) 12.501 7.940 ( 3.824 -0.547 -8.678) 9.499 8.173 ( -3.548 3.725 -8.356) 9.812 8.589 ( 4.763 7.655 3.083) 9.528 8.794 ( -0.737 -5.880 -0.169) 5.928 9.957 ( 3.011 -9.985 17.187) 20.104 10.541 ( -5.777 1.890 6.341) 8.784 10.975 ( 1.652 -2.138 -4.800) 5.508 11.558 ( -3.146 -0.244 10.932) 11.378 12.197 ( 3.865 2.039 0.701) 4.426 12.874 ( 0.800 12.995 -8.533) 15.567 13.141 ( -0.270 -32.926 2.041) 32.991 16.176 ( -0.640 4.378 -7.876) 9.033 16.844 ( 2.490 6.673 -12.928) 14.760 ======================= Grid point 348 (112/200) ======================= q-point: (-0.22 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -1.591 1.667 7.780) 8.114 2.252 ( -6.712 6.666 17.087) 19.531 2.491 ( -1.315 4.834 18.769) 19.426 4.236 ( 1.601 -1.450 27.892) 27.976 4.485 ( 5.856 -2.597 14.386) 15.748 4.792 ( -12.077 -3.374 17.583) 21.596 5.439 ( -0.896 -5.518 0.101) 5.591 6.073 ( 4.917 2.585 4.417) 7.097 6.357 ( 2.701 3.810 17.196) 17.819 6.489 ( -3.600 4.725 5.935) 8.397 7.573 ( -1.133 -12.366 -4.887) 13.345 7.960 ( -1.549 -0.380 -15.991) 16.070 8.107 ( 0.894 3.649 -9.121) 9.865 8.602 ( 6.709 6.595 7.498) 12.030 8.808 ( -3.982 -2.814 4.691) 6.766 10.133 ( 2.988 -10.543 15.917) 19.325 10.442 ( -4.186 0.798 7.052) 8.239 11.030 ( 1.106 -3.229 -10.078) 10.640 11.512 ( -1.886 1.088 12.531) 12.718 12.224 ( 2.961 3.259 -3.507) 5.630 12.745 ( 0.210 9.029 -8.361) 12.308 13.578 ( 1.594 -36.850 6.701) 37.489 16.112 ( -0.879 3.941 -7.489) 8.508 16.762 ( 1.213 12.358 -11.835) 17.154 ======================= Grid point 349 (113/200) ======================= q-point: (-0.11 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 0.000 3.182 6.612) 7.338 2.125 ( 0.000 4.971 21.270) 21.843 2.443 ( 0.000 1.340 24.521) 24.558 4.249 ( 0.000 1.398 32.694) 32.724 4.627 ( 0.000 0.391 23.836) 23.839 4.651 ( -0.000 -4.619 7.309) 8.646 5.496 ( -0.000 -4.969 0.898) 5.049 6.121 ( -0.000 -1.613 -0.092) 1.616 6.359 ( 0.000 3.258 15.293) 15.636 6.366 ( 0.000 5.668 8.626) 10.321 7.699 ( -0.000 -9.319 -8.610) 12.687 7.955 ( -0.000 -2.995 -17.119) 17.379 8.081 ( 0.000 3.029 -9.805) 10.262 8.599 ( 0.000 7.978 12.345) 14.699 8.775 ( -0.000 -1.735 5.845) 6.097 10.285 ( -0.000 -9.197 15.283) 17.836 10.391 ( 0.000 0.697 7.099) 7.133 11.080 ( -0.000 -3.263 -13.070) 13.471 11.476 ( 0.000 1.877 12.415) 12.556 12.211 ( 0.000 3.084 -4.805) 5.710 12.662 ( 0.000 5.892 -6.685) 8.911 14.024 ( -0.000 -34.536 5.417) 34.958 16.063 ( 0.000 2.681 -7.147) 7.633 16.601 ( 0.000 15.703 -9.415) 18.310 ======================= Grid point 352 (114/200) ======================= q-point: ( 0.22 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.535 -0.000 3.127) 3.172 2.603 ( 8.799 -0.000 10.957) 14.053 2.609 ( 5.484 -0.000 16.274) 17.174 4.087 ( -4.580 0.000 20.345) 20.855 4.479 ( 0.703 -0.000 19.247) 19.260 5.377 ( 0.424 -0.000 4.968) 4.986 5.385 ( -16.169 0.000 3.618) 16.569 5.838 ( 12.256 -0.000 3.744) 12.815 6.301 ( 4.922 -0.000 16.214) 16.944 6.564 ( 0.495 -0.000 11.699) 11.709 7.609 ( -11.001 0.000 -6.526) 12.791 7.895 ( -6.149 0.000 8.732) 10.680 7.950 ( 5.304 -0.000 -4.368) 6.871 8.495 ( 8.260 -0.000 -14.243) 16.465 9.003 ( -2.491 0.000 3.201) 4.056 9.995 ( -7.957 0.000 12.995) 15.238 10.715 ( 3.298 -0.000 10.404) 10.914 10.990 ( -2.233 0.000 -9.573) 9.829 11.727 ( 6.724 -0.000 5.226) 8.516 11.799 ( -9.403 0.000 17.049) 19.471 12.310 ( -5.246 0.000 -4.971) 7.227 14.005 ( -11.281 0.000 -12.294) 16.685 16.302 ( 7.367 -0.000 -9.957) 12.386 16.460 ( 3.223 -0.000 -6.096) 6.896 ======================= Grid point 353 (115/200) ======================= q-point: ( 0.33 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -1.132 -2.281 3.592) 4.404 2.705 ( 5.931 0.848 11.667) 13.116 2.730 ( 4.574 -1.944 5.596) 7.485 4.007 ( -4.526 -0.137 18.220) 18.774 4.475 ( 1.061 3.393 19.532) 19.853 5.104 ( -15.833 -0.012 6.871) 17.260 5.366 ( -4.549 -3.184 2.297) 6.009 6.027 ( 11.775 2.110 4.210) 12.682 6.418 ( 7.806 -0.886 13.232) 15.389 6.551 ( -1.188 0.980 17.905) 17.971 7.431 ( -11.377 -1.587 -4.222) 12.238 7.820 ( -0.256 1.734 2.180) 2.797 8.079 ( 5.331 -4.662 0.246) 7.086 8.610 ( 5.755 0.414 -13.279) 14.479 8.911 ( -6.041 2.949 -0.057) 6.723 9.855 ( -7.470 1.196 16.418) 18.077 10.754 ( 1.064 -0.329 9.166) 9.233 10.939 ( -1.620 2.691 -7.601) 8.224 11.642 ( -7.477 -0.841 15.022) 16.801 11.888 ( 4.679 -7.909 7.563) 11.902 12.261 ( -2.351 -2.439 -4.918) 5.972 13.762 ( -10.728 8.886 -14.749) 20.288 16.367 ( 5.811 6.611 -9.288) 12.796 16.589 ( 4.596 -8.501 -9.288) 13.404 ======================= Grid point 354 (116/200) ======================= q-point: (-0.56 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -2.574 -3.063 5.402) 6.722 2.739 ( -1.879 1.051 7.444) 7.749 2.792 ( 3.702 2.880 2.750) 5.437 3.972 ( -0.819 -2.541 18.420) 18.612 4.436 ( 0.495 4.989 18.110) 18.791 4.885 ( -13.838 -5.124 11.660) 18.807 5.322 ( -4.968 -3.425 0.572) 6.062 6.167 ( 9.763 4.861 4.578) 11.829 6.508 ( -1.035 2.467 22.625) 22.783 6.550 ( 6.268 -0.325 10.214) 11.988 7.286 ( -9.833 -4.363 -3.281) 11.247 7.842 ( 3.490 -0.197 -2.332) 4.202 8.215 ( 4.398 -3.367 2.047) 5.905 8.670 ( 1.745 0.492 -13.113) 13.238 8.767 ( -5.279 2.939 -1.473) 6.219 9.747 ( -4.717 -1.152 20.001) 20.582 10.728 ( -3.667 2.070 6.648) 7.869 10.908 ( 1.094 0.725 -3.902) 4.117 11.558 ( -6.308 -3.798 13.057) 14.990 12.067 ( 4.764 -8.027 8.650) 12.726 12.298 ( 0.115 -7.768 -5.916) 9.765 13.470 ( -9.032 12.018 -15.466) 21.569 16.361 ( 3.587 7.277 -8.861) 12.015 16.762 ( 4.745 -6.686 -12.029) 14.557 ======================= Grid point 355 (117/200) ======================= q-point: (-0.44 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -2.908 -2.741 8.125) 9.054 2.617 ( -8.092 4.225 6.455) 11.181 2.777 ( 2.253 8.206 3.963) 9.387 4.038 ( 2.251 -5.395 18.538) 19.438 4.393 ( -0.048 1.787 16.661) 16.757 4.767 ( -9.880 -7.100 16.463) 20.471 5.296 ( -3.391 -4.113 -0.946) 5.414 6.224 ( 6.033 7.696 7.837) 12.532 6.465 ( 0.578 3.406 22.376) 22.641 6.621 ( 2.857 1.740 7.468) 8.183 7.225 ( -6.467 -8.512 -3.592) 11.277 7.919 ( 4.282 -0.899 -6.317) 7.685 8.258 ( -0.186 2.701 -1.343) 3.022 8.654 ( -2.757 -3.625 -5.733) 7.322 8.728 ( 2.158 2.092 -3.663) 4.738 9.747 ( -0.877 -6.783 22.005) 23.044 10.613 ( -4.932 3.793 5.349) 8.205 10.935 ( 0.918 -1.296 -3.935) 4.244 11.517 ( -4.036 -3.541 13.457) 14.488 12.207 ( 4.916 -1.989 3.206) 6.198 12.469 ( 0.539 -19.933 -0.860) 19.959 13.197 ( -6.471 11.939 -14.617) 19.952 16.316 ( 1.640 7.518 -8.711) 11.623 16.889 ( 3.776 -2.557 -13.524) 14.272 ======================= Grid point 356 (118/200) ======================= q-point: (-0.33 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -1.822 -2.006 10.316) 10.666 2.420 ( -6.453 6.874 10.700) 14.261 2.682 ( 0.224 10.398 6.346) 12.183 4.142 ( 1.773 -5.641 19.700) 20.569 4.413 ( 1.561 -3.434 15.232) 15.692 4.701 ( -6.877 -4.329 20.283) 21.850 5.310 ( -1.480 -5.110 -1.505) 5.529 6.198 ( 2.577 7.652 12.715) 15.062 6.450 ( 2.380 3.655 15.939) 16.525 6.600 ( -0.760 4.376 6.782) 8.107 7.273 ( -2.734 -12.021 -3.869) 12.920 7.971 ( 1.220 0.889 -12.077) 12.171 8.197 ( -0.533 3.779 -5.266) 6.504 8.675 ( 0.070 -2.404 -0.060) 2.406 8.752 ( 1.474 -0.150 0.214) 1.497 9.861 ( 0.976 -11.236 21.500) 24.279 10.498 ( -3.301 3.681 5.586) 7.460 10.963 ( 0.180 -2.263 -7.610) 7.941 11.504 ( -1.776 -2.100 15.261) 15.507 12.283 ( 3.738 1.465 -3.994) 5.663 12.761 ( -0.985 -28.392 5.454) 28.927 12.991 ( -2.037 9.493 -11.777) 15.263 16.244 ( 0.295 7.215 -8.364) 11.050 16.939 ( 2.059 2.462 -14.060) 14.422 ======================= Grid point 357 (119/200) ======================= q-point: (-0.22 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -0.000 -0.654 10.319) 10.339 2.277 ( 0.000 7.325 15.192) 16.866 2.564 ( 0.000 8.950 11.763) 14.781 4.216 ( -0.000 -4.111 22.722) 23.091 4.509 ( -0.000 -6.922 11.590) 13.500 4.647 ( 0.000 0.351 24.147) 24.149 5.364 ( -0.000 -5.747 -0.851) 5.810 6.148 ( 0.000 4.467 11.220) 12.077 6.438 ( 0.000 3.325 12.190) 12.635 6.516 ( 0.000 6.424 8.029) 10.283 7.405 ( -0.000 -13.542 -3.968) 14.111 7.954 ( 0.000 1.736 -16.988) 17.076 8.160 ( 0.000 3.170 -6.545) 7.272 8.717 ( -0.000 -3.140 2.117) 3.787 8.742 ( 0.000 3.430 5.569) 6.541 10.016 ( -0.000 -12.534 19.146) 22.884 10.430 ( 0.000 2.774 6.032) 6.640 10.998 ( -0.000 -3.228 -10.430) 10.919 11.503 ( -0.000 -0.190 15.312) 15.313 12.288 ( 0.000 2.909 -6.225) 6.871 12.839 ( 0.000 7.416 -10.229) 12.634 13.163 ( -0.000 -33.799 8.989) 34.973 16.165 ( 0.000 5.992 -7.882) 9.901 16.895 ( 0.000 7.841 -13.563) 15.666 ======================= Grid point 362 (120/200) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -2.038 0.000 4.246) 4.710 2.745 ( -1.176 0.000 3.702) 3.885 2.829 ( 7.265 -0.000 5.294) 8.989 3.943 ( -2.483 0.000 16.459) 16.646 4.517 ( 1.329 -0.000 21.049) 21.091 4.808 ( -17.870 0.000 10.750) 20.854 5.280 ( -4.272 0.000 -0.394) 4.291 6.227 ( 10.549 -0.000 3.811) 11.216 6.536 ( -1.237 0.000 23.394) 23.427 6.545 ( 7.545 -0.000 10.436) 12.878 7.236 ( -10.718 0.000 -2.672) 11.046 7.841 ( 2.527 -0.000 -0.212) 2.536 8.163 ( 6.969 -0.000 0.671) 7.001 8.682 ( 2.802 -0.000 -11.958) 12.282 8.798 ( -9.182 0.000 -2.960) 9.647 9.741 ( -6.737 0.000 20.559) 21.635 10.750 ( -1.496 0.000 7.817) 7.958 10.933 ( -1.183 0.000 -8.533) 8.614 11.483 ( -7.934 0.000 17.386) 19.111 11.946 ( 6.035 -0.000 4.561) 7.564 12.240 ( 0.923 -0.000 -3.709) 3.822 13.619 ( -11.882 0.000 -17.106) 20.828 16.553 ( 7.166 -0.000 -12.864) 14.726 16.572 ( 3.284 -0.000 -7.566) 8.248 ======================= Grid point 363 (121/200) ======================= q-point: (-0.56 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -2.279 -1.494 5.717) 6.333 2.681 ( -5.508 1.264 2.915) 6.358 2.924 ( 5.913 3.515 0.919) 6.940 3.940 ( 0.575 -2.363 15.990) 16.174 4.471 ( -5.646 4.708 17.963) 19.410 4.606 ( -8.010 -6.405 18.128) 20.828 5.225 ( -3.417 -1.661 -2.139) 4.361 6.362 ( 7.713 3.330 4.519) 9.539 6.517 ( -0.146 0.947 26.486) 26.504 6.649 ( 4.960 0.588 8.107) 9.522 7.090 ( -8.433 -2.783 -2.255) 9.162 7.909 ( 5.261 -0.017 -3.243) 6.181 8.277 ( 5.188 -0.587 2.027) 5.601 8.625 ( -8.383 0.984 -7.660) 11.398 8.723 ( -0.150 -1.799 -8.947) 9.127 9.653 ( -4.386 -1.559 24.589) 25.026 10.692 ( -3.861 2.163 6.011) 7.465 10.918 ( -0.300 -0.131 -7.069) 7.077 11.409 ( -4.329 -3.977 16.274) 17.303 12.065 ( 4.578 -5.195 5.076) 8.586 12.279 ( 2.614 -1.169 -5.034) 5.792 13.401 ( -10.282 4.686 -17.533) 20.858 16.523 ( 3.363 9.591 -9.791) 14.112 16.751 ( 4.447 -8.360 -12.549) 15.721 ======================= Grid point 364 (122/200) ======================= q-point: (-0.44 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -1.573 -2.139 7.965) 8.396 2.554 ( -5.141 4.118 4.872) 8.193 2.923 ( 2.617 8.714 -0.683) 9.124 4.007 ( 1.503 -5.121 15.930) 16.800 4.343 ( -5.512 -2.124 17.470) 18.442 4.601 ( -1.769 -3.635 21.313) 21.693 5.210 ( -1.776 -3.170 -3.119) 4.789 6.386 ( 2.737 7.090 14.254) 16.154 6.516 ( 1.663 1.667 18.721) 18.868 6.685 ( 1.608 2.619 6.874) 7.530 7.041 ( -4.198 -7.049 -3.190) 8.802 7.994 ( 4.821 1.011 -6.258) 7.964 8.287 ( -1.681 3.844 -1.441) 4.436 8.561 ( -1.829 -5.569 -5.120) 7.783 8.740 ( -0.174 -1.683 -7.002) 7.203 9.650 ( -1.288 -6.036 26.721) 27.424 10.594 ( -2.935 3.876 5.097) 7.044 10.923 ( -0.257 -1.191 -7.190) 7.293 11.414 ( -1.820 -4.781 16.959) 17.714 12.223 ( 3.666 -10.078 5.143) 11.894 12.337 ( 1.068 -2.795 -6.107) 6.801 13.196 ( -5.867 6.571 -16.532) 18.733 16.448 ( 1.432 9.803 -9.532) 13.748 16.893 ( 2.445 -5.746 -13.887) 15.226 ======================= Grid point 365 (123/200) ======================= q-point: (-0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -0.000 -2.361 9.993) 10.268 2.444 ( 0.000 6.244 8.200) 10.306 2.819 ( 0.000 11.369 1.267) 11.439 4.089 ( -0.000 -5.961 17.077) 18.087 4.351 ( -0.000 -5.879 16.297) 17.325 4.619 ( -0.000 -2.338 22.221) 22.343 5.241 ( -0.000 -4.432 -2.813) 5.249 6.312 ( 0.000 8.265 18.335) 20.112 6.510 ( 0.000 2.524 12.874) 13.119 6.650 ( 0.000 4.624 7.214) 8.569 7.113 ( -0.000 -10.463 -3.701) 11.098 8.011 ( 0.000 2.789 -10.515) 10.879 8.224 ( 0.000 2.624 -3.850) 4.660 8.621 ( -0.000 -5.228 -2.228) 5.683 8.759 ( -0.000 -1.401 -2.903) 3.224 9.740 ( -0.000 -9.933 25.498) 27.365 10.519 ( 0.000 4.397 5.193) 6.805 10.938 ( -0.000 -1.857 -8.490) 8.691 11.452 ( -0.000 -3.989 17.603) 18.050 12.337 ( 0.000 1.179 -6.910) 7.010 12.457 ( -0.000 -21.086 6.545) 22.079 13.065 ( 0.000 7.539 -14.626) 16.455 16.345 ( 0.000 9.130 -9.007) 12.825 16.960 ( -0.000 -1.986 -14.396) 14.532 ======================= Grid point 372 (124/200) ======================= q-point: ( 0.44 -0.56 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -1.352 0.000 6.030) 6.180 2.603 ( -4.347 0.000 2.496) 5.013 3.037 ( 4.225 -0.000 -2.987) 5.174 3.938 ( 0.897 -0.000 15.146) 15.172 4.318 ( -9.357 0.000 18.452) 20.688 4.554 ( 0.674 -0.000 22.134) 22.145 5.171 ( -1.835 0.000 -3.888) 4.299 6.488 ( 4.436 -0.000 3.249) 5.499 6.524 ( 0.389 -0.000 30.521) 30.523 6.717 ( 2.631 -0.000 6.586) 7.092 6.956 ( -5.219 0.000 -2.115) 5.632 8.010 ( 6.286 -0.000 -3.330) 7.113 8.354 ( 3.640 -0.000 2.607) 4.477 8.469 ( -8.986 0.000 -7.851) 11.933 8.708 ( -0.345 0.000 -11.559) 11.565 9.581 ( -2.641 0.000 28.158) 28.281 10.647 ( -3.003 0.000 5.365) 6.148 10.908 ( -0.371 0.000 -8.093) 8.102 11.343 ( -1.231 0.000 17.077) 17.122 12.093 ( 2.428 -0.000 4.355) 4.986 12.324 ( 2.821 -0.000 -6.166) 6.781 13.276 ( -7.114 0.000 -18.093) 19.441 16.655 ( 1.431 -0.000 -8.567) 8.686 16.732 ( 3.062 -0.000 -15.053) 15.361 ======================= Grid point 374 (125/200) ======================= q-point: (-0.44 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -0.000 -1.155 6.892) 6.988 2.550 ( 0.000 2.434 3.373) 4.160 3.038 ( 0.000 5.767 -3.781) 6.896 3.967 ( -0.000 -3.380 15.077) 15.452 4.252 ( -0.000 -2.264 19.569) 19.700 4.568 ( -0.000 -1.408 22.205) 22.249 5.166 ( -0.000 -1.705 -4.282) 4.609 6.481 ( 0.000 5.172 18.467) 19.178 6.542 ( -0.000 -0.203 16.377) 16.378 6.728 ( 0.000 1.853 6.188) 6.460 6.936 ( -0.000 -4.116 -2.897) 5.033 8.068 ( 0.000 1.535 -3.825) 4.121 8.311 ( 0.000 5.183 -3.396) 6.197 8.467 ( -0.000 -7.362 -3.241) 8.044 8.714 ( -0.000 -1.553 -10.526) 10.640 9.579 ( -0.000 -3.412 29.126) 29.325 10.606 ( 0.000 2.280 4.955) 5.454 10.909 ( -0.000 -0.623 -8.018) 8.042 11.353 ( -0.000 -3.055 17.485) 17.750 12.147 ( -0.000 -5.865 4.496) 7.390 12.350 ( 0.000 0.134 -6.961) 6.962 13.196 ( 0.000 3.008 -17.642) 17.897 16.580 ( 0.000 10.018 -9.999) 14.154 16.832 ( -0.000 -7.878 -14.022) 16.084 ======================= Grid point 415 (126/200) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 0.000 0.000 6.647) 6.647 2.456 ( 0.000 0.000 14.679) 14.679 2.992 ( 0.000 0.000 25.456) 25.456 4.802 ( 0.000 0.000 20.484) 20.484 4.852 ( 0.000 0.000 9.073) 9.073 5.126 ( 0.000 0.000 26.138) 26.138 5.596 ( 0.000 0.000 1.514) 1.514 5.937 ( 0.000 0.000 -10.725) 10.725 6.461 ( 0.000 0.000 7.867) 7.867 6.712 ( 0.000 0.000 16.364) 16.364 7.338 ( 0.000 0.000 -23.513) 23.513 7.811 ( 0.000 0.000 -11.269) 11.269 7.890 ( 0.000 0.000 -6.024) 6.024 8.846 ( 0.000 0.000 19.812) 19.812 8.906 ( 0.000 0.000 4.065) 4.065 10.562 ( 0.000 0.000 10.125) 10.125 10.728 ( 0.000 0.000 17.258) 17.258 10.812 ( 0.000 0.000 -16.541) 16.541 11.668 ( 0.000 0.000 10.535) 10.535 12.042 ( 0.000 0.000 -8.776) 8.776 12.507 ( 0.000 0.000 -3.140) 3.140 14.471 ( 0.000 0.000 -3.862) 3.862 15.900 ( 0.000 0.000 -6.203) 6.203 16.257 ( 0.000 0.000 -3.928) 3.928 ======================= Grid point 416 (127/200) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.429 -2.437 6.087) 6.571 2.496 ( 4.028 -0.809 13.461) 14.074 2.972 ( -0.387 2.385 24.336) 24.456 4.765 ( -5.567 -0.101 17.380) 18.250 4.794 ( -1.186 3.528 13.797) 14.291 5.229 ( 10.173 1.033 21.415) 23.731 5.576 ( 0.244 3.347 1.384) 3.631 5.915 ( -4.766 -3.766 -7.620) 9.746 6.508 ( 3.430 -1.995 6.671) 7.762 6.680 ( -3.898 -1.199 14.053) 14.632 7.404 ( 6.351 -1.161 -19.290) 20.342 7.803 ( -3.165 -2.952 -10.263) 11.138 7.876 ( 3.302 6.201 -6.344) 9.466 8.713 ( -10.786 -2.467 12.801) 16.920 9.011 ( 6.414 1.533 9.411) 11.492 10.520 ( -4.053 0.835 10.795) 11.561 10.715 ( 1.712 6.266 8.634) 10.805 10.824 ( 1.638 -1.522 -8.621) 8.906 11.692 ( 1.083 -2.156 10.420) 10.696 12.051 ( 0.294 -1.372 -7.793) 7.918 12.504 ( -1.744 -2.078 -3.428) 4.372 14.305 ( -6.384 17.297 -3.146) 18.704 15.920 ( 1.645 -0.823 -6.259) 6.524 16.314 ( 0.325 -8.021 -5.080) 9.500 ======================= Grid point 417 (128/200) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 0.786 -4.068 4.945) 6.452 2.593 ( 5.825 -0.976 9.943) 11.565 2.943 ( 0.716 2.064 21.192) 21.304 4.657 ( -6.848 -0.228 12.976) 14.674 4.726 ( -0.340 6.683 16.761) 18.048 5.351 ( 6.233 4.715 12.459) 14.708 5.561 ( 5.282 4.220 4.228) 7.974 5.891 ( -6.370 -8.129 -1.594) 10.450 6.578 ( 1.014 -1.613 6.121) 6.410 6.654 ( -1.093 -3.485 10.470) 11.089 7.531 ( 7.404 1.385 -9.713) 12.292 7.774 ( -5.109 -3.956 -7.178) 9.658 7.886 ( 7.403 5.242 -9.680) 13.266 8.585 ( -9.857 -5.325 10.382) 15.274 9.035 ( 1.325 5.794 7.456) 9.535 10.410 ( -6.345 3.445 11.748) 13.790 10.672 ( 2.718 4.907 -1.906) 5.925 10.889 ( 3.226 -1.437 1.721) 3.928 11.739 ( 1.357 -1.773 9.253) 9.518 12.090 ( 1.425 -2.861 -4.752) 5.726 12.504 ( -3.298 -5.499 -4.411) 7.783 13.909 ( -9.138 25.770 -2.273) 27.437 15.968 ( 2.515 -1.198 -6.375) 6.957 16.424 ( -0.246 -9.334 -7.289) 11.845 ======================= Grid point 418 (129/200) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.800 -3.887 4.172) 5.758 2.690 ( 4.351 -0.403 4.952) 6.605 2.961 ( 2.672 -0.176 17.088) 17.297 4.554 ( -5.767 -0.454 10.429) 11.926 4.627 ( -0.857 7.786 17.187) 18.888 5.324 ( -0.338 4.908 5.434) 7.330 5.655 ( 11.366 5.563 7.494) 14.707 5.886 ( -7.620 -9.837 2.599) 12.712 6.600 ( -0.798 -3.558 6.885) 7.791 6.700 ( 1.547 -1.435 7.828) 8.107 7.585 ( 6.023 7.049 -1.389) 9.375 7.727 ( -7.135 -5.022 -4.274) 9.715 8.021 ( 11.370 -0.315 -11.996) 16.531 8.520 ( -7.416 -7.982 8.289) 13.690 8.924 ( -2.900 9.924 4.260) 11.182 10.248 ( -5.971 5.196 10.542) 13.183 10.700 ( 3.878 0.459 -3.191) 5.043 10.944 ( 1.778 -0.472 6.100) 6.371 11.776 ( 1.578 -0.566 7.420) 7.607 12.152 ( 1.774 -2.102 -1.226) 3.011 12.547 ( -2.998 -11.969 -5.957) 13.701 13.443 ( -8.213 27.100 -2.183) 28.402 16.022 ( 2.219 -0.984 -6.457) 6.898 16.512 ( -0.634 -6.543 -9.215) 11.319 ======================= Grid point 419 (130/200) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 0.341 -1.606 3.961) 4.288 2.741 ( 1.501 -0.115 1.275) 1.973 3.010 ( 1.705 -0.594 13.709) 13.828 4.491 ( -2.865 -1.363 7.615) 8.250 4.538 ( -0.074 4.751 19.225) 19.804 5.271 ( -0.583 1.885 4.929) 5.309 5.772 ( 11.395 7.214 7.217) 15.296 5.856 ( -9.683 -8.879 4.018) 13.739 6.633 ( -0.016 -2.139 4.807) 5.261 6.725 ( 0.552 0.040 8.928) 8.945 7.603 ( 6.378 6.510 0.077) 9.113 7.664 ( -7.236 -5.058 -1.142) 8.902 8.197 ( 6.730 -0.659 -11.257) 13.132 8.536 ( -2.904 -9.271 8.951) 13.210 8.740 ( -3.127 10.050 0.210) 10.527 10.126 ( -2.461 2.414 10.294) 10.856 10.760 ( 2.166 -0.649 -4.796) 5.303 10.957 ( 0.017 0.211 9.647) 9.649 11.803 ( 0.945 -0.074 6.468) 6.537 12.183 ( 0.417 -0.288 -0.068) 0.511 12.710 ( 0.605 -18.911 -7.564) 20.376 13.027 ( -4.874 23.957 -1.379) 24.487 16.057 ( 0.881 -0.370 -6.477) 6.547 16.556 ( -0.325 -2.294 -10.314) 10.571 ======================= Grid point 425 (131/200) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 0.683 -0.000 5.030) 5.076 2.582 ( 6.455 -0.000 11.899) 13.537 2.972 ( -1.051 0.000 23.000) 23.024 4.646 ( -7.258 0.000 15.246) 16.885 4.818 ( 0.460 -0.000 16.807) 16.813 5.416 ( 9.042 -0.000 15.645) 18.070 5.618 ( 3.796 -0.000 3.058) 4.875 5.777 ( -8.397 0.000 -5.767) 10.186 6.577 ( 5.647 -0.000 6.482) 8.597 6.595 ( -4.701 0.000 10.213) 11.243 7.536 ( 9.628 -0.000 -13.681) 16.730 7.710 ( -5.696 0.000 -10.139) 11.630 7.993 ( 6.241 -0.000 -7.147) 9.488 8.501 ( -12.175 0.000 13.714) 18.338 9.106 ( 3.164 -0.000 8.008) 8.610 10.442 ( -5.744 0.000 10.854) 12.280 10.792 ( -0.957 0.000 -15.407) 15.437 10.830 ( 4.298 -0.000 14.905) 15.512 11.713 ( 2.806 -0.000 9.234) 9.651 12.047 ( 0.497 -0.000 -4.547) 4.574 12.440 ( -4.521 0.000 -2.680) 5.256 14.249 ( -12.308 0.000 -5.590) 13.518 15.959 ( 3.487 -0.000 -6.516) 7.390 16.280 ( 1.353 -0.000 -4.318) 4.525 ======================= Grid point 426 (132/200) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 0.777 -2.592 3.849) 4.705 2.690 ( 6.116 0.147 8.661) 10.604 2.955 ( -0.422 -0.159 19.717) 19.722 4.530 ( -7.375 -0.669 13.717) 15.588 4.800 ( 0.640 4.687 16.140) 16.819 5.442 ( -1.638 4.712 3.885) 6.323 5.672 ( -8.824 -7.293 -0.625) 11.464 5.748 ( 11.883 2.078 8.927) 15.007 6.542 ( -1.709 -1.079 8.025) 8.275 6.678 ( 5.315 -0.644 7.208) 8.979 7.619 ( -7.376 -2.856 -8.362) 11.510 7.691 ( 9.220 1.935 -6.302) 11.334 8.087 ( 8.702 4.168 -8.014) 12.543 8.341 ( -10.625 -6.059 11.643) 16.887 9.096 ( -1.776 3.999 5.247) 6.832 10.332 ( -6.425 1.599 10.802) 12.670 10.753 ( 0.561 3.247 -9.870) 10.405 10.911 ( 2.627 -2.088 9.911) 10.464 11.770 ( 3.606 0.117 7.746) 8.545 12.077 ( 1.172 -3.167 -0.083) 3.378 12.361 ( -7.071 -3.461 -2.601) 8.291 13.943 ( -14.028 12.511 -7.225) 20.138 16.023 ( 4.391 0.727 -6.819) 8.142 16.343 ( 1.582 -5.674 -5.735) 8.221 ======================= Grid point 427 (133/200) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.570 -4.104 3.488) 5.416 2.761 ( 3.346 1.350 4.350) 5.651 2.972 ( 0.523 -2.087 15.475) 15.623 4.424 ( -6.882 -1.866 12.562) 14.445 4.733 ( 0.831 8.135 14.801) 16.909 5.330 ( -4.637 3.144 3.174) 6.439 5.631 ( -9.185 -9.509 2.181) 13.399 5.911 ( 11.876 4.260 7.882) 14.877 6.566 ( 1.733 -2.342 6.446) 7.074 6.754 ( 4.152 1.239 8.558) 9.592 7.532 ( -8.568 -4.609 -5.485) 11.168 7.762 ( 5.658 6.375 0.764) 8.558 8.217 ( 10.315 0.152 -8.414) 13.312 8.294 ( -6.149 -8.458 7.244) 12.721 8.962 ( -5.454 7.308 2.140) 9.367 10.201 ( -5.400 3.119 10.683) 12.369 10.751 ( 1.461 0.330 -7.699) 7.844 10.954 ( 0.485 -0.678 9.978) 10.013 11.813 ( 2.231 1.262 6.499) 6.986 12.155 ( 2.232 -3.515 2.680) 4.951 12.317 ( -7.032 -11.412 -2.598) 13.654 13.542 ( -11.961 17.403 -8.721) 22.847 16.076 ( 3.660 1.896 -6.829) 7.977 16.445 ( 1.824 -6.188 -8.114) 10.366 ======================= Grid point 428 (134/200) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.034 -3.550 4.311) 5.584 2.772 ( 0.469 2.118 0.637) 2.261 2.993 ( -1.631 -1.827 12.614) 12.850 4.366 ( -4.275 -4.740 11.824) 13.438 4.658 ( 2.050 7.632 14.368) 16.398 5.242 ( -3.889 -0.618 5.558) 6.811 5.577 ( -10.536 -8.855 4.023) 14.339 6.036 ( 10.555 6.110 6.036) 13.608 6.628 ( 2.398 -1.251 4.027) 4.851 6.786 ( 3.216 3.517 10.653) 11.671 7.447 ( -8.927 -5.867 -2.511) 10.974 7.772 ( 4.255 4.355 2.306) 6.511 8.256 ( -2.155 2.511 -5.472) 6.394 8.439 ( 6.602 -10.086 1.631) 12.164 8.782 ( -4.609 7.150 0.706) 8.536 10.110 ( -1.780 1.061 11.302) 11.490 10.765 ( -0.733 -0.224 -6.187) 6.235 10.953 ( -0.631 -0.117 10.227) 10.247 11.811 ( -0.809 0.746 6.491) 6.583 12.187 ( 0.150 0.131 -0.181) 0.269 12.456 ( -0.817 -21.699 -0.046) 21.714 13.167 ( -8.174 17.107 -9.405) 21.164 16.095 ( 1.934 2.833 -6.871) 7.680 16.539 ( 2.345 -3.525 -9.954) 10.817 ======================= Grid point 429 (135/200) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -0.489 -1.067 5.621) 5.743 2.725 ( -2.759 2.569 0.398) 3.791 2.957 ( -3.968 -0.540 13.076) 13.676 4.401 ( -0.776 -7.922 10.659) 13.304 4.637 ( 3.885 4.004 15.240) 16.230 5.216 ( -2.939 -4.149 7.776) 9.291 5.498 ( -10.305 -7.428 4.745) 13.561 6.108 ( 8.346 8.382 4.750) 12.747 6.660 ( 1.269 1.161 2.384) 2.939 6.782 ( 2.663 5.237 12.799) 14.083 7.390 ( -7.542 -8.259 -1.162) 11.244 7.802 ( 2.819 1.536 0.114) 3.212 8.127 ( -5.490 7.473 -9.351) 13.169 8.659 ( 1.387 -9.692 -1.300) 9.877 8.686 ( 4.690 3.417 6.846) 8.975 10.132 ( 2.727 -3.577 12.019) 12.833 10.717 ( -3.942 1.306 -2.365) 4.779 10.941 ( -1.619 -0.519 6.310) 6.535 11.785 ( -1.262 0.013 7.347) 7.455 12.180 ( -0.557 0.613 -1.569) 1.774 12.751 ( 1.279 -21.653 -6.104) 22.533 12.895 ( -2.705 8.258 -2.951) 9.177 16.074 ( 0.219 3.484 -6.967) 7.792 16.599 ( 2.589 0.492 -10.703) 11.023 ======================= Grid point 430 (136/200) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -0.688 2.062 6.287) 6.652 2.630 ( -4.814 2.240 4.932) 7.247 2.900 ( -3.234 -1.076 15.759) 16.123 4.511 ( 1.247 -9.214 10.435) 13.977 4.683 ( 4.571 0.629 15.915) 16.570 5.221 ( -4.712 -5.915 11.789) 14.006 5.434 ( -6.384 -6.233 2.887) 9.377 6.114 ( 5.816 10.023 3.145) 12.007 6.643 ( -0.102 3.142 2.797) 4.207 6.758 ( 2.464 5.563 14.197) 15.446 7.396 ( -4.898 -9.610 -2.378) 11.046 7.777 ( -5.773 0.660 -7.180) 9.237 7.976 ( 0.968 8.275 -8.970) 12.242 8.679 ( 3.434 1.140 2.757) 4.549 8.858 ( 3.482 -7.902 7.710) 11.577 10.269 ( 5.432 -7.124 12.881) 15.690 10.629 ( -4.399 0.837 0.327) 4.490 10.901 ( -3.668 -0.121 1.343) 3.908 11.773 ( 0.109 0.722 9.311) 9.340 12.149 ( -1.442 1.836 -4.616) 5.173 12.684 ( -1.217 8.790 -9.632) 13.097 13.196 ( 4.618 -31.415 2.595) 31.859 16.025 ( -0.833 3.707 -6.929) 7.903 16.607 ( 2.137 4.967 -10.402) 11.723 ======================= Grid point 431 (137/200) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -0.486 4.008 6.362) 7.535 2.531 ( -3.674 1.979 10.183) 11.005 2.891 ( -1.102 -3.424 19.827) 20.151 4.640 ( 1.167 -8.481 12.837) 15.429 4.759 ( 4.190 -1.060 14.234) 14.876 5.178 ( -6.715 -3.381 17.906) 19.420 5.450 ( -1.381 -6.618 0.891) 6.819 6.075 ( 3.462 9.247 -0.457) 9.884 6.586 ( -1.322 4.194 4.108) 6.018 6.742 ( 2.605 4.123 16.020) 16.746 7.416 ( -3.605 -3.165 -10.238) 11.306 7.679 ( -5.309 -5.318 -9.865) 12.401 7.934 ( 2.742 6.745 -7.863) 10.717 8.753 ( 5.530 -0.793 4.867) 7.409 8.948 ( -1.177 -3.370 10.753) 11.330 10.449 ( 5.215 -6.903 14.736) 17.088 10.573 ( -3.069 -2.470 2.980) 4.939 10.837 ( -3.472 -0.000 -5.144) 6.206 11.760 ( 0.282 2.614 11.412) 11.710 12.100 ( -0.991 2.369 -8.399) 8.782 12.596 ( 0.272 5.423 -6.259) 8.286 13.658 ( 3.798 -33.446 1.433) 33.692 15.967 ( -0.915 3.301 -6.706) 7.530 16.550 ( 1.019 9.128 -9.185) 12.989 ======================= Grid point 432 (138/200) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.000 3.966 6.434) 7.558 2.477 ( 0.000 1.614 13.046) 13.145 2.932 ( -0.000 -4.273 23.273) 23.662 4.734 ( -0.000 -5.835 16.588) 17.584 4.828 ( -0.000 -1.988 10.411) 10.599 5.124 ( -0.000 -0.343 23.492) 23.494 5.518 ( -0.000 -5.959 1.137) 6.067 6.013 ( 0.000 6.356 -5.506) 8.409 6.519 ( 0.000 4.284 6.108) 7.461 6.733 ( 0.000 2.057 16.926) 17.051 7.372 ( 0.000 2.211 -20.006) 20.128 7.744 ( -0.000 -10.171 -5.997) 11.807 7.884 ( 0.000 5.610 -9.450) 10.990 8.861 ( -0.000 -3.771 2.980) 4.807 8.904 ( 0.000 3.253 16.890) 17.201 10.545 ( -0.000 -1.048 7.131) 7.207 10.615 ( -0.000 -8.381 16.952) 18.910 10.807 ( -0.000 -0.278 -12.751) 12.754 11.722 ( 0.000 3.623 11.632) 12.183 12.067 ( 0.000 1.924 -9.453) 9.647 12.549 ( 0.000 3.464 -4.466) 5.651 14.071 ( -0.000 -29.439 -0.359) 29.442 15.925 ( 0.000 2.237 -6.413) 6.792 16.434 ( 0.000 11.211 -7.206) 13.327 ======================= Grid point 435 (139/200) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.626 -0.000 3.499) 3.555 2.782 ( 4.237 -0.000 6.205) 7.513 2.941 ( -0.518 0.000 16.107) 16.115 4.403 ( -7.382 0.000 12.489) 14.508 4.846 ( 1.252 -0.000 16.170) 16.218 5.436 ( -11.935 0.000 1.274) 12.003 5.436 ( -3.981 0.000 0.551) 4.019 5.963 ( 11.925 -0.000 8.559) 14.679 6.538 ( 2.317 -0.000 6.677) 7.068 6.768 ( 5.253 -0.000 8.931) 10.361 7.474 ( -7.894 0.000 -6.709) 10.360 7.871 ( 10.132 -0.000 -2.710) 10.489 8.114 ( -10.342 0.000 12.012) 15.851 8.265 ( 8.931 -0.000 -8.595) 12.395 9.053 ( -6.344 0.000 2.065) 6.672 10.241 ( -5.630 0.000 11.471) 12.778 10.765 ( -0.546 0.000 -12.023) 12.035 10.937 ( 1.619 -0.000 11.778) 11.889 11.850 ( 5.273 -0.000 6.400) 8.292 12.037 ( -4.130 0.000 6.497) 7.699 12.226 ( -5.244 0.000 -3.240) 6.164 13.762 ( -15.694 0.000 -11.532) 19.475 16.117 ( 5.735 -0.000 -8.176) 9.987 16.343 ( 2.391 -0.000 -5.351) 5.861 ======================= Grid point 436 (140/200) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.347 -2.521 4.315) 5.010 2.816 ( 0.722 1.148 2.652) 2.979 2.947 ( -0.191 -1.388 11.775) 11.858 4.297 ( -5.936 -1.319 11.637) 13.130 4.833 ( 1.174 5.706 15.103) 16.188 5.233 ( -10.093 -0.395 5.539) 11.520 5.389 ( -7.521 -5.576 -0.102) 9.364 6.136 ( 10.681 2.224 6.574) 12.738 6.606 ( 4.664 -0.497 4.903) 6.785 6.838 ( 3.805 0.796 10.745) 11.426 7.356 ( -7.805 -1.670 -3.202) 8.600 7.900 ( -0.367 6.772 5.090) 8.479 8.122 ( 2.890 -9.827 4.548) 11.207 8.390 ( 7.090 1.754 -8.366) 11.106 8.900 ( -9.318 2.590 -0.919) 9.715 10.151 ( -3.861 1.510 12.828) 13.482 10.759 ( -0.245 -0.122 -9.508) 9.511 10.949 ( -0.591 -0.221 10.343) 10.362 11.856 ( -2.924 3.757 6.840) 8.334 12.044 ( -1.168 -12.365 5.481) 13.576 12.191 ( -0.212 0.040 -1.180) 1.200 13.466 ( -14.064 7.016 -14.231) 21.202 16.185 ( 4.915 4.070 -8.503) 10.631 16.421 ( 3.020 -5.096 -7.274) 9.381 ======================= Grid point 437 (141/200) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -0.025 -3.680 6.254) 7.257 2.783 ( -2.790 1.590 -0.393) 3.236 2.946 ( -1.334 -0.049 9.098) 9.195 4.256 ( -2.531 -4.131 10.776) 11.815 4.765 ( 0.293 6.625 13.857) 15.362 5.122 ( -7.117 -4.440 10.848) 13.713 5.329 ( -7.816 -6.000 0.117) 9.854 6.263 ( 9.283 4.514 5.181) 11.549 6.678 ( 3.684 0.587 2.558) 4.523 6.878 ( 3.050 1.787 12.824) 13.302 7.252 ( -7.706 -2.620 0.257) 8.143 7.841 ( -0.018 2.260 2.646) 3.480 8.258 ( 2.670 -0.329 1.557) 3.108 8.462 ( 2.851 -2.012 -6.845) 7.683 8.743 ( -5.499 0.084 -0.794) 5.557 10.097 ( -0.642 0.291 14.557) 14.574 10.744 ( -1.773 0.813 -6.034) 6.341 10.927 ( -2.267 -0.547 8.234) 8.558 11.771 ( -4.174 -1.261 7.294) 8.498 12.184 ( -0.105 -1.702 -3.929) 4.283 12.234 ( 2.203 -14.560 6.243) 15.994 13.162 ( -10.646 9.013 -14.710) 20.272 16.187 ( 2.855 5.961 -8.187) 10.522 16.540 ( 3.479 -5.016 -9.750) 11.503 ======================= Grid point 438 (142/200) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -0.257 -2.912 8.358) 8.854 2.690 ( -5.227 2.192 0.932) 5.744 2.906 ( -1.935 1.728 8.219) 8.619 4.310 ( 0.589 -7.251 9.670) 12.101 4.714 ( 0.259 2.214 14.632) 14.801 5.086 ( -4.734 -5.403 13.998) 15.734 5.284 ( -5.780 -5.969 -0.173) 8.310 6.327 ( 6.805 7.371 4.448) 10.974 6.707 ( 1.710 2.192 0.914) 2.926 6.895 ( 3.112 4.442 16.639) 17.500 7.180 ( -6.624 -6.435 0.037) 9.235 7.818 ( -1.013 2.209 -2.887) 3.774 8.183 ( -1.731 8.769 -5.340) 10.412 8.566 ( 0.651 -8.332 -2.193) 8.640 8.744 ( 2.185 -3.542 3.564) 5.479 10.135 ( 2.732 -3.669 16.043) 16.683 10.676 ( -3.398 2.680 -1.139) 4.475 10.888 ( -3.665 -0.930 2.905) 4.769 11.757 ( -0.619 -2.423 9.216) 9.550 12.177 ( -0.845 0.617 -4.479) 4.599 12.499 ( 2.201 -22.646 2.149) 22.854 12.920 ( -6.277 7.524 -12.256) 15.691 16.145 ( 1.127 6.458 -8.059) 10.389 16.638 ( 2.970 -2.196 -11.103) 11.701 ======================= Grid point 439 (143/200) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -0.257 -0.459 9.024) 9.039 2.583 ( -3.851 2.242 5.286) 6.914 2.856 ( -1.490 1.110 10.447) 10.610 4.428 ( 1.449 -8.917 9.799) 13.328 4.720 ( 0.509 -1.908 14.977) 15.107 5.080 ( -3.275 -4.462 15.958) 16.891 5.289 ( -2.466 -6.599 -0.675) 7.077 6.312 ( 3.607 9.774 3.558) 11.010 6.685 ( 0.092 3.801 1.245) 4.001 6.871 ( 2.031 6.428 19.888) 21.000 7.204 ( -3.178 -11.012 -2.431) 11.716 7.722 ( -3.977 5.869 -11.125) 13.192 8.091 ( 1.133 6.051 -4.733) 7.765 8.656 ( 0.149 -6.451 -1.355) 6.594 8.851 ( 2.728 -5.460 7.901) 9.984 10.259 ( 3.550 -7.376 17.301) 19.140 10.590 ( -2.590 2.722 1.657) 4.107 10.832 ( -3.601 -0.439 -2.436) 4.370 11.785 ( 0.963 -0.857 12.108) 12.177 12.147 ( -1.104 1.400 -8.745) 8.924 12.719 ( -1.790 0.203 -8.839) 9.020 12.896 ( 1.228 -24.215 1.591) 24.298 16.079 ( 0.090 6.186 -7.772) 9.934 16.681 ( 1.665 1.675 -11.369) 11.611 ======================= Grid point 440 (144/200) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.000 2.378 7.918) 8.268 2.524 ( 0.000 2.187 8.910) 9.174 2.846 ( -0.000 -1.757 15.432) 15.532 4.549 ( -0.000 -9.031 11.524) 14.641 4.762 ( -0.000 -3.383 13.413) 13.833 5.089 ( -0.000 -2.721 18.131) 18.334 5.353 ( -0.000 -7.317 -0.226) 7.320 6.221 ( 0.000 10.365 1.766) 10.514 6.631 ( 0.000 4.765 2.768) 5.511 6.819 ( 0.000 5.264 19.626) 20.319 7.311 ( -0.000 -10.076 -5.185) 11.332 7.618 ( 0.000 3.355 -14.499) 14.883 8.035 ( 0.000 6.268 -5.699) 8.471 8.736 ( -0.000 -6.475 0.138) 6.477 8.924 ( -0.000 -2.458 11.281) 11.546 10.394 ( -0.000 -9.264 17.919) 20.172 10.542 ( 0.000 1.333 3.276) 3.537 10.802 ( -0.000 -0.220 -6.871) 6.874 11.791 ( 0.000 1.481 13.161) 13.244 12.116 ( 0.000 1.926 -10.674) 10.847 12.655 ( 0.000 4.971 -7.630) 9.107 13.280 ( -0.000 -34.192 2.833) 34.309 16.011 ( 0.000 5.089 -7.264) 8.870 16.650 ( 0.000 5.863 -10.677) 12.181 ======================= Grid point 445 (145/200) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 0.183 -0.000 6.247) 6.250 2.797 ( -3.496 0.000 1.137) 3.676 2.950 ( 1.037 -0.000 6.510) 6.592 4.208 ( -3.543 0.000 10.657) 11.231 4.898 ( 1.785 -0.000 15.896) 15.996 5.016 ( -12.749 0.000 9.395) 15.837 5.257 ( -5.897 0.000 -1.869) 6.186 6.317 ( 9.562 -0.000 5.131) 10.851 6.686 ( 4.727 -0.000 3.246) 5.734 6.885 ( 1.367 -0.000 9.728) 9.824 7.237 ( -5.739 0.000 3.918) 6.949 7.886 ( -2.554 0.000 4.852) 5.483 8.188 ( 8.660 -0.000 1.946) 8.877 8.497 ( 4.329 -0.000 -6.304) 7.648 8.728 ( -12.297 0.000 -3.993) 12.929 10.109 ( -2.116 0.000 15.790) 15.931 10.753 ( -0.263 0.000 -8.962) 8.966 10.920 ( -2.892 0.000 9.385) 9.821 11.744 ( -8.426 0.000 7.620) 11.361 12.033 ( 5.244 -0.000 3.924) 6.550 12.194 ( 0.082 -0.000 -0.076) 0.112 13.273 ( -13.364 0.000 -17.045) 21.659 16.308 ( 5.325 -0.000 -11.144) 12.351 16.427 ( 2.505 -0.000 -6.608) 7.067 ======================= Grid point 446 (146/200) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.031 -2.243 8.660) 8.946 2.717 ( -5.534 0.308 0.419) 5.559 2.960 ( 0.927 1.787 2.638) 3.319 4.188 ( -0.727 -2.770 9.443) 9.868 4.790 ( -6.691 3.756 13.793) 15.784 4.962 ( -1.775 -4.762 15.787) 16.585 5.180 ( -4.916 -2.320 -2.246) 5.882 6.446 ( 7.633 2.558 4.338) 9.144 6.745 ( 2.823 0.937 1.386) 3.281 6.901 ( -0.057 -1.862 6.374) 6.640 7.151 ( -3.982 1.507 12.434) 13.143 7.872 ( 1.897 1.883 0.020) 2.673 8.326 ( 4.981 -0.079 2.740) 5.685 8.456 ( -5.687 3.663 -7.374) 10.006 8.619 ( -2.991 -6.850 -2.852) 8.000 10.091 ( -0.025 -0.543 18.586) 18.594 10.737 ( -0.994 1.935 -6.193) 6.564 10.861 ( -4.462 -1.112 6.824) 8.228 11.669 ( -2.960 -3.547 8.510) 9.683 12.146 ( 3.557 -5.853 1.580) 7.029 12.190 ( -0.630 -0.539 -1.658) 1.854 13.054 ( -10.030 3.137 -16.640) 19.681 16.320 ( 2.970 7.716 -10.166) 13.104 16.525 ( 2.843 -6.559 -9.537) 11.919 ======================= Grid point 447 (147/200) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -0.041 -3.286 10.633) 11.129 2.624 ( -4.180 1.062 1.821) 4.681 2.931 ( 0.036 4.141 1.674) 4.466 4.244 ( 0.777 -6.103 8.453) 10.455 4.685 ( -3.727 -0.892 16.012) 16.465 4.989 ( -0.580 -2.949 16.356) 16.629 5.155 ( -2.763 -4.340 -2.363) 5.661 6.498 ( 4.259 5.586 4.095) 8.131 6.757 ( 0.933 2.196 0.095) 2.388 6.942 ( 0.747 -4.329 4.584) 6.350 7.066 ( -2.992 3.011 16.838) 17.365 7.870 ( 1.850 5.784 -5.197) 7.993 8.221 ( -4.450 5.364 -4.724) 8.420 8.500 ( 1.836 -6.034 -0.856) 6.365 8.686 ( -0.138 -7.929 0.655) 7.957 10.129 ( 1.513 -3.562 20.472) 20.835 10.674 ( -1.744 3.902 -0.277) 4.283 10.812 ( -3.206 -1.365 -0.031) 3.485 11.709 ( 0.451 -5.182 11.822) 12.915 12.166 ( -1.000 0.375 -8.774) 8.839 12.314 ( 1.704 -14.018 2.401) 14.324 12.887 ( -4.932 3.868 -13.857) 15.208 16.255 ( 1.105 8.471 -9.399) 12.701 16.636 ( 1.782 -5.054 -11.311) 12.516 ======================= Grid point 448 (148/200) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.000 -2.618 10.905) 11.215 2.571 ( 0.000 1.623 4.191) 4.495 2.878 ( 0.000 4.036 4.557) 6.087 4.339 ( -0.000 -8.179 8.677) 11.924 4.682 ( -0.000 -3.063 16.088) 16.377 5.016 ( -0.000 -2.900 16.322) 16.578 5.193 ( -0.000 -5.915 -1.907) 6.215 6.451 ( 0.000 8.255 3.775) 9.078 6.729 ( 0.000 3.373 0.374) 3.393 6.968 ( 0.000 6.689 23.591) 24.520 7.048 ( -0.000 -9.938 -2.497) 10.247 7.784 ( 0.000 8.874 -10.452) 13.711 8.148 ( 0.000 3.073 -3.557) 4.701 8.582 ( -0.000 -5.990 -1.629) 6.208 8.788 ( -0.000 -8.329 4.522) 9.477 10.207 ( -0.000 -6.321 20.541) 21.491 10.609 ( 0.000 3.961 1.676) 4.301 10.793 ( -0.000 -0.584 -3.358) 3.408 11.770 ( -0.000 -3.471 14.064) 14.486 12.149 ( 0.000 0.835 -11.441) 11.471 12.542 ( -0.000 -21.561 1.885) 21.643 12.805 ( 0.000 2.821 -10.894) 11.253 16.165 ( 0.000 7.875 -8.670) 11.713 16.694 ( -0.000 -1.996 -11.779) 11.947 ======================= Grid point 455 (149/200) ======================= q-point: ( 0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.029 -0.000 10.555) 10.555 2.635 ( -4.014 0.000 0.499) 4.045 2.991 ( 0.989 -0.000 -1.404) 1.717 4.167 ( 0.131 -0.000 8.296) 8.297 4.676 ( -6.212 0.000 16.553) 17.680 4.951 ( 1.172 -0.000 16.413) 16.455 5.101 ( -2.898 0.000 -2.812) 4.038 6.565 ( 4.596 -0.000 4.189) 6.219 6.784 ( 1.128 -0.000 0.206) 1.147 6.872 ( -1.067 0.000 -0.357) 1.125 7.122 ( -1.417 0.000 22.605) 22.649 7.951 ( 5.490 -0.000 -2.353) 5.973 8.320 ( -10.869 0.000 -6.904) 12.876 8.410 ( 4.280 -0.000 2.952) 5.199 8.553 ( -0.247 0.000 -3.768) 3.776 10.088 ( 0.245 -0.000 21.762) 21.763 10.747 ( -0.127 0.000 -7.707) 7.708 10.773 ( -4.093 0.000 7.339) 8.403 11.624 ( 0.084 -0.000 10.463) 10.464 12.162 ( 2.158 -0.000 2.619) 3.394 12.171 ( -1.124 0.000 -8.377) 8.453 12.935 ( -5.922 0.000 -15.460) 16.555 16.439 ( 2.199 -0.000 -13.683) 13.859 16.491 ( 1.112 -0.000 -7.478) 7.560 ======================= Grid point 457 (150/200) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.000 -2.137 11.366) 11.565 2.597 ( 0.000 0.561 1.096) 1.232 2.980 ( 0.000 3.144 -1.827) 3.637 4.191 ( -0.000 -3.682 7.854) 8.674 4.631 ( -0.000 -1.148 17.548) 17.585 4.968 ( -0.000 -1.043 16.819) 16.851 5.091 ( -0.000 -2.410 -3.188) 3.996 6.587 ( 0.000 3.003 4.260) 5.212 6.785 ( 0.000 1.231 -0.441) 1.307 6.884 ( -0.000 -3.647 -2.169) 4.243 7.093 ( 0.000 3.050 25.349) 25.531 7.982 ( 0.000 6.263 -4.283) 7.587 8.196 ( 0.000 1.307 -6.509) 6.639 8.469 ( -0.000 -3.149 1.876) 3.665 8.590 ( -0.000 -6.491 -2.090) 6.819 10.104 ( -0.000 -2.246 22.701) 22.812 10.704 ( 0.000 3.537 1.162) 3.723 10.768 ( -0.000 -1.760 -2.122) 2.757 11.655 ( -0.000 -4.220 12.568) 13.257 12.159 ( 0.000 0.118 -11.648) 11.649 12.214 ( -0.000 -5.926 2.229) 6.332 12.875 ( 0.000 1.753 -13.936) 14.046 16.370 ( 0.000 8.992 -10.738) 14.006 16.577 ( -0.000 -7.212 -10.804) 12.990 ======================= Grid point 498 (151/200) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.000 0.000 5.167) 5.167 2.650 ( 0.000 0.000 5.119) 5.119 3.444 ( 0.000 0.000 18.788) 18.788 5.074 ( 0.000 0.000 12.516) 12.516 5.100 ( 0.000 0.000 10.295) 10.295 5.599 ( 0.000 0.000 19.251) 19.251 5.615 ( 0.000 0.000 -0.031) 0.031 5.739 ( 0.000 0.000 -8.610) 8.610 6.597 ( 0.000 0.000 5.470) 5.470 6.906 ( 0.000 0.000 -18.515) 18.515 6.963 ( 0.000 0.000 8.740) 8.740 7.605 ( 0.000 0.000 -8.667) 8.667 7.784 ( 0.000 0.000 -4.470) 4.470 8.966 ( 0.000 0.000 2.034) 2.034 9.249 ( 0.000 0.000 20.042) 20.042 10.463 ( 0.000 0.000 -17.979) 17.979 10.791 ( 0.000 0.000 12.304) 12.304 11.065 ( 0.000 0.000 15.194) 15.194 11.826 ( 0.000 0.000 -12.182) 12.182 11.853 ( 0.000 0.000 7.487) 7.487 12.462 ( 0.000 0.000 -1.405) 1.405 14.372 ( 0.000 0.000 -5.366) 5.366 15.793 ( 0.000 0.000 -4.299) 4.299 16.189 ( 0.000 0.000 -2.722) 2.722 ======================= Grid point 499 (152/200) ======================= q-point: ( 0.11 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -0.591 -2.161 4.685) 5.193 2.673 ( 2.643 0.233 4.530) 5.249 3.405 ( -1.676 3.819 18.024) 18.500 4.998 ( -5.515 2.894 10.031) 11.807 5.092 ( 0.248 3.123 12.376) 12.767 5.553 ( -0.563 5.182 4.430) 6.841 5.623 ( 4.313 4.458 4.469) 7.645 5.811 ( -0.971 -10.932 1.021) 11.022 6.611 ( 2.373 1.995 2.170) 3.784 6.802 ( -7.689 -5.091 -2.814) 9.641 7.157 ( 13.088 -2.973 -2.231) 13.606 7.612 ( -2.667 -4.710 -8.211) 9.834 7.770 ( 2.893 6.111 -4.350) 8.040 8.880 ( -7.516 1.069 4.362) 8.756 9.277 ( 1.818 1.026 16.293) 16.426 10.456 ( 0.254 1.099 -16.792) 16.830 10.751 ( -4.880 0.194 11.314) 12.323 11.066 ( 3.739 4.026 15.051) 16.023 11.834 ( 0.632 0.310 -7.798) 7.829 11.892 ( 1.940 -4.215 3.580) 5.860 12.453 ( -1.772 -1.031 -1.679) 2.650 14.221 ( -6.916 14.580 -4.746) 16.821 15.811 ( 1.648 -0.720 -4.312) 4.672 16.228 ( 0.187 -5.503 -3.394) 6.469 ======================= Grid point 500 (153/200) ======================= q-point: ( 0.22 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -0.592 -4.002 3.583) 5.404 2.719 ( 3.482 1.169 2.923) 4.694 3.320 ( -1.661 4.882 15.634) 16.463 4.849 ( -5.813 5.532 7.195) 10.778 5.035 ( -1.896 4.000 13.210) 13.933 5.471 ( -2.016 4.684 1.303) 5.263 5.667 ( 6.522 3.253 2.284) 7.638 5.921 ( -1.207 -9.823 6.028) 11.589 6.615 ( 0.509 0.582 -2.581) 2.695 6.796 ( -1.669 -5.483 4.127) 7.063 7.426 ( 13.257 -4.118 -0.184) 13.883 7.622 ( -4.885 -7.174 -7.282) 11.329 7.750 ( 6.353 8.652 -4.567) 11.665 8.742 ( -8.047 -0.626 4.938) 9.463 9.233 ( -2.935 5.541 11.895) 13.447 10.439 ( -1.033 2.536 -12.810) 13.099 10.654 ( -4.180 0.404 9.356) 10.255 11.103 ( 5.001 2.432 13.924) 14.994 11.844 ( 1.052 0.185 -3.394) 3.558 11.997 ( 3.730 -4.730 0.076) 6.024 12.430 ( -3.491 -2.722 -2.771) 5.223 13.849 ( -10.422 21.863 -3.359) 24.452 15.859 ( 2.576 -1.034 -4.327) 5.141 16.301 ( -0.419 -6.468 -4.762) 8.042 ======================= Grid point 501 (154/200) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -0.167 -4.424 2.723) 5.197 2.744 ( 1.941 2.514 0.653) 3.243 3.259 ( 0.107 2.758 12.148) 12.458 4.696 ( -4.433 5.178 4.886) 8.386 4.947 ( -2.676 3.725 13.654) 14.404 5.388 ( -1.947 3.446 1.043) 4.093 5.752 ( 6.577 1.409 1.494) 6.890 5.992 ( -2.122 -6.760 7.669) 10.441 6.630 ( 0.380 -1.680 -2.061) 2.686 6.839 ( 0.407 -2.678 5.150) 5.819 7.593 ( 5.187 6.239 -0.383) 8.122 7.627 ( -4.186 -8.787 -4.039) 10.538 7.852 ( 12.728 -0.373 -4.169) 13.399 8.646 ( -5.788 -2.912 3.773) 7.497 9.060 ( -6.817 8.784 8.814) 14.188 10.339 ( -4.408 4.534 -3.178) 7.078 10.649 ( 1.116 -2.219 2.126) 3.269 11.156 ( 3.361 0.815 12.915) 13.370 11.866 ( 1.798 0.088 -0.284) 1.823 12.109 ( 3.922 -2.512 -1.510) 4.896 12.417 ( -3.611 -6.074 -6.068) 9.314 13.413 ( -9.847 21.385 -1.100) 23.569 15.913 ( 2.347 -0.836 -4.298) 4.967 16.356 ( -0.845 -4.511 -6.050) 7.594 ======================= Grid point 502 (155/200) ======================= q-point: ( 0.44 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.035 -2.061 2.607) 3.323 2.734 ( 0.390 1.512 -1.531) 2.187 3.249 ( 0.558 0.615 9.605) 9.641 4.599 ( -1.688 2.087 3.823) 4.672 4.878 ( -1.251 1.573 14.173) 14.314 5.335 ( -0.805 1.297 1.089) 1.875 5.828 ( 3.161 0.509 0.597) 3.257 6.017 ( -1.391 -2.728 9.296) 9.788 6.653 ( 0.227 -0.873 -1.285) 1.570 6.865 ( 0.288 -0.768 5.020) 5.086 7.577 ( 0.578 2.029 -4.598) 5.059 7.647 ( -0.866 -1.713 0.087) 1.922 8.060 ( 7.198 -1.884 -1.835) 7.663 8.632 ( -1.196 -4.487 0.658) 4.690 8.845 ( -5.530 7.381 9.078) 12.941 10.240 ( -2.038 1.988 0.533) 2.897 10.694 ( 0.950 -1.178 -0.400) 1.565 11.187 ( 1.041 0.166 12.785) 12.828 11.893 ( 1.145 0.035 1.632) 1.994 12.163 ( 0.993 -0.007 -1.093) 1.477 12.469 ( -0.241 -6.302 -13.129) 14.565 13.077 ( -4.863 11.422 3.482) 12.893 15.948 ( 0.957 -0.310 -4.235) 4.353 16.381 ( -0.436 -1.571 -6.842) 7.033 ======================= Grid point 508 (156/200) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.784 0.000 3.812) 3.892 2.734 ( 4.207 -0.000 3.638) 5.562 3.383 ( -3.541 0.000 17.102) 17.464 4.903 ( -7.420 0.000 11.322) 13.536 5.112 ( -0.375 0.000 11.937) 11.943 5.555 ( -2.959 0.000 -0.114) 2.961 5.651 ( -4.954 0.000 -6.119) 7.873 5.816 ( 9.992 -0.000 13.288) 16.626 6.645 ( -5.945 0.000 -4.434) 7.417 6.709 ( 6.117 -0.000 6.102) 8.640 7.374 ( 14.882 -0.000 -2.080) 15.027 7.521 ( -4.723 0.000 -8.245) 9.502 7.877 ( 5.568 -0.000 -4.626) 7.239 8.721 ( -11.034 0.000 7.679) 13.443 9.302 ( -0.977 0.000 11.668) 11.709 10.472 ( 0.938 -0.000 -15.969) 15.997 10.659 ( -6.471 0.000 10.305) 12.168 11.140 ( 2.747 -0.000 15.171) 15.418 11.878 ( 1.627 -0.000 6.726) 6.920 11.897 ( 4.477 -0.000 -9.705) 10.688 12.398 ( -4.225 0.000 -1.520) 4.490 14.132 ( -13.734 0.000 -5.700) 14.870 15.849 ( 3.182 -0.000 -4.310) 5.357 16.205 ( 0.963 -0.000 -2.982) 3.134 ======================= Grid point 509 (157/200) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -0.183 -2.439 2.821) 3.734 2.794 ( 3.466 1.283 2.042) 4.222 3.307 ( -3.951 1.156 14.658) 15.225 4.766 ( -8.080 1.038 10.120) 12.992 5.073 ( -0.633 5.078 10.929) 12.067 5.463 ( -4.330 3.140 -0.921) 5.428 5.618 ( -5.463 -8.057 -3.624) 10.387 5.976 ( 9.741 1.658 11.150) 14.898 6.584 ( -1.879 -1.283 -2.740) 3.561 6.821 ( 6.478 0.002 6.676) 9.302 7.455 ( -5.793 -3.733 -7.551) 10.223 7.632 ( 14.097 -1.249 0.377) 14.157 7.956 ( 8.168 5.176 -5.101) 10.933 8.553 ( -10.841 -3.391 8.325) 14.083 9.219 ( -6.436 3.779 7.051) 10.268 10.458 ( -1.807 4.742 -7.519) 9.071 10.578 ( -2.724 -3.468 3.908) 5.892 11.172 ( 1.577 0.329 13.465) 13.561 11.893 ( 2.755 2.292 2.724) 4.501 12.020 ( 5.756 -4.278 -3.385) 7.930 12.316 ( -6.785 -2.040 -1.893) 7.334 13.808 ( -16.799 9.786 -5.945) 20.330 15.908 ( 3.845 0.197 -4.455) 5.888 16.246 ( 1.048 -3.462 -3.806) 5.250 ======================= Grid point 510 (158/200) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.822 -4.073 2.464) 4.831 2.803 ( 0.720 3.260 0.056) 3.339 3.246 ( -2.994 -0.699 11.216) 11.630 4.627 ( -7.110 0.448 7.881) 10.624 4.987 ( -0.578 6.759 10.572) 12.561 5.366 ( -3.836 1.363 0.143) 4.074 5.635 ( -6.746 -11.153 -1.006) 13.073 6.094 ( 8.989 4.333 9.327) 13.659 6.602 ( 0.759 -2.249 -1.879) 3.028 6.909 ( 5.772 2.468 6.856) 9.296 7.411 ( -6.672 -6.161 -6.326) 11.068 7.806 ( 8.584 5.393 3.268) 10.651 8.065 ( 10.996 2.570 -5.474) 12.549 8.464 ( -7.473 -7.775 7.249) 12.995 9.022 ( -9.280 5.913 3.742) 11.623 10.336 ( -3.288 5.592 0.931) 6.553 10.626 ( 0.895 -4.268 -1.892) 4.754 11.187 ( 0.222 -0.310 12.196) 12.202 11.910 ( 1.834 1.850 2.406) 3.546 12.156 ( 3.940 -1.125 -1.064) 4.233 12.254 ( -5.006 -8.598 -4.001) 10.723 13.399 ( -15.616 12.173 -5.378) 20.517 15.960 ( 3.104 1.141 -4.538) 5.615 16.309 ( 1.178 -3.823 -5.267) 6.614 ======================= Grid point 511 (159/200) ======================= q-point: ( 0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 1.416 -3.363 2.996) 4.721 2.756 ( -1.189 2.982 -1.836) 3.699 3.215 ( -3.320 -2.210 8.945) 9.793 4.540 ( -4.280 -2.367 6.087) 7.808 4.919 ( 0.896 4.522 11.348) 12.249 5.309 ( -2.480 -0.730 0.747) 2.691 5.643 ( -8.595 -10.999 2.493) 14.180 6.174 ( 8.382 6.519 7.337) 12.907 6.638 ( 0.767 -1.031 -2.030) 2.402 6.956 ( 5.183 4.784 6.684) 9.717 7.377 ( -7.101 -7.454 -4.590) 11.272 7.833 ( 5.655 7.565 2.525) 9.777 8.149 ( 1.142 5.340 -2.793) 6.134 8.515 ( -0.079 -11.010 3.199) 11.466 8.831 ( -4.809 3.070 4.128) 7.042 10.254 ( 0.128 3.072 2.406) 3.904 10.676 ( -0.241 -2.573 -1.548) 3.012 11.182 ( -1.405 -0.345 12.408) 12.492 11.897 ( -1.665 0.480 1.271) 2.149 12.157 ( -1.297 -0.793 -1.643) 2.238 12.389 ( 3.322 -10.477 -6.414) 12.726 13.051 ( -11.194 7.071 -2.372) 13.451 15.977 ( 1.314 2.151 -4.608) 5.252 16.371 ( 1.837 -2.269 -6.539) 7.161 ======================= Grid point 512 (160/200) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 1.193 0.072 3.610) 3.802 2.710 ( -1.748 0.341 -1.613) 2.403 3.185 ( -3.915 -3.349 9.223) 10.564 4.550 ( -0.636 -6.212 5.015) 8.009 4.918 ( 2.825 1.011 12.082) 12.449 5.304 ( -1.041 -3.303 1.106) 3.636 5.606 ( -9.917 -8.845 5.283) 14.300 6.210 ( 6.928 9.063 5.271) 12.567 6.646 ( -0.198 0.394 -2.696) 2.732 6.970 ( 5.102 7.079 6.484) 10.871 7.361 ( -6.729 -9.601 -2.582) 12.005 7.834 ( 3.589 5.885 1.481) 7.050 7.982 ( -7.878 10.106 -3.338) 13.242 8.623 ( -0.212 -6.007 -1.541) 6.205 8.865 ( 5.697 -6.339 9.039) 12.424 10.274 ( 3.945 -0.555 1.391) 4.220 10.673 ( -1.977 -0.321 0.288) 2.024 11.142 ( -4.054 -0.317 12.478) 13.124 11.864 ( -1.957 -0.646 -1.104) 2.338 12.142 ( -1.532 0.483 -1.090) 1.941 12.524 ( 2.204 -0.943 -10.965) 11.224 12.947 ( -2.568 -12.956 3.247) 13.601 15.955 ( -0.393 2.804 -4.744) 5.525 16.418 ( 2.301 0.371 -7.082) 7.456 ======================= Grid point 513 (161/200) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 0.680 3.529 3.848) 5.265 2.686 ( -2.237 -1.279 0.875) 2.721 3.184 ( -2.287 -5.910 11.827) 13.418 4.657 ( 2.142 -9.236 4.880) 10.664 4.976 ( 3.353 -1.377 12.579) 13.091 5.348 ( -0.105 -5.462 1.647) 5.706 5.536 ( -9.318 -6.974 6.045) 13.115 6.187 ( 4.810 11.281 3.948) 12.883 6.625 ( -0.979 1.263 -3.689) 4.020 6.962 ( 5.430 8.493 6.249) 11.860 7.383 ( -5.459 -10.160 -0.074) 11.534 7.672 ( -12.850 5.892 -2.339) 14.328 7.844 ( 5.123 9.963 -4.323) 12.008 8.696 ( 1.936 -4.984 -0.102) 5.348 9.063 ( 5.687 -8.377 10.882) 14.864 10.375 ( 4.788 -2.272 -4.244) 6.790 10.643 ( -0.755 -0.441 5.395) 5.465 11.058 ( -6.761 -1.045 11.912) 13.737 11.851 ( -0.136 0.124 -4.720) 4.723 12.086 ( -2.781 2.586 1.244) 3.997 12.515 ( 1.382 3.928 -6.472) 7.696 13.228 ( 3.659 -27.930 0.515) 28.173 15.905 ( -1.262 2.994 -4.812) 5.806 16.432 ( 1.980 3.566 -6.858) 7.979 ======================= Grid point 514 (162/200) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 0.409 4.516 4.385) 6.308 2.661 ( -2.048 -0.742 3.179) 3.853 3.252 ( -0.073 -8.228 15.222) 17.304 4.820 ( 2.816 -10.490 5.888) 12.355 5.040 ( 1.756 -1.601 13.030) 13.245 5.419 ( -0.275 -6.045 4.261) 7.401 5.488 ( -5.305 -6.833 4.011) 9.535 6.103 ( 2.296 12.838 3.189) 13.426 6.594 ( -1.012 0.855 -3.729) 3.957 6.963 ( 6.990 8.145 5.173) 11.914 7.287 ( -10.841 6.354 0.227) 12.568 7.540 ( -4.040 -10.588 -5.016) 12.393 7.796 ( 2.806 9.601 -5.778) 11.551 8.803 ( 2.912 -5.791 1.092) 6.573 9.213 ( 2.214 -4.986 14.014) 15.038 10.432 ( 0.359 -0.347 -12.234) 12.244 10.712 ( 5.869 -3.652 11.248) 13.203 10.958 ( -7.805 -3.109 12.055) 14.694 11.849 ( 0.578 1.063 -9.479) 9.556 12.003 ( -2.093 4.170 5.694) 7.361 12.498 ( 1.117 2.664 -3.381) 4.447 13.649 ( 3.859 -30.637 -1.770) 30.930 15.850 ( -1.101 2.653 -4.717) 5.523 16.396 ( 0.955 6.652 -6.006) 9.012 ======================= Grid point 515 (163/200) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 0.000 3.741 4.879) 6.148 2.647 ( -0.000 -0.277 4.419) 4.428 3.350 ( -0.000 -7.376 17.462) 18.956 4.971 ( -0.000 -9.616 7.642) 12.283 5.066 ( -0.000 -0.747 12.712) 12.734 5.474 ( -0.000 -5.738 9.750) 11.313 5.535 ( -0.000 -6.315 0.252) 6.320 5.966 ( 0.000 13.015 1.733) 13.130 6.580 ( -0.000 -0.297 -1.227) 1.262 7.007 ( 0.000 4.057 10.385) 11.149 7.033 ( 0.000 9.026 -11.445) 14.575 7.645 ( -0.000 -10.605 -4.064) 11.357 7.712 ( 0.000 8.166 -7.329) 10.973 8.903 ( -0.000 -5.234 1.378) 5.412 9.256 ( -0.000 -0.615 17.585) 17.595 10.438 ( -0.000 -1.188 -14.968) 15.015 10.813 ( 0.000 1.517 10.557) 10.666 10.937 ( -0.000 -9.091 14.126) 16.798 11.841 ( 0.000 1.149 -12.528) 12.581 11.929 ( 0.000 4.909 8.505) 9.820 12.483 ( 0.000 1.740 -2.166) 2.778 14.028 ( -0.000 -26.131 -3.300) 26.338 15.813 ( 0.000 1.799 -4.505) 4.851 16.313 ( 0.000 8.079 -4.701) 9.347 ======================= Grid point 518 (164/200) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.888 -0.000 2.617) 2.764 2.848 ( 1.484 -0.000 0.696) 1.640 3.233 ( -5.058 0.000 12.306) 13.305 4.630 ( -8.496 0.000 10.351) 13.392 5.108 ( 0.364 -0.000 9.786) 9.793 5.407 ( -5.696 0.000 -3.070) 6.471 5.437 ( -7.657 0.000 -0.852) 7.704 6.150 ( 9.231 -0.000 9.149) 12.997 6.574 ( 1.777 -0.000 -2.281) 2.891 6.935 ( 6.044 -0.000 7.833) 9.894 7.343 ( -4.631 0.000 -6.282) 7.805 7.861 ( 13.598 -0.000 1.600) 13.692 8.133 ( 9.258 -0.000 -5.051) 10.546 8.340 ( -11.291 0.000 9.614) 14.829 9.094 ( -11.120 0.000 2.144) 11.324 10.450 ( -5.056 0.000 8.909) 10.243 10.531 ( 2.214 -0.000 -10.595) 10.824 11.180 ( -0.334 0.000 11.731) 11.736 11.966 ( 3.620 -0.000 4.734) 5.959 12.077 ( 1.986 -0.000 -1.723) 2.629 12.179 ( -5.700 0.000 -1.534) 5.903 13.555 ( -19.570 0.000 -8.714) 21.422 15.981 ( 4.437 -0.000 -5.213) 6.846 16.251 ( 1.753 -0.000 -3.673) 4.070 ======================= Grid point 519 (165/200) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 2.026 -2.392 3.276) 4.534 2.831 ( -1.725 2.321 -0.823) 3.007 3.161 ( -4.683 -1.690 9.004) 10.289 4.502 ( -7.056 -0.777 8.914) 11.395 5.065 ( -0.209 6.819 7.946) 10.473 5.303 ( -4.596 0.044 0.243) 4.602 5.383 ( -8.089 -9.565 0.743) 12.549 6.279 ( 8.325 2.281 7.292) 11.300 6.625 ( 3.483 -0.129 -2.210) 4.127 7.002 ( 1.687 -0.616 5.824) 6.095 7.302 ( -0.766 0.242 -2.139) 2.285 8.002 ( 5.263 7.342 4.868) 10.262 8.247 ( 0.085 -8.678 4.242) 9.660 8.267 ( 4.594 1.573 -1.679) 5.138 8.879 ( -12.758 0.868 -1.054) 12.831 10.357 ( -1.683 4.362 6.681) 8.155 10.591 ( 1.133 -3.700 -5.845) 7.010 11.169 ( -1.407 -0.573 11.155) 11.258 11.932 ( -5.905 2.732 0.395) 6.518 12.078 ( -0.920 -5.899 0.357) 5.981 12.218 ( 4.402 -2.077 1.923) 5.234 13.209 ( -17.954 4.193 -10.726) 21.330 16.038 ( 3.640 2.278 -5.808) 7.223 16.300 ( 2.106 -2.740 -4.687) 5.823 ======================= Grid point 520 (166/200) ======================= q-point: (-0.56 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 2.458 -3.299 4.551) 6.135 2.755 ( -3.347 2.551 -2.148) 4.725 3.111 ( -4.803 -2.636 6.899) 8.810 4.433 ( -3.959 -3.425 7.009) 8.748 4.986 ( 0.032 4.736 8.352) 9.601 5.246 ( -3.328 -1.475 0.114) 3.643 5.374 ( -7.643 -10.180 5.453) 13.849 6.373 ( 7.611 4.482 5.586) 10.451 6.669 ( 2.335 1.377 -2.714) 3.836 7.026 ( -1.135 -3.688 2.944) 4.854 7.287 ( 1.623 4.123 2.523) 5.099 7.941 ( -1.614 4.276 6.288) 7.773 8.241 ( -0.591 9.951 -2.699) 10.328 8.412 ( 2.907 -9.449 0.696) 9.911 8.740 ( -4.509 -5.364 0.525) 7.027 10.313 ( 2.179 3.276 6.056) 7.222 10.636 ( -0.577 -2.575 -3.029) 4.017 11.136 ( -3.647 -0.321 11.918) 12.468 11.825 ( -5.377 -2.436 -2.483) 6.404 12.133 ( 0.962 -1.438 -0.445) 1.787 12.331 ( 2.278 -8.441 2.939) 9.224 12.901 ( -13.010 3.208 -10.483) 17.013 16.043 ( 1.825 4.382 -5.894) 7.568 16.377 ( 2.581 -3.356 -6.249) 7.548 ======================= Grid point 521 (167/200) ======================= q-point: (-0.44 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 1.840 -1.576 5.455) 5.969 2.679 ( -3.004 0.770 -1.495) 3.443 3.068 ( -4.354 -3.510 7.139) 9.069 4.458 ( -0.587 -7.091 5.376) 8.918 4.966 ( 1.184 0.651 10.153) 10.243 5.231 ( -2.451 -4.195 -0.158) 4.861 5.359 ( -6.831 -7.525 7.971) 12.916 6.415 ( 5.820 7.513 4.159) 10.374 6.670 ( 0.752 2.461 -3.616) 4.438 7.064 ( -1.088 -6.087 1.703) 6.414 7.255 ( 2.282 6.370 5.441) 8.683 7.828 ( -7.200 5.752 3.652) 9.912 8.082 ( -0.207 9.984 -4.185) 10.827 8.535 ( 0.517 -7.386 -1.274) 7.513 8.842 ( 3.091 -10.356 5.412) 12.087 10.355 ( 5.438 0.673 4.356) 7.000 10.630 ( -2.118 -0.734 0.108) 2.244 11.050 ( -6.683 0.087 11.308) 13.136 11.820 ( 0.033 -3.187 -4.608) 5.603 12.124 ( -2.077 0.970 1.190) 2.583 12.500 ( 2.436 -11.556 -2.160) 12.006 12.736 ( -6.823 -5.562 -5.494) 10.377 16.002 ( 0.370 5.185 -5.875) 7.844 16.452 ( 2.395 -1.790 -7.261) 7.853 ======================= Grid point 522 (168/200) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 0.709 1.782 5.305) 5.642 2.641 ( -1.708 -0.752 0.935) 2.087 3.068 ( -2.140 -6.244 9.667) 11.706 4.569 ( 1.159 -10.078 4.678) 11.171 4.997 ( 1.189 -1.905 11.963) 12.172 5.266 ( -1.166 -6.733 0.152) 6.835 5.336 ( -4.631 -5.359 7.812) 10.545 6.383 ( 3.081 10.377 3.382) 11.341 6.642 ( -0.160 2.867 -4.686) 5.496 7.133 ( 2.060 -3.535 3.017) 5.083 7.228 ( 1.167 2.322 6.432) 6.937 7.577 ( -9.419 9.940 -2.168) 13.865 8.012 ( 2.158 7.602 -3.104) 8.490 8.629 ( 0.347 -7.827 -1.237) 7.932 9.025 ( 2.739 -10.802 8.479) 14.003 10.445 ( 4.539 0.955 -3.622) 5.885 10.616 ( -0.215 -3.048 8.213) 8.763 10.932 ( -6.874 0.119 9.782) 11.956 11.864 ( 1.762 -0.251 -9.241) 9.411 12.066 ( -2.655 1.118 5.915) 6.579 12.563 ( 0.349 2.069 -5.836) 6.201 12.909 ( -0.184 -29.036 -0.646) 29.044 15.941 ( -0.272 5.045 -5.680) 7.602 16.490 ( 1.414 0.980 -7.485) 7.681 ======================= Grid point 523 (169/200) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.000 3.954 4.897) 6.294 2.636 ( -0.000 -0.719 2.631) 2.727 3.144 ( -0.000 -8.833 13.080) 15.783 4.711 ( -0.000 -11.410 5.122) 12.507 5.033 ( -0.000 -2.061 12.891) 13.055 5.349 ( -0.000 -4.693 7.958) 9.238 5.351 ( -0.000 -8.426 -0.098) 8.426 6.273 ( 0.000 12.275 3.204) 12.686 6.607 ( 0.000 2.436 -4.961) 5.527 7.159 ( 0.000 8.407 13.693) 16.068 7.227 ( 0.000 0.107 -2.141) 2.144 7.403 ( -0.000 -1.689 -7.223) 7.418 7.933 ( 0.000 9.258 -4.369) 10.237 8.732 ( -0.000 -8.622 -0.345) 8.629 9.162 ( -0.000 -7.877 11.592) 14.015 10.448 ( 0.000 2.295 -9.718) 9.986 10.715 ( -0.000 -8.634 13.299) 15.856 10.848 ( 0.000 1.363 8.886) 8.990 11.871 ( 0.000 1.212 -13.138) 13.194 12.024 ( 0.000 2.430 9.648) 9.949 12.537 ( 0.000 2.588 -4.105) 4.853 13.292 ( -0.000 -33.451 -1.196) 33.473 15.882 ( 0.000 4.133 -5.252) 6.683 16.471 ( 0.000 4.206 -7.012) 8.177 ======================= Grid point 528 (170/200) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 2.781 -0.000 4.858) 5.597 2.791 ( -4.624 0.000 -1.422) 4.838 3.076 ( -4.075 0.000 5.633) 6.952 4.392 ( -5.254 0.000 7.819) 9.420 5.118 ( -0.997 0.000 3.759) 3.889 5.171 ( -7.935 0.000 5.829) 9.846 5.234 ( -3.082 0.000 2.010) 3.680 6.424 ( 7.723 -0.000 5.331) 9.385 6.690 ( 3.609 -0.000 -2.178) 4.215 6.961 ( -3.797 0.000 0.480) 3.827 7.361 ( 5.119 -0.000 6.271) 8.095 8.023 ( -7.094 0.000 7.868) 10.594 8.242 ( 9.396 -0.000 3.232) 9.936 8.412 ( 6.464 -0.000 -2.714) 7.011 8.641 ( -14.965 0.000 -4.423) 15.605 10.371 ( 0.432 -0.000 10.097) 10.106 10.589 ( 1.138 -0.000 -6.941) 7.034 11.130 ( -3.133 0.000 11.248) 11.676 11.785 ( -8.936 0.000 -2.611) 9.309 12.100 ( 4.028 -0.000 2.569) 4.777 12.246 ( 0.031 -0.000 4.509) 4.509 12.948 ( -15.226 0.000 -14.665) 21.140 16.117 ( 3.489 -0.000 -7.560) 8.327 16.314 ( 1.897 -0.000 -4.523) 4.905 ======================= Grid point 529 (171/200) ======================= q-point: (-0.56 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 2.576 -2.009 6.514) 7.287 2.701 ( -5.088 0.571 -1.681) 5.389 3.022 ( -3.245 -0.654 3.208) 4.610 4.340 ( -2.641 -2.613 5.899) 6.971 5.013 ( -3.140 3.373 7.338) 8.665 5.129 ( -5.651 -5.161 -0.442) 7.666 5.228 ( -0.323 -2.404 8.992) 9.313 6.531 ( 6.646 2.394 3.904) 8.071 6.726 ( 1.779 1.695 -2.417) 3.446 6.918 ( -3.742 -3.784 -0.977) 5.411 7.422 ( 5.043 4.510 10.517) 12.505 7.923 ( -3.211 2.273 5.000) 6.362 8.314 ( -8.169 9.596 -5.248) 13.651 8.399 ( 5.736 -3.427 2.308) 7.069 8.587 ( -0.620 -10.591 -0.530) 10.622 10.388 ( 3.159 1.409 10.399) 10.959 10.609 ( -0.032 -0.841 -4.924) 4.996 11.053 ( -6.243 0.066 11.328) 12.934 11.717 ( -1.361 -3.860 -3.843) 5.614 12.146 ( -0.368 1.246 1.532) 2.009 12.236 ( -2.858 -6.464 3.525) 7.897 12.744 ( -8.063 1.162 -13.851) 16.069 16.133 ( 1.991 4.891 -7.869) 9.477 16.371 ( 1.883 -3.927 -5.799) 7.252 ======================= Grid point 530 (172/200) ======================= q-point: (-0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 1.427 -2.344 7.308) 7.806 2.630 ( -2.924 -0.321 -0.848) 3.061 2.985 ( -2.133 -1.016 3.252) 4.020 4.369 ( -0.403 -6.317 4.327) 7.668 4.963 ( -1.258 -0.718 10.696) 10.793 5.116 ( -3.075 -5.535 -1.000) 6.410 5.248 ( -0.673 -2.134 9.335) 9.599 6.575 ( 4.029 5.643 3.321) 7.688 6.713 ( 0.176 2.802 -3.408) 4.416 6.932 ( -2.242 -7.040 -1.282) 7.499 7.424 ( 4.024 7.508 13.508) 15.970 7.814 ( -3.880 8.854 0.098) 9.667 8.125 ( -3.693 2.704 -4.343) 6.310 8.498 ( 2.141 -2.600 0.172) 3.372 8.733 ( 0.952 -12.820 3.276) 13.266 10.451 ( 5.090 -0.334 9.671) 10.933 10.596 ( -1.704 0.719 -2.420) 3.045 10.940 ( -6.145 0.383 9.527) 11.344 11.811 ( 4.907 -4.586 -5.244) 8.521 12.062 ( -6.856 -1.143 2.576) 7.413 12.337 ( -0.213 -13.499 -0.156) 13.502 12.648 ( -2.414 1.299 -9.593) 9.977 16.082 ( 0.604 6.617 -7.312) 9.880 16.448 ( 1.295 -3.993 -7.183) 8.319 ======================= Grid point 531 (173/200) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -0.000 -0.552 6.676) 6.699 2.615 ( -0.000 -0.971 0.530) 1.106 2.990 ( -0.000 -3.428 5.955) 6.871 4.462 ( -0.000 -9.161 3.944) 9.974 4.975 ( -0.000 -2.484 12.286) 12.535 5.165 ( -0.000 -6.973 -0.782) 7.017 5.265 ( -0.000 -2.346 8.500) 8.818 6.523 ( 0.000 8.617 3.215) 9.197 6.678 ( 0.000 3.141 -4.494) 5.483 7.013 ( -0.000 -9.821 -1.260) 9.901 7.371 ( 0.000 8.633 15.933) 18.122 7.627 ( 0.000 12.754 -5.029) 13.709 8.086 ( 0.000 2.543 -2.465) 3.541 8.554 ( -0.000 -4.941 -1.231) 5.092 8.901 ( -0.000 -13.288 5.821) 14.507 10.529 ( 0.000 3.865 -6.381) 7.460 10.555 ( -0.000 -4.825 13.703) 14.528 10.874 ( 0.000 0.827 8.336) 8.377 11.893 ( 0.000 0.583 -13.423) 13.436 12.021 ( -0.000 -3.285 10.876) 11.362 12.539 ( -0.000 -15.875 -1.744) 15.971 12.631 ( -0.000 -6.325 -6.647) 9.176 16.008 ( 0.000 6.397 -6.585) 9.180 16.496 ( -0.000 -1.923 -7.685) 7.922 ======================= Grid point 538 (174/200) ======================= q-point: ( 0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 1.603 -0.000 8.011) 8.170 2.625 ( -3.667 0.000 -1.277) 3.883 2.982 ( -1.486 0.000 0.397) 1.538 4.291 ( -1.209 0.000 4.379) 4.542 4.964 ( -3.727 0.000 11.509) 12.097 5.036 ( -1.979 0.000 -2.336) 3.062 5.226 ( 0.625 -0.000 9.567) 9.588 6.642 ( 4.750 -0.000 3.032) 5.635 6.753 ( 0.010 -0.000 -2.299) 2.299 6.844 ( -2.181 0.000 -1.332) 2.556 7.515 ( 2.779 -0.000 14.983) 15.238 7.926 ( 1.849 -0.000 0.229) 1.863 8.190 ( -11.062 0.000 -5.993) 12.581 8.470 ( 4.181 -0.000 2.887) 5.081 8.532 ( 0.982 -0.000 0.641) 1.173 10.446 ( 2.899 -0.000 13.560) 13.866 10.609 ( 0.224 -0.000 -5.632) 5.636 10.945 ( -6.011 0.000 9.658) 11.376 11.724 ( 5.224 -0.000 -2.094) 5.628 12.042 ( -10.560 0.000 -2.380) 10.824 12.201 ( 1.734 -0.000 1.303) 2.169 12.668 ( -2.549 0.000 -10.763) 11.060 16.198 ( 1.295 -0.000 -9.785) 9.870 16.363 ( 0.858 -0.000 -5.121) 5.193 ======================= Grid point 540 (175/200) ======================= q-point: (-0.44 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -0.000 -1.810 8.342) 8.536 2.596 ( -0.000 -0.481 -0.912) 1.031 2.967 ( 0.000 0.339 0.386) 0.514 4.304 ( -0.000 -3.702 3.715) 5.244 4.936 ( -0.000 -0.679 12.033) 12.052 5.039 ( -0.000 -3.218 -1.696) 3.637 5.234 ( -0.000 -0.481 9.604) 9.616 6.668 ( 0.000 3.334 3.543) 4.865 6.737 ( 0.000 1.567 -3.351) 3.699 6.849 ( -0.000 -3.745 -1.372) 3.988 7.519 ( 0.000 3.234 16.699) 17.009 7.910 ( 0.000 9.246 -2.752) 9.647 8.077 ( -0.000 -1.253 -4.992) 5.147 8.510 ( -0.000 -0.094 1.830) 1.833 8.599 ( -0.000 -9.874 2.114) 10.097 10.483 ( -0.000 -1.441 14.642) 14.713 10.601 ( 0.000 1.744 -5.540) 5.808 10.887 ( 0.000 0.273 8.300) 8.305 11.863 ( -0.000 -6.794 8.171) 10.626 11.900 ( 0.000 0.111 -13.385) 13.386 12.239 ( -0.000 -4.391 0.368) 4.406 12.644 ( 0.000 0.803 -8.828) 8.864 16.166 ( 0.000 5.996 -8.850) 10.690 16.405 ( -0.000 -4.658 -6.371) 7.893 ======================= Grid point 581 (176/200) ======================= q-point: ( 0.00 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.000 0.000 1.951) 1.951 2.699 ( 0.000 0.000 0.621) 0.621 3.715 ( 0.000 0.000 7.281) 7.281 5.235 ( 0.000 0.000 3.306) 3.306 5.312 ( 0.000 0.000 9.221) 9.221 5.582 ( 0.000 0.000 -2.942) 2.942 5.610 ( 0.000 0.000 -3.587) 3.587 5.867 ( 0.000 0.000 6.891) 6.891 6.632 ( 0.000 0.000 -7.590) 7.590 6.674 ( 0.000 0.000 1.968) 1.968 7.074 ( 0.000 0.000 2.581) 2.581 7.481 ( 0.000 0.000 -3.312) 3.312 7.718 ( 0.000 0.000 -1.769) 1.769 8.992 ( 0.000 0.000 0.617) 0.617 9.639 ( 0.000 0.000 17.556) 17.556 10.101 ( 0.000 0.000 -16.863) 16.863 11.026 ( 0.000 0.000 9.090) 9.090 11.292 ( 0.000 0.000 6.269) 6.269 11.590 ( 0.000 0.000 -9.179) 9.179 11.957 ( 0.000 0.000 2.690) 2.690 12.446 ( 0.000 0.000 -0.320) 0.320 14.284 ( 0.000 0.000 -2.677) 2.677 15.733 ( 0.000 0.000 -1.543) 1.543 16.151 ( 0.000 0.000 -0.975) 0.975 ======================= Grid point 582 (177/200) ======================= q-point: ( 0.11 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -1.259 -1.957 1.758) 2.917 2.713 ( 2.026 0.559 0.459) 2.151 3.665 ( -2.454 4.662 6.974) 8.740 5.135 ( -4.909 7.371 3.220) 9.424 5.312 ( -0.251 1.585 8.549) 8.698 5.545 ( -2.320 2.756 -2.323) 4.287 5.606 ( 0.571 -0.551 -2.406) 2.534 5.940 ( 2.894 -5.674 5.270) 8.267 6.548 ( -0.542 4.846 -4.762) 6.816 6.771 ( -0.051 -8.364 0.601) 8.386 7.192 ( 10.507 -4.023 2.101) 11.446 7.491 ( -2.638 -5.228 -3.361) 6.752 7.706 ( 2.787 5.829 -1.749) 6.693 8.929 ( -5.255 2.236 0.987) 5.795 9.605 ( -2.961 2.796 14.014) 14.593 10.129 ( 2.435 -1.444 -13.835) 14.121 10.950 ( -7.274 0.996 6.717) 9.951 11.324 ( 6.689 4.699 10.126) 13.014 11.601 ( 1.424 -0.033 -10.973) 11.065 11.989 ( 0.354 -4.317 2.740) 5.126 12.433 ( -1.944 -0.576 -0.416) 2.069 14.141 ( -6.881 13.183 -2.418) 15.066 15.752 ( 1.714 -0.619 -1.543) 2.388 16.181 ( 0.114 -4.246 -1.199) 4.414 ======================= Grid point 583 (178/200) ======================= q-point: ( 0.22 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -1.489 -3.774 1.296) 4.259 2.741 ( 2.486 1.789 0.038) 3.063 3.544 ( -3.220 6.652 6.009) 9.525 4.942 ( -5.657 9.195 2.116) 11.001 5.257 ( -2.512 3.448 7.893) 8.972 5.459 ( -3.125 3.511 -1.939) 5.085 5.658 ( 2.747 -3.283 -1.175) 4.439 6.052 ( 2.527 -4.869 4.461) 7.071 6.526 ( 1.124 -0.095 -3.826) 3.988 6.854 ( 0.682 -4.882 1.568) 5.173 7.467 ( 11.597 -7.287 2.535) 13.929 7.512 ( -2.364 -7.027 -3.260) 8.099 7.681 ( 5.212 8.777 -2.183) 10.439 8.799 ( -6.464 2.028 1.185) 6.878 9.459 ( -7.707 6.572 8.236) 13.055 10.199 ( 2.959 -1.304 -8.493) 9.088 10.808 ( -6.770 1.520 4.603) 8.326 11.382 ( 5.048 2.590 13.504) 14.648 11.646 ( 5.198 1.269 -12.542) 13.636 12.055 ( 0.665 -4.833 2.291) 5.389 12.395 ( -4.038 -1.359 -0.796) 4.334 13.792 ( -10.368 19.517 -1.747) 22.169 15.799 ( 2.691 -0.896 -1.536) 3.226 16.236 ( -0.501 -4.947 -1.665) 5.244 ======================= Grid point 584 (179/200) ======================= q-point: ( 0.33 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -0.680 -4.525 0.914) 4.666 2.738 ( 0.829 3.489 -0.542) 3.626 3.432 ( -1.623 4.710 4.565) 6.757 4.758 ( -4.387 6.997 1.421) 8.380 5.167 ( -2.640 3.541 7.499) 8.703 5.371 ( -2.691 2.818 -2.206) 4.478 5.756 ( 2.894 -4.313 -0.295) 5.202 6.131 ( 1.671 -2.530 4.586) 5.498 6.571 ( 1.749 -2.555 -2.502) 3.981 6.908 ( 0.970 -1.908 1.748) 2.763 7.497 ( -4.665 -4.328 -3.558) 7.290 7.646 ( 4.593 5.457 1.156) 7.225 7.819 ( 13.653 -6.292 -0.231) 15.035 8.687 ( -4.753 0.827 0.781) 4.887 9.221 ( -9.906 7.715 5.290) 13.625 10.226 ( 0.029 1.161 -4.624) 4.767 10.724 ( -2.458 -0.651 2.852) 3.821 11.424 ( 1.692 -0.309 12.446) 12.565 11.740 ( 7.833 1.881 -9.937) 12.792 12.115 ( 1.253 -2.498 0.960) 2.955 12.335 ( -5.646 -2.433 -1.888) 6.431 13.396 ( -9.354 17.568 -0.541) 19.910 15.853 ( 2.485 -0.737 -1.511) 3.000 16.273 ( -0.952 -3.368 -2.116) 4.090 ======================= Grid point 585 (180/200) ======================= q-point: ( 0.44 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -0.020 -2.318 0.892) 2.484 2.701 ( -0.259 2.242 -1.181) 2.548 3.384 ( -0.155 1.399 3.478) 3.753 4.649 ( -1.654 2.581 1.185) 3.286 5.104 ( -1.086 1.479 7.538) 7.758 5.315 ( -1.076 1.072 -2.448) 2.881 5.833 ( 1.206 -2.097 0.058) 2.420 6.168 ( 0.636 -0.636 4.644) 4.731 6.621 ( 0.790 -1.474 -1.253) 2.090 6.932 ( 0.427 -0.294 1.633) 1.713 7.469 ( -1.606 -0.562 -3.870) 4.227 7.653 ( 1.291 1.428 0.207) 1.936 8.070 ( 7.198 -3.557 1.133) 8.108 8.630 ( -1.598 -0.047 -0.260) 1.620 9.000 ( -5.923 4.262 4.753) 8.708 10.198 ( -0.722 1.018 -2.409) 2.714 10.720 ( -0.144 -0.779 1.459) 1.660 11.447 ( 0.350 -0.646 11.278) 11.302 11.831 ( 4.136 0.833 -6.882) 8.073 12.150 ( 1.140 0.095 -0.185) 1.159 12.281 ( -3.597 -2.167 -4.356) 6.051 13.125 ( -3.896 7.404 1.181) 8.450 15.890 ( 1.030 -0.278 -1.476) 1.821 16.287 ( -0.500 -1.148 -2.402) 2.709 ======================= Grid point 591 (181/200) ======================= q-point: ( 0.11 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -1.718 0.000 1.414) 2.225 2.762 ( 3.186 -0.000 0.159) 3.190 3.629 ( -5.006 0.000 6.608) 8.291 5.080 ( -7.060 0.000 5.047) 8.679 5.310 ( -1.619 0.000 7.568) 7.739 5.506 ( -4.457 0.000 -3.939) 5.948 5.556 ( -3.160 0.000 -2.760) 4.196 6.015 ( 8.052 -0.000 5.498) 9.750 6.526 ( -3.388 0.000 -4.590) 5.705 6.803 ( 7.274 -0.000 2.704) 7.761 7.383 ( 15.015 -0.000 1.133) 15.058 7.398 ( -4.714 0.000 -3.466) 5.851 7.809 ( 5.336 -0.000 -1.887) 5.660 8.815 ( -9.135 0.000 2.048) 9.362 9.539 ( -7.624 0.000 9.431) 12.127 10.185 ( 5.096 -0.000 -10.426) 11.605 10.825 ( -8.330 0.000 5.074) 9.754 11.414 ( 0.999 -0.000 11.330) 11.373 11.686 ( 8.397 -0.000 -10.272) 13.268 11.972 ( 1.012 -0.000 2.428) 2.630 12.378 ( -4.359 0.000 -0.459) 4.383 14.042 ( -14.036 0.000 -2.628) 14.280 15.789 ( 3.133 -0.000 -1.504) 3.476 16.163 ( 0.752 -0.000 -1.067) 1.305 ======================= Grid point 592 (182/200) ======================= q-point: ( 0.22 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -0.772 -2.277 1.021) 2.612 2.803 ( 2.331 1.561 -0.294) 2.821 3.518 ( -6.071 2.141 5.631) 8.552 4.918 ( -7.885 5.080 4.176) 10.268 5.255 ( -2.381 3.350 7.199) 8.289 5.414 ( -5.201 0.982 -3.919) 6.586 5.553 ( -3.693 -8.611 -2.033) 9.587 6.151 ( 8.730 1.587 5.341) 10.357 6.500 ( -0.883 -2.116 -3.682) 4.338 6.929 ( 8.294 1.651 3.370) 9.103 7.335 ( -6.094 -4.432 -3.665) 8.379 7.667 ( 15.902 -3.256 1.834) 16.335 7.878 ( 7.323 6.028 -2.402) 9.785 8.662 ( -9.598 -1.696 2.559) 10.077 9.353 ( -12.201 3.045 4.753) 13.444 10.269 ( 4.846 1.577 -6.436) 8.209 10.697 ( -6.738 -1.052 3.879) 7.845 11.407 ( -1.280 -0.725 8.300) 8.430 11.823 ( 9.955 4.300 -5.633) 12.220 12.027 ( 2.576 -4.270 1.532) 5.217 12.290 ( -6.939 -1.068 -0.677) 7.054 13.719 ( -17.726 7.956 -2.512) 19.591 15.847 ( 3.605 0.028 -1.537) 3.919 16.194 ( 0.777 -2.400 -1.339) 2.855 ======================= Grid point 593 (183/200) ======================= q-point: ( 0.33 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 1.021 -3.941 0.870) 4.163 2.788 ( -0.363 3.865 -0.790) 3.961 3.406 ( -5.118 0.497 4.219) 6.651 4.735 ( -6.630 4.253 2.725) 8.335 5.170 ( -2.188 3.713 7.463) 8.618 5.325 ( -4.430 0.137 -4.039) 5.996 5.616 ( -4.136 -11.933 -0.589) 12.643 6.254 ( 7.924 4.367 5.548) 10.613 6.536 ( 0.487 -3.604 -3.344) 4.940 7.023 ( 7.701 5.083 3.864) 10.004 7.298 ( -6.708 -7.080 -4.019) 10.549 7.868 ( 7.812 8.949 2.140) 12.070 7.990 ( 12.692 -1.869 -2.096) 12.999 8.561 ( -6.982 -4.884 2.328) 8.833 9.094 ( -13.239 3.185 2.546) 13.853 10.279 ( 1.602 5.120 -3.139) 6.216 10.657 ( -2.108 -4.103 2.109) 5.072 11.405 ( -0.899 -2.336 7.768) 8.162 11.890 ( 3.910 4.335 -3.233) 6.674 12.141 ( 5.016 -1.634 -0.241) 5.281 12.193 ( -6.309 -4.064 -1.403) 7.635 13.326 ( -16.829 7.838 -1.847) 18.656 15.898 ( 2.755 0.742 -1.585) 3.264 16.237 ( 0.857 -2.541 -1.827) 3.244 ======================= Grid point 594 (184/200) ======================= q-point: ( 0.44 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 2.190 -3.156 1.060) 3.985 2.719 ( -1.777 3.387 -1.274) 4.031 3.340 ( -4.296 -2.224 3.249) 5.827 4.620 ( -3.731 0.123 1.962) 4.218 5.111 ( -0.551 1.931 7.357) 7.626 5.274 ( -2.812 -1.936 -3.621) 4.977 5.677 ( -5.566 -11.236 0.887) 12.571 6.307 ( 6.652 7.202 4.729) 10.885 6.581 ( -0.084 -2.797 -2.650) 3.854 7.064 ( 6.593 7.856 3.722) 10.911 7.281 ( -6.484 -8.660 -3.911) 11.504 7.854 ( 6.374 11.169 0.099) 12.860 8.140 ( 2.102 2.295 0.659) 3.181 8.549 ( -2.804 -6.406 0.596) 7.019 8.914 ( -5.491 -2.936 2.810) 6.832 10.242 ( 1.798 4.495 -1.549) 5.083 10.687 ( -0.533 -3.423 1.179) 3.660 11.427 ( -0.412 -2.327 10.039) 10.314 11.837 ( -5.722 1.316 -5.939) 8.352 12.138 ( -0.894 -1.095 -0.244) 1.434 12.281 ( 5.853 -1.764 -2.812) 6.728 13.033 ( -11.792 -0.447 -0.162) 11.801 15.914 ( 0.871 1.688 -1.628) 2.502 16.281 ( 1.575 -1.502 -2.279) 3.151 ======================= Grid point 595 (185/200) ======================= q-point: (-0.44 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 1.891 0.835 1.197) 2.389 2.678 ( -1.016 -0.666 -1.118) 1.651 3.315 ( -3.569 -4.927 3.382) 6.961 4.616 ( -0.255 -4.875 1.597) 5.136 5.112 ( 1.498 -0.799 6.748) 6.958 5.280 ( -1.038 -4.454 -2.674) 5.298 5.684 ( -7.530 -8.039 2.077) 11.209 6.305 ( 5.175 9.479 3.331) 11.301 6.587 ( -1.637 -0.415 -2.305) 2.858 7.062 ( 6.011 9.696 2.682) 11.719 7.296 ( -5.636 -11.143 -2.764) 12.790 7.825 ( 5.839 10.972 -0.932) 12.464 7.992 ( -10.264 7.924 1.681) 13.075 8.600 ( -0.171 -6.213 -0.636) 6.248 9.007 ( 5.055 -10.083 4.119) 12.008 10.243 ( 3.145 2.781 -2.119) 4.703 10.711 ( -0.140 -1.938 1.802) 2.650 11.419 ( -3.540 -0.665 14.258) 14.706 11.718 ( -7.010 -0.811 -11.895) 13.831 12.147 ( 0.844 0.434 0.768) 1.221 12.379 ( 5.061 0.736 -3.303) 6.088 12.988 ( -4.043 -14.834 0.935) 15.404 15.889 ( -0.861 2.333 -1.693) 3.009 16.321 ( 2.154 0.345 -2.485) 3.307 ======================= Grid point 596 (186/200) ======================= q-point: (-0.33 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 1.401 4.021 1.254) 4.439 2.685 ( -1.153 -2.529 -0.367) 2.804 3.353 ( -1.138 -8.623 4.512) 9.799 4.719 ( 2.445 -9.069 1.452) 9.504 5.173 ( 2.801 -3.021 6.398) 7.610 5.339 ( 0.200 -6.350 -1.720) 6.582 5.625 ( -8.296 -4.910 2.403) 9.935 6.258 ( 3.626 10.746 2.469) 11.607 6.542 ( -2.647 1.446 -3.199) 4.396 7.040 ( 5.755 10.383 1.853) 12.015 7.359 ( -4.103 -12.939 -1.507) 13.657 7.685 ( -12.604 9.930 2.015) 16.172 7.783 ( 4.281 11.070 -1.963) 12.030 8.692 ( 1.814 -6.950 -0.165) 7.185 9.241 ( 6.332 -11.580 5.422) 14.269 10.254 ( 1.619 3.354 -4.529) 5.863 10.754 ( 2.960 -2.836 3.525) 5.407 11.322 ( -9.065 -1.796 13.193) 16.108 11.644 ( -2.428 0.335 -12.574) 12.811 12.144 ( 0.742 2.484 2.231) 3.420 12.433 ( 3.408 1.591 -1.856) 4.194 13.226 ( 2.036 -26.038 -0.292) 26.119 15.838 ( -1.616 2.514 -1.737) 3.457 16.337 ( 1.899 2.795 -2.411) 4.151 ======================= Grid point 597 (187/200) ======================= q-point: (-0.22 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 1.021 4.395 1.575) 4.779 2.687 ( -1.420 -1.621 0.196) 2.164 3.471 ( 0.774 -10.761 5.885) 12.289 4.892 ( 3.020 -11.539 1.568) 12.031 5.257 ( 2.226 -2.972 7.321) 8.209 5.428 ( 0.820 -6.930 -1.275) 7.094 5.553 ( -5.999 -4.257 1.496) 7.507 6.169 ( 1.638 11.793 2.312) 12.128 6.488 ( -1.888 0.307 -4.312) 4.717 7.008 ( 5.687 11.233 0.826) 12.618 7.359 ( -10.684 8.892 3.681) 14.379 7.467 ( -2.547 -12.101 -2.090) 12.541 7.706 ( 2.398 11.254 -2.765) 11.834 8.815 ( 2.362 -7.363 0.231) 7.736 9.457 ( 3.775 -9.844 8.299) 13.417 10.207 ( -0.773 5.019 -7.890) 9.383 10.888 ( 7.383 -4.546 5.177) 10.098 11.193 ( -10.359 -4.397 9.489) 14.721 11.616 ( -0.294 1.063 -10.146) 10.206 12.111 ( 0.289 4.636 3.107) 5.588 12.458 ( 1.716 1.378 -0.851) 2.360 13.611 ( 3.368 -29.070 -1.366) 29.296 15.784 ( -1.270 2.222 -1.713) 3.080 16.313 ( 0.922 5.295 -2.109) 5.774 ======================= Grid point 598 (188/200) ======================= q-point: (-0.11 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.000 3.445 1.828) 3.900 2.688 ( -0.000 -0.899 0.481) 1.020 3.602 ( -0.000 -9.042 6.752) 11.285 5.062 ( -0.000 -11.573 1.920) 11.731 5.298 ( -0.000 -1.277 8.597) 8.691 5.516 ( -0.000 -5.574 -2.056) 5.942 5.554 ( -0.000 -4.543 0.682) 4.594 6.039 ( 0.000 11.729 3.071) 12.124 6.489 ( -0.000 -3.287 -4.639) 5.685 6.928 ( 0.000 12.664 -1.065) 12.708 7.154 ( 0.000 6.483 3.969) 7.601 7.585 ( -0.000 -10.387 -1.613) 10.512 7.602 ( 0.000 9.382 -3.207) 9.914 8.921 ( -0.000 -5.955 0.404) 5.968 9.581 ( -0.000 -5.786 12.805) 14.052 10.141 ( 0.000 3.861 -12.211) 12.807 11.030 ( 0.000 0.305 8.602) 8.607 11.144 ( -0.000 -10.167 5.613) 11.614 11.602 ( 0.000 0.964 -9.103) 9.154 12.049 ( 0.000 5.758 3.171) 6.573 12.458 ( 0.000 0.995 -0.496) 1.112 13.968 ( -0.000 -24.414 -1.977) 24.494 15.750 ( 0.000 1.507 -1.633) 2.222 16.248 ( 0.000 6.420 -1.649) 6.628 ======================= Grid point 601 (189/200) ======================= q-point: ( 0.22 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 1.080 -0.000 0.954) 1.441 2.840 ( 0.425 -0.000 -0.684) 0.805 3.411 ( -7.703 0.000 4.726) 9.037 4.800 ( -9.388 0.000 5.328) 10.795 5.247 ( -2.538 0.000 4.398) 5.078 5.331 ( -4.333 0.000 -3.835) 5.786 5.417 ( -4.982 0.000 -0.777) 5.042 6.309 ( 8.383 -0.000 6.068) 10.348 6.492 ( 1.793 -0.000 -4.506) 4.850 7.082 ( 6.140 -0.000 6.508) 8.947 7.221 ( -2.808 0.000 -5.809) 6.452 7.911 ( 15.196 -0.000 2.392) 15.383 8.052 ( 9.003 -0.000 -2.794) 9.426 8.475 ( -10.587 0.000 3.481) 11.145 9.134 ( -15.910 0.000 1.367) 15.969 10.370 ( 5.042 -0.000 -4.544) 6.787 10.580 ( -5.445 0.000 3.572) 6.512 11.371 ( -1.740 0.000 5.948) 6.197 12.016 ( 5.092 -0.000 -2.813) 5.817 12.032 ( 2.632 -0.000 1.715) 3.142 12.161 ( -4.913 0.000 -0.393) 4.929 13.428 ( -21.684 0.000 -3.421) 21.953 15.910 ( 3.715 -0.000 -1.774) 4.117 16.200 ( 1.406 -0.000 -1.310) 1.921 ======================= Grid point 602 (190/200) ======================= q-point: ( 0.33 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 3.033 -2.242 1.198) 3.957 2.806 ( -2.527 2.668 -1.024) 3.815 3.291 ( -7.283 -1.467 3.436) 8.185 4.641 ( -8.156 0.986 4.083) 9.174 5.168 ( -3.565 1.959 2.846) 4.964 5.262 ( -2.929 2.062 -2.538) 4.390 5.414 ( -3.859 -9.621 1.217) 10.437 6.419 ( 6.591 1.972 6.410) 9.403 6.546 ( 3.683 -0.121 -5.094) 6.287 7.079 ( -5.280 -3.450 1.856) 6.574 7.274 ( 8.150 4.127 -0.576) 9.154 8.090 ( 7.024 7.470 3.526) 10.843 8.184 ( 10.240 2.019 -3.079) 10.882 8.369 ( -6.192 -7.767 3.330) 10.477 8.862 ( -15.865 -1.255 -0.470) 15.921 10.384 ( 2.205 6.699 -1.560) 7.223 10.570 ( -0.790 -5.990 1.584) 6.246 11.363 ( -0.586 -2.042 6.552) 6.888 11.890 ( -10.590 2.373 -2.895) 11.232 12.095 ( 1.490 -2.064 0.779) 2.663 12.239 ( 7.690 -1.072 0.376) 7.773 13.056 ( -20.980 1.155 -4.052) 21.398 15.958 ( 2.742 1.499 -2.045) 3.735 16.235 ( 1.681 -1.666 -1.630) 2.874 ======================= Grid point 603 (191/200) ======================= q-point: (-0.56 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 3.745 -2.883 1.614) 4.994 2.715 ( -3.493 2.911 -1.294) 4.727 3.209 ( -6.370 -3.725 2.601) 7.825 4.534 ( -4.995 -2.032 2.749) 6.053 5.113 ( -1.639 -0.239 4.534) 4.827 5.205 ( -2.474 -0.491 -3.014) 3.930 5.465 ( -4.231 -9.257 2.511) 10.484 6.483 ( 5.558 4.466 5.237) 8.847 6.593 ( 2.577 1.443 -4.453) 5.343 7.048 ( -5.506 -6.978 0.128) 8.890 7.330 ( 7.812 9.106 1.274) 12.065 8.043 ( 1.152 7.247 2.945) 7.907 8.197 ( -3.292 9.272 -1.156) 9.906 8.429 ( 0.139 -7.408 0.455) 7.423 8.756 ( -3.266 -10.857 0.671) 11.357 10.349 ( 3.297 5.869 -0.496) 6.750 10.633 ( 0.033 -4.617 1.134) 4.755 11.384 ( -1.492 -2.265 11.430) 11.747 11.693 ( -10.199 -0.812 -8.825) 13.512 12.144 ( 2.324 -0.529 0.704) 2.485 12.363 ( 5.304 -1.573 0.607) 5.566 12.758 ( -16.216 -4.768 -3.571) 17.276 15.960 ( 1.028 3.366 -2.161) 4.130 16.292 ( 2.143 -2.338 -2.147) 3.830 ======================= Grid point 604 (192/200) ======================= q-point: (-0.44 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 2.665 -0.529 1.777) 3.247 2.650 ( -2.001 -0.060 -1.003) 2.239 3.172 ( -4.797 -6.206 2.821) 8.336 4.531 ( -1.505 -6.529 1.868) 6.956 5.120 ( 0.563 -2.312 5.398) 5.899 5.199 ( -1.453 -4.040 -2.595) 5.017 5.479 ( -5.562 -6.635 3.202) 9.231 6.491 ( 4.200 7.958 3.163) 9.538 6.593 ( 0.516 2.853 -3.398) 4.467 7.067 ( -4.120 -9.851 -0.334) 10.683 7.325 ( 7.082 11.799 1.569) 13.850 7.914 ( -10.126 9.062 3.300) 13.983 8.020 ( 1.728 8.017 -1.870) 8.412 8.514 ( 0.450 -6.568 -0.664) 6.617 8.929 ( 3.267 -14.422 2.546) 15.005 10.352 ( 4.059 4.823 -1.527) 6.486 10.681 ( 0.760 -3.341 2.438) 4.206 11.302 ( -9.599 -0.195 12.539) 15.793 11.628 ( -1.074 -2.185 -11.745) 11.995 12.177 ( 1.526 0.506 2.103) 2.647 12.452 ( 3.493 -0.775 -1.558) 3.902 12.675 ( -8.842 -17.864 -1.297) 19.974 15.919 ( -0.229 4.273 -2.185) 4.805 16.352 ( 2.102 -1.444 -2.522) 3.587 ======================= Grid point 605 (193/200) ======================= q-point: (-0.33 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 1.127 2.720 1.676) 3.388 2.642 ( -0.863 -1.934 -0.294) 2.138 3.212 ( -1.823 -10.009 3.941) 10.911 4.628 ( 0.627 -10.345 1.387) 10.457 5.180 ( 1.902 -3.791 5.924) 7.286 5.249 ( -0.389 -6.923 -1.616) 7.120 5.447 ( -5.455 -4.239 2.855) 7.475 6.437 ( 2.394 10.272 1.747) 10.691 6.547 ( -0.742 4.003 -3.403) 5.306 7.145 ( -2.059 -11.770 -0.073) 11.949 7.300 ( 7.253 12.058 0.866) 14.099 7.612 ( -10.708 10.859 2.771) 15.500 7.966 ( 2.273 9.052 -1.323) 9.426 8.610 ( 0.409 -8.635 -0.541) 8.662 9.158 ( 2.726 -14.885 3.885) 15.623 10.342 ( 1.796 5.885 -3.551) 7.104 10.763 ( 3.767 -5.000 4.223) 7.551 11.139 ( -9.617 -0.751 8.590) 12.916 11.638 ( 0.358 0.491 -9.437) 9.457 12.184 ( 0.774 1.555 3.595) 3.993 12.489 ( 1.538 1.046 -1.714) 2.530 12.885 ( -1.810 -30.071 -1.080) 30.145 15.860 ( -0.569 4.236 -2.117) 4.770 16.387 ( 1.287 0.654 -2.622) 2.993 ======================= Grid point 606 (194/200) ======================= q-point: (-0.22 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 0.000 4.195 1.680) 4.519 2.657 ( -0.000 -1.720 0.105) 1.723 3.335 ( -0.000 -12.256 5.179) 13.305 4.773 ( -0.000 -12.194 1.350) 12.269 5.247 ( -0.000 -3.269 7.326) 8.022 5.340 ( -0.000 -8.351 -1.359) 8.461 5.439 ( -0.000 -4.333 1.749) 4.673 6.327 ( 0.000 11.734 1.584) 11.841 6.494 ( 0.000 3.119 -4.141) 5.184 7.227 ( 0.000 8.152 1.335) 8.261 7.299 ( -0.000 -8.156 -3.356) 8.820 7.357 ( 0.000 10.032 5.443) 11.413 7.864 ( 0.000 11.392 -2.124) 11.589 8.726 ( -0.000 -9.782 -0.185) 9.784 9.351 ( -0.000 -13.228 5.848) 14.463 10.276 ( 0.000 6.847 -5.532) 8.803 10.904 ( -0.000 -9.001 4.995) 10.294 11.038 ( 0.000 0.335 7.578) 7.586 11.629 ( 0.000 1.170 -8.850) 8.927 12.162 ( 0.000 3.269 3.670) 4.915 12.487 ( 0.000 1.302 -1.036) 1.664 13.259 ( -0.000 -33.146 -1.307) 33.172 15.808 ( 0.000 3.476 -1.942) 3.981 16.374 ( 0.000 3.306 -2.465) 4.124 ======================= Grid point 611 (195/200) ======================= q-point: ( 0.33 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 4.230 -0.000 1.763) 4.583 2.760 ( -4.829 0.000 -1.103) 4.953 3.160 ( -6.853 0.000 2.265) 7.218 4.512 ( -7.264 0.000 3.505) 8.066 5.100 ( -4.428 0.000 -1.803) 4.780 5.248 ( -4.875 0.000 1.850) 5.214 5.310 ( 1.240 -0.000 2.618) 2.897 6.523 ( 5.247 -0.000 4.189) 6.714 6.626 ( 4.700 -0.000 -3.498) 5.859 6.960 ( -5.587 0.000 -0.165) 5.590 7.451 ( 8.846 -0.000 2.341) 9.150 8.157 ( -8.141 0.000 4.202) 9.161 8.306 ( 8.885 -0.000 2.772) 9.307 8.367 ( 8.574 -0.000 -2.000) 8.804 8.564 ( -17.248 0.000 -2.576) 17.440 10.489 ( 2.206 -0.000 -2.647) 3.446 10.509 ( 1.235 -0.000 3.489) 3.701 11.347 ( -0.202 0.000 8.643) 8.646 11.686 ( -12.947 0.000 -5.613) 14.111 12.135 ( 3.217 -0.000 0.889) 3.338 12.340 ( 4.393 -0.000 3.783) 5.797 12.712 ( -19.543 0.000 -7.525) 20.942 16.012 ( 2.288 -0.000 -2.683) 3.526 16.251 ( 1.562 -0.000 -1.611) 2.244 ======================= Grid point 612 (196/200) ======================= q-point: (-0.56 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 3.833 -1.658 2.266) 4.751 2.668 ( -4.714 0.860 -1.086) 4.913 3.073 ( -5.219 -2.134 1.472) 5.827 4.424 ( -4.511 -2.330 2.262) 5.558 5.051 ( -2.758 -2.115 -0.726) 3.551 5.173 ( -2.885 0.245 2.488) 3.818 5.353 ( -0.030 -3.215 3.094) 4.462 6.596 ( 4.394 1.556 2.333) 5.212 6.675 ( 2.968 2.831 -2.144) 4.628 6.901 ( -4.181 -3.730 -0.483) 5.624 7.553 ( 7.707 5.806 2.972) 10.096 8.039 ( -5.138 0.753 5.079) 7.264 8.211 ( -10.459 9.864 -4.289) 15.003 8.437 ( 5.382 -0.542 1.036) 5.507 8.587 ( 1.962 -13.342 0.211) 13.488 10.472 ( 3.049 5.008 -0.553) 5.889 10.593 ( 1.969 -4.147 2.098) 5.048 11.299 ( -8.163 -0.207 12.422) 14.866 11.558 ( -1.531 -2.456 -10.544) 10.934 12.182 ( 2.084 0.177 1.100) 2.363 12.328 ( -10.209 -5.304 5.683) 12.832 12.508 ( -3.241 -0.637 -9.240) 9.812 16.021 ( 1.120 3.420 -2.950) 4.654 16.292 ( 1.499 -2.600 -1.971) 3.590 ======================= Grid point 613 (197/200) ======================= q-point: (-0.44 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 608 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 1.981 -1.323 2.351) 3.347 2.609 ( -2.139 -0.841 -0.785) 2.429 3.040 ( -2.972 -4.254 1.701) 5.461 4.426 ( -1.533 -6.286 1.380) 6.615 5.060 ( -1.132 -4.784 0.263) 4.923 5.154 ( -0.874 -2.269 3.180) 4.003 5.372 ( -1.277 -1.880 3.029) 3.786 6.621 ( 2.650 4.339 0.963) 5.175 6.657 ( 0.776 5.273 -1.446) 5.522 6.911 ( -2.274 -7.067 -0.594) 7.448 7.580 ( 7.423 10.001 2.879) 12.783 7.862 ( -9.462 9.851 2.915) 13.967 8.056 ( -1.726 -1.082 -2.182) 2.985 8.499 ( 2.125 -0.082 -0.050) 2.127 8.789 ( 1.607 -15.354 1.700) 15.532 10.466 ( 2.371 4.401 -1.819) 5.320 10.671 ( 2.729 -2.898 3.916) 5.584 11.134 ( -9.306 0.103 7.869) 12.187 11.626 ( 3.248 -1.633 -8.426) 9.177 12.180 ( -2.497 -3.404 6.141) 7.452 12.305 ( -4.985 -14.513 -3.032) 15.642 12.511 ( 0.952 0.271 -3.694) 3.824 15.977 ( 0.179 5.261 -2.815) 5.970 16.351 ( 1.064 -3.158 -2.441) 4.131 ======================= Grid point 614 (198/200) ======================= q-point: (-0.33 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.000 0.763 2.048) 2.185 2.611 ( -0.000 -1.936 -0.385) 1.973 3.086 ( -0.000 -7.759 2.800) 8.248 4.511 ( -0.000 -9.471 1.108) 9.535 5.121 ( -0.000 -6.650 1.386) 6.793 5.189 ( -0.000 -4.175 3.276) 5.307 5.371 ( -0.000 -1.387 2.441) 2.808 6.571 ( 0.000 8.639 1.274) 8.732 6.596 ( 0.000 4.664 -2.607) 5.343 6.994 ( -0.000 -10.069 -0.553) 10.084 7.569 ( 0.000 13.917 -1.169) 13.966 7.593 ( 0.000 9.257 5.765) 10.905 8.052 ( 0.000 2.310 -0.911) 2.483 8.534 ( -0.000 -4.120 -0.601) 4.163 8.992 ( -0.000 -16.289 2.642) 16.502 10.429 ( 0.000 5.542 -2.845) 6.230 10.745 ( -0.000 -4.462 4.877) 6.610 11.044 ( 0.000 0.173 6.579) 6.581 11.653 ( 0.000 0.790 -8.415) 8.452 12.197 ( -0.000 -0.708 5.710) 5.754 12.502 ( -0.000 -12.424 -1.154) 12.477 12.524 ( -0.000 -14.000 -3.773) 14.500 15.914 ( 0.000 5.311 -2.514) 5.876 16.391 ( -0.000 -1.732 -2.660) 3.175 ======================= Grid point 621 (199/200) ======================= q-point: ( 0.44 -0.56 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 2.342 -0.000 2.708) 3.580 2.599 ( -3.395 0.000 -0.884) 3.508 2.996 ( -2.654 0.000 0.591) 2.719 4.349 ( -2.474 0.000 1.427) 2.856 5.000 ( -1.509 0.000 -0.986) 1.803 5.124 ( -2.166 0.000 4.124) 4.658 5.353 ( 0.881 -0.000 3.098) 3.220 6.668 ( 2.907 -0.000 -0.211) 2.915 6.730 ( 1.387 -0.000 0.146) 1.395 6.826 ( -2.187 0.000 -0.452) 2.233 7.706 ( 6.489 -0.000 4.181) 7.720 7.967 ( -3.127 0.000 3.312) 4.554 8.083 ( -10.550 0.000 -4.418) 11.438 8.516 ( 3.515 -0.000 1.309) 3.751 8.549 ( 2.484 -0.000 0.653) 2.568 10.530 ( 0.478 -0.000 -2.079) 2.133 10.628 ( 4.699 -0.000 4.563) 6.549 11.136 ( -9.417 0.000 7.653) 12.135 11.591 ( 5.853 -0.000 -7.244) 9.313 12.057 ( -13.558 0.000 1.559) 13.647 12.217 ( 1.442 -0.000 0.384) 1.492 12.515 ( 1.140 -0.000 -4.095) 4.250 16.060 ( 0.680 -0.000 -3.595) 3.659 16.291 ( 0.717 -0.000 -1.825) 1.961 ======================= Grid point 623 (200/200) ======================= q-point: (-0.44 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -0.000 -1.231 2.727) 2.992 2.575 ( -0.000 -0.896 -0.757) 1.173 2.983 ( -0.000 -1.588 0.694) 1.733 4.351 ( -0.000 -3.655 1.080) 3.811 5.004 ( -0.000 -2.681 -0.628) 2.754 5.116 ( -0.000 -1.779 4.428) 4.773 5.360 ( 0.000 0.019 3.040) 3.040 6.681 ( 0.000 2.083 -1.635) 2.648 6.719 ( 0.000 3.522 1.361) 3.776 6.829 ( -0.000 -3.602 -0.501) 3.637 7.755 ( 0.000 3.683 6.404) 7.388 7.873 ( 0.000 9.844 -0.931) 9.888 8.001 ( -0.000 -3.057 -2.398) 3.886 8.535 ( 0.000 1.574 0.653) 1.704 8.641 ( -0.000 -11.084 1.374) 11.169 10.521 ( 0.000 2.066 -2.093) 2.941 10.683 ( -0.000 -1.065 5.105) 5.215 11.046 ( 0.000 0.031 5.932) 5.932 11.665 ( 0.000 0.261 -8.026) 8.030 11.982 ( -0.000 -10.669 3.362) 11.186 12.235 ( -0.000 -1.047 -0.495) 1.158 12.523 ( 0.000 0.201 -3.050) 3.056 16.038 ( 0.000 4.218 -3.416) 5.428 16.319 ( -0.000 -3.171 -2.132) 3.821 =================== 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 3/29160 10.0 951.027 2379.808 1304.547 0.000 0.000 0.000 3/29160 20.0 208.163 333.343 323.040 0.000 0.000 0.000 3/29160 30.0 94.362 129.008 161.704 0.000 0.000 0.000 3/29160 40.0 53.565 67.387 99.545 0.000 0.000 0.000 3/29160 50.0 35.017 41.015 68.435 0.000 0.000 0.000 3/29160 60.0 25.126 27.700 50.546 0.000 0.000 0.000 3/29160 70.0 19.233 20.200 39.330 0.000 0.000 0.000 3/29160 80.0 15.431 15.605 31.848 0.000 0.000 0.000 3/29160 90.0 12.826 12.598 26.609 0.000 0.000 -0.000 3/29160 100.0 10.954 10.524 22.789 0.000 0.000 -0.000 3/29160 110.0 9.555 9.030 19.908 0.000 0.000 -0.000 3/29160 120.0 8.476 7.915 17.672 0.000 0.000 -0.000 3/29160 130.0 7.620 7.057 15.892 0.000 0.000 -0.000 3/29160 140.0 6.927 6.379 14.446 0.000 0.000 -0.000 3/29160 150.0 6.354 5.831 13.249 0.000 0.000 -0.000 3/29160 160.0 5.872 5.380 12.243 0.000 0.000 -0.000 3/29160 170.0 5.462 5.001 11.384 0.000 0.000 -0.000 3/29160 180.0 5.108 4.679 10.644 0.000 0.000 -0.000 3/29160 190.0 4.800 4.401 9.999 0.000 0.000 -0.000 3/29160 200.0 4.528 4.158 9.431 0.000 0.000 -0.000 3/29160 210.0 4.287 3.943 8.927 0.000 0.000 -0.000 3/29160 220.0 4.072 3.753 8.476 0.000 0.000 -0.000 3/29160 230.0 3.878 3.581 8.071 0.000 0.000 -0.000 3/29160 240.0 3.702 3.427 7.705 0.000 0.000 -0.000 3/29160 250.0 3.543 3.286 7.372 0.000 0.000 -0.000 3/29160 260.0 3.397 3.158 7.067 0.000 0.000 -0.000 3/29160 270.0 3.263 3.040 6.788 0.000 0.000 -0.000 3/29160 280.0 3.140 2.931 6.530 0.000 0.000 -0.000 3/29160 290.0 3.025 2.830 6.292 0.000 0.000 -0.000 3/29160 300.0 2.920 2.736 6.072 0.000 0.000 -0.000 3/29160 310.0 2.821 2.649 5.866 0.000 0.000 -0.000 3/29160 320.0 2.729 2.567 5.675 0.000 0.000 -0.000 3/29160 330.0 2.643 2.491 5.496 0.000 0.000 -0.000 3/29160 340.0 2.563 2.418 5.328 0.000 0.000 -0.000 3/29160 350.0 2.487 2.351 5.171 0.000 0.000 -0.000 3/29160 360.0 2.416 2.287 5.022 0.000 0.000 -0.000 3/29160 370.0 2.349 2.226 4.882 0.000 0.000 -0.000 3/29160 380.0 2.285 2.169 4.750 0.000 0.000 -0.000 3/29160 390.0 2.225 2.114 4.625 0.000 0.000 -0.000 3/29160 400.0 2.168 2.063 4.506 0.000 0.000 -0.000 3/29160 410.0 2.114 2.013 4.394 0.000 0.000 -0.000 3/29160 420.0 2.063 1.966 4.287 0.000 0.000 -0.000 3/29160 430.0 2.014 1.922 4.185 0.000 0.000 -0.000 3/29160 440.0 1.967 1.879 4.088 0.000 0.000 -0.000 3/29160 450.0 1.923 1.838 3.996 0.000 0.000 -0.000 3/29160 460.0 1.880 1.799 3.907 0.000 0.000 -0.000 3/29160 470.0 1.839 1.762 3.823 0.000 0.000 -0.000 3/29160 480.0 1.800 1.726 3.742 0.000 0.000 -0.000 3/29160 490.0 1.763 1.691 3.664 0.000 0.000 -0.000 3/29160 500.0 1.727 1.658 3.590 0.000 0.000 -0.000 3/29160 510.0 1.693 1.626 3.519 0.000 0.000 -0.000 3/29160 520.0 1.660 1.596 3.450 0.000 0.000 -0.000 3/29160 530.0 1.628 1.566 3.384 0.000 0.000 -0.000 3/29160 540.0 1.598 1.538 3.321 0.000 0.000 -0.000 3/29160 550.0 1.569 1.510 3.260 0.000 0.000 -0.000 3/29160 560.0 1.540 1.484 3.201 0.000 0.000 -0.000 3/29160 570.0 1.513 1.458 3.144 0.000 0.000 -0.000 3/29160 580.0 1.487 1.433 3.089 0.000 0.000 -0.000 3/29160 590.0 1.461 1.410 3.036 0.000 0.000 -0.000 3/29160 600.0 1.437 1.387 2.985 0.000 0.000 -0.000 3/29160 610.0 1.413 1.364 2.936 0.000 0.000 -0.000 3/29160 620.0 1.390 1.343 2.888 0.000 0.000 -0.000 3/29160 630.0 1.368 1.322 2.842 0.000 0.000 -0.000 3/29160 640.0 1.346 1.301 2.797 0.000 0.000 -0.000 3/29160 650.0 1.325 1.282 2.754 0.000 0.000 -0.000 3/29160 660.0 1.305 1.262 2.712 0.000 0.000 -0.000 3/29160 670.0 1.285 1.244 2.671 0.000 0.000 -0.000 3/29160 680.0 1.266 1.226 2.631 0.000 0.000 -0.000 3/29160 690.0 1.248 1.208 2.593 0.000 0.000 -0.000 3/29160 700.0 1.230 1.191 2.556 0.000 0.000 -0.000 3/29160 710.0 1.213 1.175 2.520 0.000 0.000 -0.000 3/29160 720.0 1.196 1.159 2.484 0.000 0.000 -0.000 3/29160 730.0 1.179 1.143 2.450 0.000 0.000 -0.000 3/29160 740.0 1.163 1.128 2.417 0.000 0.000 -0.000 3/29160 750.0 1.148 1.113 2.384 0.000 0.000 -0.000 3/29160 760.0 1.132 1.098 2.353 0.000 0.000 -0.000 3/29160 770.0 1.118 1.084 2.322 0.000 0.000 -0.000 3/29160 780.0 1.103 1.071 2.292 0.000 0.000 -0.000 3/29160 790.0 1.089 1.057 2.263 0.000 0.000 -0.000 3/29160 800.0 1.075 1.044 2.235 0.000 0.000 -0.000 3/29160 810.0 1.062 1.031 2.207 0.000 0.000 -0.000 3/29160 820.0 1.049 1.019 2.180 0.000 0.000 -0.000 3/29160 830.0 1.036 1.007 2.154 0.000 0.000 -0.000 3/29160 840.0 1.024 0.995 2.128 0.000 0.000 -0.000 3/29160 850.0 1.012 0.983 2.103 0.000 0.000 -0.000 3/29160 860.0 1.000 0.972 2.078 0.000 0.000 -0.000 3/29160 870.0 0.989 0.961 2.054 0.000 0.000 -0.000 3/29160 880.0 0.977 0.950 2.031 0.000 0.000 -0.000 3/29160 890.0 0.966 0.940 2.008 0.000 0.000 -0.000 3/29160 900.0 0.956 0.929 1.985 0.000 0.000 -0.000 3/29160 910.0 0.945 0.919 1.964 0.000 0.000 -0.000 3/29160 920.0 0.935 0.909 1.942 0.000 0.000 -0.000 3/29160 930.0 0.925 0.900 1.921 0.000 0.000 -0.000 3/29160 940.0 0.915 0.890 1.901 0.000 0.000 -0.000 3/29160 950.0 0.905 0.881 1.881 0.000 0.000 -0.000 3/29160 960.0 0.896 0.872 1.861 0.000 0.000 -0.000 3/29160 970.0 0.886 0.863 1.842 0.000 0.000 -0.000 3/29160 980.0 0.877 0.854 1.823 0.000 0.000 -0.000 3/29160 990.0 0.868 0.846 1.804 0.000 0.000 -0.000 3/29160 1000.0 0.860 0.837 1.786 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m9915.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:59:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|