----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:44:04]------------------------- 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 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.155754045245396 -5.465423499999998 0.000000000000000 b 3.155754045245396 5.465423499999998 0.000000000000000 c -2.094708161047711 0.000000000000000 5.924936453294922 Atomic positions (fractional): *1 Sc 0.66729155399372 0.33270844600628 0.50000000000000 44.956 2 Sc 0.33270844600628 0.66729155399372 0.50000000000000 44.956 *3 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 *4 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 *5 S 0.41434022407848 0.08731526603893 0.74445676683963 32.065 6 S 0.08731526603893 0.41434022407848 0.74445676683963 32.065 *7 S 0.74208408434229 0.74208408434229 0.74715054083520 32.065 8 S 0.58565977592152 0.91268473396107 0.25554323316037 32.065 9 S 0.25791591565771 0.25791591565771 0.25284945916480 32.065 10 S 0.91268473396107 0.58565977592152 0.25554323316037 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.311508090490792 0.000000000000000 0.000000000000000 b 0.000000000000000 10.930846999999996 0.000000000000000 c -2.094708161047711 0.000000000000000 5.924936453294922 Atomic positions (fractional): *1 Sc 0.50000000000000 0.83270844600628 0.50000000000000 44.956 > 1 2 Sc 0.50000000000000 0.16729155399372 0.50000000000000 44.956 > 2 *3 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 3 *4 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 4 5 Sc 0.00000000000000 0.33270844600628 0.50000000000000 44.956 > 1 6 Sc 0.00000000000000 0.66729155399372 0.50000000000000 44.956 > 2 7 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 3 8 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 4 *9 S 0.25082774505870 0.83648752098023 0.74445676683963 32.065 > 5 10 S 0.25082774505870 0.16351247901977 0.74445676683963 32.065 > 6 *11 S 0.74208408434229 0.00000000000000 0.74715054083520 32.065 > 7 12 S 0.74917225494130 0.16351247901977 0.25554323316037 32.065 > 8 13 S 0.25791591565771 0.00000000000000 0.25284945916480 32.065 > 9 14 S 0.74917225494130 0.83648752098023 0.25554323316037 32.065 > 10 15 S 0.75082774505870 0.33648752098023 0.74445676683963 32.065 > 5 16 S 0.75082774505870 0.66351247901977 0.74445676683963 32.065 > 6 17 S 0.24208408434229 0.50000000000000 0.74715054083520 32.065 > 7 18 S 0.24917225494130 0.66351247901977 0.25554323316037 32.065 > 8 19 S 0.75791591565771 0.50000000000000 0.25284945916480 32.065 > 9 20 S 0.24917225494130 0.33648752098023 0.25554323316037 32.065 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.623016180981583 0.000000000000000 0.000000000000000 b 0.000000000000000 10.930846999999996 0.000000000000000 c -4.189416322095422 0.000000000000000 11.849872906589844 Atomic positions (fractional): *1 Sc 0.25000000000000 0.83270844600628 0.25000000000000 44.956 > 1 2 Sc 0.75000000000000 0.83270844600628 0.25000000000000 44.956 > 1 3 Sc 0.25000000000000 0.83270844600628 0.75000000000000 44.956 > 1 4 Sc 0.75000000000000 0.83270844600628 0.75000000000000 44.956 > 1 5 Sc 0.25000000000000 0.16729155399372 0.25000000000000 44.956 > 2 6 Sc 0.75000000000000 0.16729155399372 0.25000000000000 44.956 > 2 7 Sc 0.25000000000000 0.16729155399372 0.75000000000000 44.956 > 2 8 Sc 0.75000000000000 0.16729155399372 0.75000000000000 44.956 > 2 *9 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 3 10 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 3 11 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 3 12 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 3 *13 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 4 14 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 4 15 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 4 16 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 4 17 Sc 0.00000000000000 0.33270844600628 0.25000000000000 44.956 > 1 18 Sc 0.50000000000000 0.33270844600628 0.25000000000000 44.956 > 1 19 Sc 0.00000000000000 0.33270844600628 0.75000000000000 44.956 > 1 20 Sc 0.50000000000000 0.33270844600628 0.75000000000000 44.956 > 1 21 Sc 0.00000000000000 0.66729155399372 0.25000000000000 44.956 > 2 22 Sc 0.50000000000000 0.66729155399372 0.25000000000000 44.956 > 2 23 Sc 0.00000000000000 0.66729155399372 0.75000000000000 44.956 > 2 24 Sc 0.50000000000000 0.66729155399372 0.75000000000000 44.956 > 2 25 Sc 0.25000000000000 0.50000000000000 0.25000000000000 44.956 > 3 26 Sc 0.75000000000000 0.50000000000000 0.25000000000000 44.956 > 3 27 Sc 0.25000000000000 0.50000000000000 0.75000000000000 44.956 > 3 28 Sc 0.75000000000000 0.50000000000000 0.75000000000000 44.956 > 3 29 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 4 30 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 4 31 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 4 32 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 4 *33 S 0.12541387252935 0.83648752098023 0.37222838341982 32.065 > 5 34 S 0.62541387252935 0.83648752098023 0.37222838341982 32.065 > 5 35 S 0.12541387252935 0.83648752098023 0.87222838341982 32.065 > 5 36 S 0.62541387252935 0.83648752098023 0.87222838341982 32.065 > 5 37 S 0.12541387252935 0.16351247901977 0.37222838341982 32.065 > 6 38 S 0.62541387252935 0.16351247901977 0.37222838341982 32.065 > 6 39 S 0.12541387252935 0.16351247901977 0.87222838341982 32.065 > 6 40 S 0.62541387252935 0.16351247901977 0.87222838341982 32.065 > 6 *41 S 0.37104204217114 0.00000000000000 0.37357527041760 32.065 > 7 42 S 0.87104204217114 0.00000000000000 0.37357527041760 32.065 > 7 43 S 0.37104204217114 0.00000000000000 0.87357527041760 32.065 > 7 44 S 0.87104204217114 0.00000000000000 0.87357527041760 32.065 > 7 45 S 0.37458612747065 0.16351247901977 0.12777161658018 32.065 > 8 46 S 0.87458612747065 0.16351247901977 0.12777161658018 32.065 > 8 47 S 0.37458612747065 0.16351247901977 0.62777161658018 32.065 > 8 48 S 0.87458612747065 0.16351247901977 0.62777161658018 32.065 > 8 49 S 0.12895795782886 0.00000000000000 0.12642472958240 32.065 > 9 50 S 0.62895795782886 0.00000000000000 0.12642472958240 32.065 > 9 51 S 0.12895795782886 0.00000000000000 0.62642472958240 32.065 > 9 52 S 0.62895795782886 0.00000000000000 0.62642472958240 32.065 > 9 53 S 0.37458612747065 0.83648752098023 0.12777161658018 32.065 > 10 54 S 0.87458612747065 0.83648752098023 0.12777161658018 32.065 > 10 55 S 0.37458612747065 0.83648752098023 0.62777161658018 32.065 > 10 56 S 0.87458612747065 0.83648752098023 0.62777161658018 32.065 > 10 57 S 0.37541387252935 0.33648752098023 0.37222838341982 32.065 > 5 58 S 0.87541387252935 0.33648752098023 0.37222838341982 32.065 > 5 59 S 0.37541387252935 0.33648752098023 0.87222838341982 32.065 > 5 60 S 0.87541387252935 0.33648752098023 0.87222838341982 32.065 > 5 61 S 0.37541387252935 0.66351247901977 0.37222838341982 32.065 > 6 62 S 0.87541387252935 0.66351247901977 0.37222838341982 32.065 > 6 63 S 0.37541387252935 0.66351247901977 0.87222838341982 32.065 > 6 64 S 0.87541387252935 0.66351247901977 0.87222838341982 32.065 > 6 65 S 0.12104204217114 0.50000000000000 0.37357527041760 32.065 > 7 66 S 0.62104204217114 0.50000000000000 0.37357527041760 32.065 > 7 67 S 0.12104204217114 0.50000000000000 0.87357527041760 32.065 > 7 68 S 0.62104204217114 0.50000000000000 0.87357527041760 32.065 > 7 69 S 0.12458612747065 0.66351247901977 0.12777161658018 32.065 > 8 70 S 0.62458612747065 0.66351247901977 0.12777161658018 32.065 > 8 71 S 0.12458612747065 0.66351247901977 0.62777161658018 32.065 > 8 72 S 0.62458612747065 0.66351247901977 0.62777161658018 32.065 > 8 73 S 0.37895795782886 0.50000000000000 0.12642472958240 32.065 > 9 74 S 0.87895795782886 0.50000000000000 0.12642472958240 32.065 > 9 75 S 0.37895795782886 0.50000000000000 0.62642472958240 32.065 > 9 76 S 0.87895795782886 0.50000000000000 0.62642472958240 32.065 > 9 77 S 0.12458612747065 0.33648752098023 0.12777161658018 32.065 > 10 78 S 0.62458612747065 0.33648752098023 0.12777161658018 32.065 > 10 79 S 0.12458612747065 0.33648752098023 0.62777161658018 32.065 > 10 80 S 0.62458612747065 0.33648752098023 0.62777161658018 32.065 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9719585 0.0000000 0.1029966 0.0000000 8.8659443 0.0000000 0.1030402 0.0000000 8.2853621 -------------------------- Born effective charges -------------------------- 1 Sc 3.8592625 0.0000000 -0.0469333 0.0000000 4.8812247 0.0000000 0.1629117 0.0000000 2.6291027 2 Sc 3.8592625 0.0000000 -0.0469333 0.0000000 4.8812247 0.0000000 0.1629117 0.0000000 2.6291027 3 Sc 5.4662948 0.0000000 0.1004983 0.0000000 3.3567359 0.0000000 -0.1435101 0.0000000 2.6618518 4 Sc 3.7179292 0.0000000 0.0597384 0.0000000 3.5904482 0.0000000 0.0939262 0.0000000 6.7765140 5 S -2.6995704 -0.3357699 -0.5397026 -0.2902829 -2.9797274 -0.8728506 -0.5456223 -0.8626650 -2.4949391 6 S -2.6995704 0.3357699 -0.5397026 0.2902829 -2.9797274 0.8728506 -0.5456223 0.8626650 -2.4949391 7 S -3.0522336 0.0000000 1.0462202 0.0000000 -2.3953620 0.0000000 0.9531248 0.0000000 -2.3584073 8 S -2.6995704 -0.3357699 -0.5397026 -0.2902829 -2.9797274 -0.8728506 -0.5456223 -0.8626650 -2.4949391 9 S -3.0522336 0.0000000 1.0462202 0.0000000 -2.3953620 0.0000000 0.9531248 0.0000000 -2.3584073 10 S -2.6995704 0.3357699 -0.5397026 0.2902829 -2.9797274 0.8728506 -0.5456223 0.8626650 -2.4949391 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 4656/4656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 152 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 992), data: False |-- (152, 147), data: True |-- (152, 147), data: True |-- (152, 147), data: True |-- (160, 158), data: True |-- (160, 158), data: True |-- (244, 235), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.770 Solver_block: 200 / 320 - Time: 0.786 Solver_block: 300 / 320 - Time: 0.786 Solver_block: 320 / 320 - Time: 0.197 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.556 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 4656/4656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 152 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 992), data: False |-- (152, 147), data: True |-- (152, 147), data: True |-- (152, 147), data: True |-- (160, 158), data: True |-- (160, 158), data: True |-- (244, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:44:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:44:17]------------------------- 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 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.155754045245396 -5.465423499999998 0.000000000000000 b 3.155754045245396 5.465423499999998 0.000000000000000 c -2.094708161047711 0.000000000000000 5.924936453294922 Atomic positions (fractional): 1 Sc 0.66729155399372 0.33270844600628 0.50000000000000 44.956 2 Sc 0.33270844600628 0.66729155399372 0.50000000000000 44.956 3 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 4 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 5 S 0.41434022407848 0.08731526603893 0.74445676683963 32.065 6 S 0.08731526603893 0.41434022407848 0.74445676683963 32.065 7 S 0.74208408434229 0.74208408434229 0.74715054083520 32.065 8 S 0.58565977592152 0.91268473396107 0.25554323316037 32.065 9 S 0.25791591565771 0.25791591565771 0.25284945916480 32.065 10 S 0.91268473396107 0.58565977592152 0.25554323316037 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.623016180981583 0.000000000000000 0.000000000000000 b 0.000000000000000 10.930846999999996 0.000000000000000 c -4.189416322095422 0.000000000000000 11.849872906589844 Atomic positions (fractional): 1 Sc 0.25000000000000 0.83270844600628 0.25000000000000 44.956 > 1 2 Sc 0.75000000000000 0.83270844600628 0.25000000000000 44.956 > 1 3 Sc 0.25000000000000 0.83270844600628 0.75000000000000 44.956 > 1 4 Sc 0.75000000000000 0.83270844600628 0.75000000000000 44.956 > 1 5 Sc 0.25000000000000 0.16729155399372 0.25000000000000 44.956 > 5 6 Sc 0.75000000000000 0.16729155399372 0.25000000000000 44.956 > 5 7 Sc 0.25000000000000 0.16729155399372 0.75000000000000 44.956 > 5 8 Sc 0.75000000000000 0.16729155399372 0.75000000000000 44.956 > 5 9 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 9 10 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 9 11 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 9 12 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 9 13 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 13 14 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 13 15 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 13 16 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 13 17 Sc 0.00000000000000 0.33270844600628 0.25000000000000 44.956 > 1 18 Sc 0.50000000000000 0.33270844600628 0.25000000000000 44.956 > 1 19 Sc 0.00000000000000 0.33270844600628 0.75000000000000 44.956 > 1 20 Sc 0.50000000000000 0.33270844600628 0.75000000000000 44.956 > 1 21 Sc 0.00000000000000 0.66729155399372 0.25000000000000 44.956 > 5 22 Sc 0.50000000000000 0.66729155399372 0.25000000000000 44.956 > 5 23 Sc 0.00000000000000 0.66729155399372 0.75000000000000 44.956 > 5 24 Sc 0.50000000000000 0.66729155399372 0.75000000000000 44.956 > 5 25 Sc 0.25000000000000 0.50000000000000 0.25000000000000 44.956 > 9 26 Sc 0.75000000000000 0.50000000000000 0.25000000000000 44.956 > 9 27 Sc 0.25000000000000 0.50000000000000 0.75000000000000 44.956 > 9 28 Sc 0.75000000000000 0.50000000000000 0.75000000000000 44.956 > 9 29 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 13 30 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 13 31 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 13 32 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 13 33 S 0.12541387252935 0.83648752098023 0.37222838341982 32.065 > 33 34 S 0.62541387252935 0.83648752098023 0.37222838341982 32.065 > 33 35 S 0.12541387252935 0.83648752098023 0.87222838341982 32.065 > 33 36 S 0.62541387252935 0.83648752098023 0.87222838341982 32.065 > 33 37 S 0.12541387252935 0.16351247901977 0.37222838341982 32.065 > 37 38 S 0.62541387252935 0.16351247901977 0.37222838341982 32.065 > 37 39 S 0.12541387252935 0.16351247901977 0.87222838341982 32.065 > 37 40 S 0.62541387252935 0.16351247901977 0.87222838341982 32.065 > 37 41 S 0.37104204217114 0.00000000000000 0.37357527041760 32.065 > 41 42 S 0.87104204217114 0.00000000000000 0.37357527041760 32.065 > 41 43 S 0.37104204217114 0.00000000000000 0.87357527041760 32.065 > 41 44 S 0.87104204217114 0.00000000000000 0.87357527041760 32.065 > 41 45 S 0.37458612747065 0.16351247901977 0.12777161658018 32.065 > 45 46 S 0.87458612747065 0.16351247901977 0.12777161658018 32.065 > 45 47 S 0.37458612747065 0.16351247901977 0.62777161658018 32.065 > 45 48 S 0.87458612747065 0.16351247901977 0.62777161658018 32.065 > 45 49 S 0.12895795782886 0.00000000000000 0.12642472958240 32.065 > 49 50 S 0.62895795782886 0.00000000000000 0.12642472958240 32.065 > 49 51 S 0.12895795782886 0.00000000000000 0.62642472958240 32.065 > 49 52 S 0.62895795782886 0.00000000000000 0.62642472958240 32.065 > 49 53 S 0.37458612747065 0.83648752098023 0.12777161658018 32.065 > 53 54 S 0.87458612747065 0.83648752098023 0.12777161658018 32.065 > 53 55 S 0.37458612747065 0.83648752098023 0.62777161658018 32.065 > 53 56 S 0.87458612747065 0.83648752098023 0.62777161658018 32.065 > 53 57 S 0.37541387252935 0.33648752098023 0.37222838341982 32.065 > 33 58 S 0.87541387252935 0.33648752098023 0.37222838341982 32.065 > 33 59 S 0.37541387252935 0.33648752098023 0.87222838341982 32.065 > 33 60 S 0.87541387252935 0.33648752098023 0.87222838341982 32.065 > 33 61 S 0.37541387252935 0.66351247901977 0.37222838341982 32.065 > 37 62 S 0.87541387252935 0.66351247901977 0.37222838341982 32.065 > 37 63 S 0.37541387252935 0.66351247901977 0.87222838341982 32.065 > 37 64 S 0.87541387252935 0.66351247901977 0.87222838341982 32.065 > 37 65 S 0.12104204217114 0.50000000000000 0.37357527041760 32.065 > 41 66 S 0.62104204217114 0.50000000000000 0.37357527041760 32.065 > 41 67 S 0.12104204217114 0.50000000000000 0.87357527041760 32.065 > 41 68 S 0.62104204217114 0.50000000000000 0.87357527041760 32.065 > 41 69 S 0.12458612747065 0.66351247901977 0.12777161658018 32.065 > 45 70 S 0.62458612747065 0.66351247901977 0.12777161658018 32.065 > 45 71 S 0.12458612747065 0.66351247901977 0.62777161658018 32.065 > 45 72 S 0.62458612747065 0.66351247901977 0.62777161658018 32.065 > 45 73 S 0.37895795782886 0.50000000000000 0.12642472958240 32.065 > 49 74 S 0.87895795782886 0.50000000000000 0.12642472958240 32.065 > 49 75 S 0.37895795782886 0.50000000000000 0.62642472958240 32.065 > 49 76 S 0.87895795782886 0.50000000000000 0.62642472958240 32.065 > 49 77 S 0.12458612747065 0.33648752098023 0.12777161658018 32.065 > 53 78 S 0.62458612747065 0.33648752098023 0.12777161658018 32.065 > 53 79 S 0.12458612747065 0.33648752098023 0.62777161658018 32.065 > 53 80 S 0.62458612747065 0.33648752098023 0.62777161658018 32.065 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9719585 0.0000000 0.1029966 0.0000000 8.8659443 0.0000000 0.1030402 0.0000000 8.2853621 -------------------------- Born effective charges -------------------------- 1 Sc 3.8592625 0.0000000 -0.0469333 0.0000000 4.8812247 0.0000000 0.1629117 0.0000000 2.6291027 2 Sc 3.8592625 0.0000000 -0.0469333 0.0000000 4.8812247 0.0000000 0.1629117 0.0000000 2.6291027 3 Sc 5.4662948 0.0000000 0.1004983 0.0000000 3.3567359 0.0000000 -0.1435101 0.0000000 2.6618518 4 Sc 3.7179292 0.0000000 0.0597384 0.0000000 3.5904482 0.0000000 0.0939262 0.0000000 6.7765140 5 S -2.6995704 -0.3357699 -0.5397026 -0.2902829 -2.9797274 -0.8728506 -0.5456223 -0.8626650 -2.4949391 6 S -2.6995704 0.3357699 -0.5397026 0.2902829 -2.9797274 0.8728506 -0.5456223 0.8626650 -2.4949391 7 S -3.0522336 0.0000000 1.0462202 0.0000000 -2.3953620 0.0000000 0.9531248 0.0000000 -2.3584073 8 S -2.6995704 -0.3357699 -0.5397026 -0.2902829 -2.9797274 -0.8728506 -0.5456223 -0.8626650 -2.4949391 9 S -3.0522336 0.0000000 1.0462202 0.0000000 -2.3953620 0.0000000 0.9531248 0.0000000 -2.3584073 10 S -2.6995704 0.3357699 -0.5397026 0.2902829 -2.9797274 0.8728506 -0.5456223 0.8626650 -2.4949391 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 9, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 33, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 41, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (zx) -0.00000004 (zx) 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 21:44:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:44:26]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.155754045245396 -5.465423499999998 0.000000000000000 b 3.155754045245396 5.465423499999998 0.000000000000000 c -2.094708161047711 0.000000000000000 5.924936453294922 Atomic positions (fractional): 1 Sc 0.66729155399372 0.33270844600628 0.50000000000000 44.956 2 Sc 0.33270844600628 0.66729155399372 0.50000000000000 44.956 3 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 4 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 5 S 0.41434022407848 0.08731526603893 0.74445676683963 32.065 6 S 0.08731526603893 0.41434022407848 0.74445676683963 32.065 7 S 0.74208408434229 0.74208408434229 0.74715054083520 32.065 8 S 0.58565977592152 0.91268473396107 0.25554323316037 32.065 9 S 0.25791591565771 0.25791591565771 0.25284945916480 32.065 10 S 0.91268473396107 0.58565977592152 0.25554323316037 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.623016180981583 0.000000000000000 0.000000000000000 b 0.000000000000000 10.930846999999996 0.000000000000000 c -4.189416322095422 0.000000000000000 11.849872906589844 Atomic positions (fractional): 1 Sc 0.25000000000000 0.83270844600628 0.25000000000000 44.956 > 1 2 Sc 0.75000000000000 0.83270844600628 0.25000000000000 44.956 > 1 3 Sc 0.25000000000000 0.83270844600628 0.75000000000000 44.956 > 1 4 Sc 0.75000000000000 0.83270844600628 0.75000000000000 44.956 > 1 5 Sc 0.25000000000000 0.16729155399372 0.25000000000000 44.956 > 5 6 Sc 0.75000000000000 0.16729155399372 0.25000000000000 44.956 > 5 7 Sc 0.25000000000000 0.16729155399372 0.75000000000000 44.956 > 5 8 Sc 0.75000000000000 0.16729155399372 0.75000000000000 44.956 > 5 9 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 9 10 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 9 11 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 9 12 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 9 13 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 13 14 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 13 15 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 13 16 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 13 17 Sc 0.00000000000000 0.33270844600628 0.25000000000000 44.956 > 1 18 Sc 0.50000000000000 0.33270844600628 0.25000000000000 44.956 > 1 19 Sc 0.00000000000000 0.33270844600628 0.75000000000000 44.956 > 1 20 Sc 0.50000000000000 0.33270844600628 0.75000000000000 44.956 > 1 21 Sc 0.00000000000000 0.66729155399372 0.25000000000000 44.956 > 5 22 Sc 0.50000000000000 0.66729155399372 0.25000000000000 44.956 > 5 23 Sc 0.00000000000000 0.66729155399372 0.75000000000000 44.956 > 5 24 Sc 0.50000000000000 0.66729155399372 0.75000000000000 44.956 > 5 25 Sc 0.25000000000000 0.50000000000000 0.25000000000000 44.956 > 9 26 Sc 0.75000000000000 0.50000000000000 0.25000000000000 44.956 > 9 27 Sc 0.25000000000000 0.50000000000000 0.75000000000000 44.956 > 9 28 Sc 0.75000000000000 0.50000000000000 0.75000000000000 44.956 > 9 29 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 13 30 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 13 31 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 13 32 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 13 33 S 0.12541387252935 0.83648752098023 0.37222838341982 32.065 > 33 34 S 0.62541387252935 0.83648752098023 0.37222838341982 32.065 > 33 35 S 0.12541387252935 0.83648752098023 0.87222838341982 32.065 > 33 36 S 0.62541387252935 0.83648752098023 0.87222838341982 32.065 > 33 37 S 0.12541387252935 0.16351247901977 0.37222838341982 32.065 > 37 38 S 0.62541387252935 0.16351247901977 0.37222838341982 32.065 > 37 39 S 0.12541387252935 0.16351247901977 0.87222838341982 32.065 > 37 40 S 0.62541387252935 0.16351247901977 0.87222838341982 32.065 > 37 41 S 0.37104204217114 0.00000000000000 0.37357527041760 32.065 > 41 42 S 0.87104204217114 0.00000000000000 0.37357527041760 32.065 > 41 43 S 0.37104204217114 0.00000000000000 0.87357527041760 32.065 > 41 44 S 0.87104204217114 0.00000000000000 0.87357527041760 32.065 > 41 45 S 0.37458612747065 0.16351247901977 0.12777161658018 32.065 > 45 46 S 0.87458612747065 0.16351247901977 0.12777161658018 32.065 > 45 47 S 0.37458612747065 0.16351247901977 0.62777161658018 32.065 > 45 48 S 0.87458612747065 0.16351247901977 0.62777161658018 32.065 > 45 49 S 0.12895795782886 0.00000000000000 0.12642472958240 32.065 > 49 50 S 0.62895795782886 0.00000000000000 0.12642472958240 32.065 > 49 51 S 0.12895795782886 0.00000000000000 0.62642472958240 32.065 > 49 52 S 0.62895795782886 0.00000000000000 0.62642472958240 32.065 > 49 53 S 0.37458612747065 0.83648752098023 0.12777161658018 32.065 > 53 54 S 0.87458612747065 0.83648752098023 0.12777161658018 32.065 > 53 55 S 0.37458612747065 0.83648752098023 0.62777161658018 32.065 > 53 56 S 0.87458612747065 0.83648752098023 0.62777161658018 32.065 > 53 57 S 0.37541387252935 0.33648752098023 0.37222838341982 32.065 > 33 58 S 0.87541387252935 0.33648752098023 0.37222838341982 32.065 > 33 59 S 0.37541387252935 0.33648752098023 0.87222838341982 32.065 > 33 60 S 0.87541387252935 0.33648752098023 0.87222838341982 32.065 > 33 61 S 0.37541387252935 0.66351247901977 0.37222838341982 32.065 > 37 62 S 0.87541387252935 0.66351247901977 0.37222838341982 32.065 > 37 63 S 0.37541387252935 0.66351247901977 0.87222838341982 32.065 > 37 64 S 0.87541387252935 0.66351247901977 0.87222838341982 32.065 > 37 65 S 0.12104204217114 0.50000000000000 0.37357527041760 32.065 > 41 66 S 0.62104204217114 0.50000000000000 0.37357527041760 32.065 > 41 67 S 0.12104204217114 0.50000000000000 0.87357527041760 32.065 > 41 68 S 0.62104204217114 0.50000000000000 0.87357527041760 32.065 > 41 69 S 0.12458612747065 0.66351247901977 0.12777161658018 32.065 > 45 70 S 0.62458612747065 0.66351247901977 0.12777161658018 32.065 > 45 71 S 0.12458612747065 0.66351247901977 0.62777161658018 32.065 > 45 72 S 0.62458612747065 0.66351247901977 0.62777161658018 32.065 > 45 73 S 0.37895795782886 0.50000000000000 0.12642472958240 32.065 > 49 74 S 0.87895795782886 0.50000000000000 0.12642472958240 32.065 > 49 75 S 0.37895795782886 0.50000000000000 0.62642472958240 32.065 > 49 76 S 0.87895795782886 0.50000000000000 0.62642472958240 32.065 > 49 77 S 0.12458612747065 0.33648752098023 0.12777161658018 32.065 > 53 78 S 0.62458612747065 0.33648752098023 0.12777161658018 32.065 > 53 79 S 0.12458612747065 0.33648752098023 0.62777161658018 32.065 > 53 80 S 0.62458612747065 0.33648752098023 0.62777161658018 32.065 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.9719585 0.0000000 0.1029966 0.0000000 8.8659443 0.0000000 0.1030402 0.0000000 8.2853621 -------------------------- Born effective charges -------------------------- 1 Sc 3.8592625 0.0000000 -0.0469333 0.0000000 4.8812247 0.0000000 0.1629117 0.0000000 2.6291027 2 Sc 3.8592625 0.0000000 -0.0469333 0.0000000 4.8812247 0.0000000 0.1629117 0.0000000 2.6291027 3 Sc 5.4662948 0.0000000 0.1004983 0.0000000 3.3567359 0.0000000 -0.1435101 0.0000000 2.6618518 4 Sc 3.7179292 0.0000000 0.0597384 0.0000000 3.5904482 0.0000000 0.0939262 0.0000000 6.7765140 5 S -2.6995704 -0.3357699 -0.5397026 -0.2902829 -2.9797274 -0.8728506 -0.5456223 -0.8626650 -2.4949391 6 S -2.6995704 0.3357699 -0.5397026 0.2902829 -2.9797274 0.8728506 -0.5456223 0.8626650 -2.4949391 7 S -3.0522336 0.0000000 1.0462202 0.0000000 -2.3953620 0.0000000 0.9531248 0.0000000 -2.3584073 8 S -2.6995704 -0.3357699 -0.5397026 -0.2902829 -2.9797274 -0.8728506 -0.5456223 -0.8626650 -2.4949391 9 S -3.0522336 0.0000000 1.0462202 0.0000000 -2.3953620 0.0000000 0.9531248 0.0000000 -2.3584073 10 S -2.6995704 0.3357699 -0.5397026 0.2902829 -2.9797274 0.8728506 -0.5456223 0.8626650 -2.4949391 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 8 ] 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: 0.71, Number of G-points: 315, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/227) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.683 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.641 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 7.150 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 7.218 ( 0.000 0.000 0.000) 0.000 7.339 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.634 ( 0.000 0.000 0.000) 0.000 8.679 ( 0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 9.247 ( 0.000 0.000 0.000) 0.000 9.544 ( 0.000 0.000 0.000) 0.000 10.134 ( 0.000 0.000 0.000) 0.000 10.565 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/227) ======================= q-point: ( 0.10 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 27.726 -11.724 17.522) 34.831 0.774 ( 37.375 -16.239 4.003) 40.947 1.165 ( 47.966 -32.109 17.965) 60.452 3.981 ( 2.970 5.667 -3.846) 7.465 4.085 ( -7.596 3.569 0.573) 8.412 4.655 ( -3.828 1.619 -2.872) 5.052 4.773 ( 3.633 -2.305 -6.576) 7.858 5.395 ( -2.408 5.486 1.954) 6.302 5.556 ( -13.040 2.231 -4.322) 13.917 5.953 ( 8.726 2.439 4.825) 10.265 6.097 ( -1.825 6.227 -1.520) 6.664 6.336 ( -7.200 4.106 16.480) 18.447 6.669 ( 2.206 -0.452 2.861) 3.641 6.897 ( 0.709 0.362 -0.515) 0.948 7.145 ( -1.046 0.373 3.490) 3.663 7.171 ( 0.286 -1.091 0.753) 1.356 7.320 ( 1.608 -7.466 0.854) 7.684 7.538 ( -6.751 0.081 -2.841) 7.324 7.999 ( 6.359 4.845 9.173) 12.168 8.166 ( 2.602 -4.114 2.397) 5.426 8.534 ( -12.073 -0.456 13.460) 18.087 8.583 ( -2.709 4.182 -9.361) 10.605 8.725 ( 0.053 5.997 -2.726) 6.588 8.957 ( -4.646 -14.215 -0.660) 14.970 9.048 ( 6.814 -0.334 7.611) 10.221 9.109 ( -9.898 4.654 1.795) 11.084 9.640 ( 14.132 -2.396 -7.641) 16.243 10.056 ( -4.483 0.013 -13.864) 14.571 10.531 ( -1.042 0.279 2.160) 2.415 11.632 ( 1.488 3.800 -5.706) 7.015 ======================= Grid point 2 (3/227) ======================= q-point: ( 0.20 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 26.684 -11.153 14.025) 32.142 1.515 ( 35.796 -14.266 2.717) 38.630 2.292 ( 44.875 -29.861 18.374) 56.948 3.865 ( -8.668 4.871 0.401) 9.951 4.001 ( -0.190 0.932 -1.751) 1.993 4.493 ( -10.048 5.270 -4.167) 12.087 4.800 ( 1.780 -0.302 -6.098) 6.360 5.176 ( -13.068 9.737 -6.433) 17.520 5.416 ( -1.161 2.349 1.525) 3.032 5.953 ( -5.605 6.652 -2.675) 9.101 6.093 ( 7.964 2.186 0.367) 8.267 6.272 ( -8.573 -0.265 12.599) 15.242 6.742 ( 3.381 0.430 4.725) 5.825 6.901 ( 1.205 -0.230 -1.536) 1.966 7.139 ( -0.252 0.400 1.038) 1.140 7.225 ( 2.713 0.964 5.751) 6.432 7.397 ( 1.532 -3.070 -0.573) 3.479 7.478 ( -0.074 -2.032 -2.087) 2.914 8.028 ( -0.743 5.602 7.116) 9.087 8.256 ( -2.581 -3.891 4.492) 6.479 8.414 ( -8.363 2.407 1.663) 8.860 8.500 ( 3.059 2.267 0.396) 3.828 8.596 ( -6.086 7.527 -0.152) 9.681 8.912 ( -9.442 3.530 0.150) 10.082 9.000 ( -4.681 -10.979 0.337) 11.940 9.239 ( 7.940 -0.533 9.298) 12.239 9.844 ( 10.930 -7.453 -9.164) 16.093 9.858 ( -8.389 0.326 -15.876) 17.959 10.530 ( -3.476 -1.620 10.045) 10.752 11.563 ( 0.286 8.053 -5.025) 9.497 ======================= Grid point 3 (4/227) ======================= q-point: ( 0.30 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 23.577 -9.386 8.828) 26.868 2.185 ( 32.273 -11.016 1.234) 34.123 3.278 ( 30.756 -20.574 21.191) 42.642 3.737 ( -3.170 -3.792 -1.062) 5.056 3.988 ( 0.020 -0.949 -1.376) 1.672 4.224 ( -11.382 6.905 -4.168) 13.950 4.701 ( -8.469 8.434 -2.565) 12.225 4.911 ( -2.561 3.842 -10.563) 11.528 5.407 ( 0.206 2.028 2.144) 2.958 5.754 ( -9.414 6.822 -1.737) 11.755 6.177 ( 6.378 3.575 -4.759) 8.724 6.214 ( -9.089 -2.756 12.565) 15.751 6.775 ( -0.627 2.905 3.730) 4.769 6.962 ( 6.038 -2.498 -1.698) 6.751 7.149 ( 1.535 0.638 -0.514) 1.740 7.259 ( 1.355 4.765 5.076) 7.093 7.434 ( 0.783 0.612 -0.962) 1.383 7.527 ( 2.798 -5.063 1.471) 5.969 7.981 ( -4.195 2.121 2.876) 5.510 8.142 ( -12.732 -0.382 3.250) 13.146 8.370 ( -0.320 0.663 5.424) 5.474 8.431 ( -4.530 5.258 -0.728) 6.978 8.581 ( 7.217 2.596 -0.315) 7.676 8.744 ( -8.084 1.467 -0.274) 8.221 9.015 ( -5.088 -6.499 2.925) 8.756 9.335 ( 0.572 5.183 -0.722) 5.264 9.656 ( -7.051 -1.176 -3.564) 7.988 10.015 ( 7.419 -6.742 -7.656) 12.614 10.590 ( -0.933 -9.412 8.181) 12.505 11.435 ( -0.775 12.305 -6.005) 13.714 ======================= Grid point 4 (5/227) ======================= q-point: ( 0.40 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 15.224 -5.296 2.890) 16.376 2.738 ( 25.707 -7.342 1.358) 26.770 3.593 ( -3.031 -3.191 11.862) 12.652 3.689 ( -15.235 3.324 -0.889) 15.618 4.019 ( 0.131 0.874 -1.772) 1.980 4.325 ( 16.640 -15.603 1.838) 22.885 4.494 ( -0.446 6.694 -1.474) 6.869 4.850 ( 5.775 2.296 -7.489) 9.731 5.363 ( -7.557 1.589 1.086) 7.798 5.561 ( -5.310 4.992 1.380) 7.417 6.121 ( -6.406 0.557 1.029) 6.512 6.216 ( 1.170 1.873 0.798) 2.348 6.741 ( -1.784 2.154 1.780) 3.315 7.062 ( 4.620 -0.341 -2.643) 5.334 7.167 ( 1.547 -1.495 -0.886) 2.327 7.266 ( 1.344 3.799 3.896) 5.606 7.402 ( -1.421 3.049 1.096) 3.538 7.642 ( 3.239 -4.518 1.986) 5.903 7.873 ( -6.257 2.408 -0.870) 6.761 8.021 ( -6.014 -3.138 1.498) 6.947 8.303 ( -1.830 6.032 2.711) 6.862 8.439 ( 0.917 -1.216 0.691) 1.673 8.605 ( -3.313 -3.969 -0.142) 5.172 8.717 ( 8.693 5.140 0.866) 10.136 8.978 ( -8.382 -3.037 4.893) 10.170 9.175 ( -6.754 4.176 -9.362) 12.276 9.624 ( -0.678 1.199 5.585) 5.753 10.110 ( 3.201 -3.760 -5.110) 7.106 10.767 ( 2.225 -16.297 6.846) 17.816 11.248 ( -1.861 15.796 -6.799) 17.297 ======================= Grid point 5 (6/227) ======================= q-point: (-0.50 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 0.000 -0.000 0.000) 0.000 3.072 ( 0.000 -0.000 0.000) 0.000 3.420 ( 0.000 -0.000 0.000) 0.000 3.634 ( 0.000 -0.000 0.000) 0.000 4.017 ( 0.000 -0.000 0.000) 0.000 4.385 ( 0.000 -0.000 0.000) 0.000 4.571 ( 0.000 -0.000 0.000) 0.000 5.082 ( 0.000 -0.000 0.000) 0.000 5.136 ( -0.000 0.000 0.000) 0.000 5.517 ( 0.000 -0.000 0.000) 0.000 6.050 ( 0.000 -0.000 0.000) 0.000 6.216 ( 0.000 -0.000 0.000) 0.000 6.719 ( 0.000 -0.000 0.000) 0.000 7.083 ( 0.000 -0.000 0.000) 0.000 7.202 ( 0.000 -0.000 -0.000) 0.000 7.267 ( 0.000 -0.000 0.000) 0.000 7.375 ( 0.000 -0.000 0.000) 0.000 7.700 ( 0.000 -0.000 0.000) 0.000 7.801 ( 0.000 -0.000 0.000) 0.000 7.993 ( 0.000 -0.000 -0.000) 0.000 8.272 ( 0.000 -0.000 0.000) 0.000 8.437 ( 0.000 -0.000 -0.000) 0.000 8.621 ( 0.000 -0.000 -0.000) 0.000 8.835 ( -0.000 -0.000 0.000) 0.000 8.864 ( 0.000 -0.000 0.000) 0.000 9.063 ( 0.000 -0.000 -0.000) 0.000 9.631 ( 0.000 -0.000 0.000) 0.000 10.137 ( 0.000 -0.000 -0.000) 0.000 10.976 ( -0.000 0.000 -0.000) 0.000 11.047 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/227) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 33.551 -0.000 13.604) 36.204 1.309 ( 33.058 -0.000 19.880) 38.575 1.989 ( 56.283 -0.000 13.015) 57.769 3.927 ( -12.802 0.000 0.730) 12.822 4.001 ( -0.531 0.000 -2.478) 2.534 4.547 ( -9.651 0.000 -3.858) 10.394 4.783 ( 4.417 -0.000 -7.467) 8.676 5.285 ( -16.485 0.000 -7.380) 18.062 5.420 ( -0.078 0.000 1.747) 1.749 6.036 ( -4.995 0.000 -7.486) 8.999 6.112 ( 8.157 -0.000 -0.032) 8.157 6.274 ( -13.480 0.000 18.522) 22.908 6.738 ( 4.396 -0.000 4.168) 6.058 6.902 ( 0.188 -0.000 -1.186) 1.201 7.171 ( 1.726 -0.000 0.820) 1.911 7.178 ( 1.642 -0.000 5.434) 5.677 7.388 ( 6.717 -0.000 0.916) 6.779 7.454 ( -1.532 0.000 -4.030) 4.311 8.139 ( -4.619 0.000 10.709) 11.663 8.172 ( -0.206 0.000 5.366) 5.370 8.432 ( -7.062 0.000 3.325) 7.806 8.524 ( 0.891 -0.000 -4.219) 4.313 8.703 ( -10.368 0.000 0.274) 10.371 8.813 ( 1.317 -0.000 -1.970) 2.370 8.964 ( -10.810 0.000 0.468) 10.820 9.233 ( 9.170 -0.000 9.155) 12.958 9.778 ( 12.256 -0.000 -8.443) 14.883 9.861 ( -8.752 0.000 -17.019) 19.137 10.516 ( -4.876 0.000 8.275) 9.605 11.651 ( 0.236 -0.000 -1.721) 1.737 ======================= Grid point 13 (8/227) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 29.660 4.431 14.571) 33.342 1.990 ( 31.936 -9.967 12.798) 35.819 2.964 ( 47.930 -10.331 15.094) 51.301 3.716 ( -12.817 0.098 0.662) 12.835 3.972 ( -2.044 -0.564 -1.178) 2.425 4.320 ( -13.775 2.927 -2.563) 14.314 4.788 ( -1.630 1.584 -5.800) 6.230 4.979 ( -9.701 2.927 -10.402) 14.522 5.426 ( -0.627 0.237 1.395) 1.547 5.875 ( -6.603 4.863 -8.222) 11.612 6.150 ( -12.058 -2.792 12.493) 17.586 6.232 ( 5.673 1.631 0.567) 5.930 6.812 ( -0.170 0.936 3.473) 3.601 6.922 ( 5.075 -1.337 -1.767) 5.538 7.191 ( 3.197 3.973 1.743) 5.389 7.289 ( 3.391 -4.477 4.929) 7.472 7.420 ( 1.931 1.306 -3.956) 4.591 7.492 ( 4.336 0.192 0.364) 4.356 8.030 ( -10.187 2.168 8.470) 13.425 8.153 ( -8.284 2.001 3.181) 9.097 8.343 ( -3.413 -2.758 0.452) 4.411 8.512 ( -5.502 3.642 1.401) 6.745 8.578 ( -2.623 -3.137 -0.340) 4.104 8.792 ( -4.207 3.417 -1.439) 5.608 8.884 ( 0.855 -5.919 -1.259) 6.111 9.391 ( 3.005 1.216 1.478) 3.562 9.629 ( -8.583 -0.956 -6.325) 10.704 9.937 ( 11.155 -1.945 -5.566) 12.617 10.482 ( -5.827 -2.751 8.325) 10.527 11.611 ( -0.927 5.656 -1.558) 5.939 ======================= Grid point 14 (9/227) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 22.432 4.651 11.056) 25.437 2.608 ( 27.840 -7.295 8.074) 29.891 3.529 ( -9.210 -3.057 6.967) 11.946 3.701 ( 6.411 -2.289 10.814) 12.778 3.987 ( 4.896 -4.731 -1.858) 7.058 4.119 ( -0.520 -3.779 -0.175) 3.818 4.605 ( -5.697 4.784 -3.135) 8.073 4.902 ( 5.906 2.336 -11.760) 13.366 5.392 ( -4.759 1.352 1.515) 5.174 5.669 ( -6.240 6.136 -6.469) 10.883 6.057 ( -12.656 -4.940 12.100) 18.193 6.290 ( 5.739 3.720 -5.374) 8.697 6.771 ( -3.614 1.081 0.986) 3.900 7.034 ( 6.205 -2.080 -1.928) 6.822 7.204 ( 2.177 4.512 -0.251) 5.016 7.348 ( 1.723 3.583 0.006) 3.976 7.464 ( 1.584 -0.637 4.778) 5.073 7.538 ( 2.285 -0.944 0.153) 2.477 7.920 ( -5.804 0.640 0.208) 5.843 7.973 ( -9.362 0.771 1.434) 9.502 8.371 ( -0.916 -5.659 -1.695) 5.978 8.407 ( -3.702 3.351 5.203) 7.211 8.531 ( -5.492 -3.475 -2.497) 6.962 8.764 ( 2.651 -0.505 0.690) 2.786 8.933 ( 0.489 -0.634 -1.194) 1.438 9.227 ( -9.898 1.570 -13.455) 16.777 9.625 ( -1.214 -0.628 9.372) 9.471 10.084 ( 8.354 0.467 -0.928) 8.418 10.519 ( -1.627 -9.980 8.303) 13.084 11.500 ( -2.206 10.591 -2.599) 11.126 ======================= Grid point 15 (10/227) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 7.859 8.594 8.057) 14.161 3.059 ( 14.886 -1.399 5.206) 15.832 3.402 ( -9.448 -2.729 -2.082) 10.052 3.661 ( -2.393 3.683 7.310) 8.528 3.962 ( -4.999 -4.756 2.159) 7.230 4.275 ( -4.988 -10.649 4.106) 12.455 4.628 ( 5.960 4.906 -4.519) 8.945 5.037 ( 21.424 -1.223 -4.021) 21.832 5.234 ( -12.036 6.119 0.891) 13.531 5.536 ( -1.695 1.642 -7.655) 8.010 5.983 ( -9.986 -5.423 12.147) 16.634 6.284 ( 4.479 5.394 -9.245) 11.603 6.714 ( -2.815 -0.420 -0.468) 2.884 7.099 ( 1.826 0.286 -2.646) 3.227 7.189 ( 1.029 1.744 0.188) 2.034 7.323 ( -0.539 2.800 -0.103) 2.853 7.445 ( -1.612 8.865 4.379) 10.018 7.609 ( -0.087 -8.149 -0.707) 8.180 7.822 ( -1.735 1.115 -1.458) 2.526 7.948 ( 1.134 -4.129 -0.900) 4.376 8.300 ( -4.145 2.004 -1.651) 4.892 8.424 ( 0.093 -1.621 -0.911) 1.861 8.539 ( 1.425 -7.326 0.585) 7.486 8.805 ( -6.982 -2.498 -1.021) 7.486 8.900 ( 5.109 2.300 -1.764) 5.874 9.054 ( -2.387 -0.906 -8.708) 9.075 9.621 ( -3.871 -0.574 3.182) 5.044 10.179 ( 4.984 4.157 5.004) 8.195 10.702 ( 2.393 -14.828 10.869) 18.540 11.320 ( -3.653 14.438 -3.692) 15.344 ======================= Grid point 16 (11/227) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -7.215 13.746 7.723) 17.339 2.891 ( -21.114 9.624 -0.080) 23.204 3.573 ( 12.333 -6.190 -2.188) 13.972 3.662 ( 6.780 2.052 -1.129) 7.173 3.962 ( -4.492 -5.997 3.838) 8.419 4.335 ( -0.485 -10.104 1.917) 10.295 4.566 ( -6.906 7.868 4.481) 11.388 4.910 ( -13.316 10.505 -3.503) 17.319 5.343 ( 10.456 -0.474 -1.999) 10.656 5.490 ( 4.405 -3.235 -9.118) 10.631 6.020 ( -2.530 -7.436 12.850) 15.061 6.254 ( 4.838 3.773 -11.203) 12.773 6.696 ( -0.331 -2.603 -2.121) 3.374 7.074 ( -2.076 1.727 0.018) 2.701 7.197 ( -1.583 -0.468 2.661) 3.132 7.275 ( -0.970 5.261 -2.058) 5.731 7.370 ( -1.105 0.484 0.210) 1.225 7.641 ( -2.334 -4.451 -3.356) 6.043 7.846 ( 5.307 -0.967 -0.010) 5.394 8.039 ( 6.776 -2.064 -1.319) 7.205 8.222 ( -2.787 -1.607 -3.536) 4.781 8.436 ( -0.696 -1.387 -1.011) 1.853 8.621 ( -3.391 -4.569 0.616) 5.723 8.660 ( -1.744 1.383 -3.338) 4.012 9.000 ( 8.277 -0.791 -12.153) 14.725 9.075 ( 3.607 -6.485 3.557) 8.229 9.583 ( -2.077 -2.632 -1.367) 3.621 10.218 ( 1.009 7.503 9.892) 12.456 10.951 ( 3.307 -13.475 12.225) 18.493 11.088 ( -4.876 15.303 -4.164) 16.592 ======================= Grid point 17 (12/227) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -15.687 20.454 3.545) 26.019 2.404 ( -27.344 13.416 2.393) 30.552 3.542 ( -1.724 6.559 -18.740) 19.929 3.880 ( 0.415 5.505 2.299) 5.980 3.972 ( -4.133 -5.283 7.071) 9.746 4.183 ( -8.195 10.894 -0.342) 13.636 4.503 ( 7.382 -12.204 0.981) 14.297 4.837 ( 0.757 -3.680 7.680) 8.550 5.350 ( -2.763 -4.264 -7.012) 8.659 5.660 ( 12.151 -3.153 -2.260) 12.755 6.093 ( -4.967 -5.236 8.121) 10.865 6.254 ( 6.234 1.499 -11.666) 13.312 6.714 ( 0.629 -3.514 -3.929) 5.309 7.000 ( -5.888 1.852 2.339) 6.601 7.167 ( -3.199 1.692 4.257) 5.587 7.214 ( 0.946 1.079 -6.456) 6.613 7.398 ( 1.115 -2.591 1.664) 3.276 7.588 ( -3.190 0.040 -4.323) 5.373 7.959 ( 5.385 -0.790 -2.402) 5.949 8.144 ( 6.804 -0.408 -1.668) 7.018 8.258 ( 3.923 -8.983 -2.479) 10.111 8.386 ( -3.615 -0.728 -3.828) 5.315 8.540 ( -4.784 -1.110 -0.217) 4.916 8.731 ( 7.111 -0.304 -0.662) 7.149 9.070 ( 7.421 -0.964 -10.848) 13.179 9.206 ( 0.295 -8.370 -0.149) 8.377 9.635 ( 5.885 -3.905 1.536) 7.228 10.176 ( -3.795 10.501 11.899) 16.318 10.825 ( -4.537 15.331 -6.410) 17.225 11.204 ( 2.812 -12.172 12.979) 18.014 ======================= Grid point 18 (13/227) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -17.564 26.321 -1.201) 31.666 1.816 ( -29.531 19.055 2.922) 35.266 2.943 ( -28.776 37.888 -18.282) 50.968 3.792 ( 3.254 -2.288 -1.138) 4.137 3.960 ( -3.388 -3.372 3.331) 5.826 4.370 ( 11.292 -7.979 3.866) 14.357 4.737 ( 4.374 -8.272 2.814) 9.771 4.984 ( 5.728 -9.868 9.402) 14.785 5.319 ( -1.863 -7.451 -7.342) 10.625 5.850 ( 8.262 -3.960 -1.879) 9.352 6.053 ( -6.784 -1.929 2.612) 7.521 6.276 ( 4.320 -0.151 -9.544) 10.477 6.717 ( -0.983 -2.005 -4.848) 5.338 6.914 ( -3.846 1.108 2.572) 4.758 7.141 ( -1.521 0.334 3.246) 3.600 7.189 ( 0.051 -1.061 -6.770) 6.853 7.436 ( 0.904 0.127 1.442) 1.706 7.527 ( 0.072 2.488 -2.370) 3.437 7.965 ( -1.207 -1.420 -5.486) 5.794 8.274 ( 1.244 -7.662 1.839) 7.977 8.340 ( -1.105 -1.106 -2.773) 3.183 8.399 ( 5.348 -6.598 -3.294) 9.109 8.531 ( 6.760 0.204 -2.317) 7.149 8.840 ( 3.972 -3.514 -0.959) 5.390 9.101 ( 0.572 -0.205 -4.912) 4.949 9.244 ( 3.702 -1.219 -7.955) 8.859 9.826 ( 6.491 -4.535 9.208) 12.145 10.042 ( -6.687 13.498 12.597) 19.636 10.609 ( -2.553 8.279 -9.941) 13.187 11.409 ( 2.492 -8.141 11.572) 14.367 ======================= Grid point 19 (14/227) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -19.027 28.645 1.041) 34.404 1.186 ( -19.754 30.217 -0.515) 36.105 1.975 ( -27.041 50.507 -15.609) 59.378 3.901 ( 1.835 -4.010 0.798) 4.481 3.972 ( 0.031 -6.944 0.667) 6.976 4.597 ( 7.510 -5.063 1.611) 9.200 4.786 ( -4.426 -1.580 4.771) 6.697 5.238 ( 3.956 -10.462 1.894) 11.344 5.408 ( 6.352 -14.387 -0.046) 15.727 5.901 ( -5.003 -2.410 -5.615) 7.897 6.030 ( 3.051 -0.623 2.866) 4.232 6.278 ( 0.710 -2.304 -8.142) 8.491 6.671 ( -2.120 0.083 -3.177) 3.821 6.888 ( -1.131 -0.405 1.286) 1.761 7.120 ( -1.770 -1.720 -3.239) 4.072 7.182 ( 0.901 0.344 0.680) 1.180 7.445 ( 2.160 5.154 -2.796) 6.248 7.533 ( 3.789 -0.213 2.610) 4.605 7.918 ( -3.316 -3.357 -5.882) 7.541 8.243 ( -3.925 3.645 0.256) 5.363 8.393 ( -1.826 -14.401 1.589) 14.604 8.541 ( 8.510 -2.343 -3.889) 9.646 8.672 ( 8.150 -0.549 -0.360) 8.177 8.894 ( -0.378 -7.060 -5.752) 9.114 9.038 ( -6.425 -2.163 -2.066) 7.087 9.292 ( 12.706 11.151 -4.299) 17.443 9.765 ( -14.484 8.450 7.149) 18.230 10.072 ( 5.567 3.158 15.172) 16.467 10.495 ( -0.220 -1.811 -11.367) 11.512 11.559 ( 2.169 -4.051 8.698) 9.837 ======================= Grid point 20 (15/227) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -0.000 32.609 0.000) 32.609 0.718 ( -0.000 39.115 0.000) 39.115 1.128 ( -0.000 61.219 0.000) 61.219 3.894 ( -0.000 0.645 0.000) 0.645 4.083 ( 0.000 -9.243 -0.000) 9.243 4.720 ( 0.000 -0.426 -0.000) 0.426 4.734 ( 0.000 -1.590 -0.000) 1.590 5.339 ( 0.000 -8.324 -0.000) 8.324 5.663 ( 0.000 -15.027 -0.000) 15.027 5.797 ( -0.000 2.637 0.000) 2.637 6.072 ( -0.000 1.523 0.000) 1.523 6.278 ( 0.000 -4.683 -0.000) 4.683 6.640 ( -0.000 0.069 0.000) 0.069 6.887 ( 0.000 -0.539 -0.000) 0.539 7.116 ( 0.000 -2.772 -0.000) 2.772 7.186 ( -0.000 1.498 0.000) 1.498 7.397 ( -0.000 5.317 0.000) 5.317 7.627 ( 0.000 -2.649 -0.000) 2.649 7.882 ( 0.000 -2.445 -0.000) 2.445 8.174 ( -0.000 4.123 0.000) 4.123 8.523 ( 0.000 -14.227 -0.000) 14.227 8.624 ( 0.000 -1.457 -0.000) 1.457 8.725 ( -0.000 1.693 0.000) 1.693 8.930 ( 0.000 -2.801 -0.000) 2.801 8.987 ( 0.000 -7.574 -0.000) 7.574 9.382 ( -0.000 10.338 0.000) 10.338 9.457 ( -0.000 14.540 0.000) 14.540 10.140 ( -0.000 1.694 0.000) 1.694 10.507 ( 0.000 -5.806 -0.000) 5.806 11.637 ( 0.000 -1.988 -0.000) 1.988 ======================= Grid point 23 (16/227) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 25.634 -0.000 7.742) 26.778 2.502 ( 27.616 -0.000 19.482) 33.796 3.501 ( -13.709 0.000 1.261) 13.767 3.658 ( 26.071 -0.000 17.198) 31.233 3.939 ( 2.473 -0.000 -3.273) 4.102 4.102 ( -13.297 0.000 -0.878) 13.326 4.651 ( -7.015 0.000 -3.965) 8.058 4.924 ( 6.873 -0.000 -12.876) 14.596 5.405 ( -3.588 0.000 1.946) 4.082 5.740 ( -5.964 0.000 -12.970) 14.276 5.997 ( -14.711 0.000 17.375) 22.766 6.326 ( 6.207 -0.000 -4.702) 7.787 6.781 ( -4.440 0.000 0.737) 4.501 7.011 ( 6.460 -0.000 -1.731) 6.688 7.290 ( 3.155 -0.000 -0.469) 3.190 7.332 ( 4.232 -0.000 2.382) 4.857 7.421 ( -0.179 0.000 -2.433) 2.439 7.589 ( 5.947 -0.000 1.623) 6.164 7.904 ( -9.510 0.000 7.028) 11.825 8.038 ( -11.354 0.000 -0.311) 11.358 8.255 ( -1.427 0.000 -2.932) 3.261 8.447 ( -6.652 0.000 4.046) 7.786 8.498 ( -3.446 0.000 -2.798) 4.439 8.748 ( -0.061 0.000 -0.986) 0.988 8.935 ( 5.054 -0.000 -1.630) 5.310 9.239 ( -11.689 0.000 -15.048) 19.055 9.618 ( -0.250 0.000 10.825) 10.828 10.096 ( 11.194 -0.000 0.888) 11.229 10.423 ( -4.513 0.000 8.550) 9.668 11.602 ( -2.701 0.000 -1.219) 2.964 ======================= Grid point 24 (17/227) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 13.513 7.698 6.971) 17.043 3.022 ( 20.598 -2.274 17.125) 26.883 3.333 ( -8.811 -3.210 0.352) 9.384 3.760 ( -5.652 5.131 7.987) 11.049 3.902 ( -8.805 0.160 -0.468) 8.819 4.059 ( -6.452 -11.040 5.161) 13.789 4.703 ( 11.394 2.398 -5.409) 12.838 5.038 ( 19.391 0.602 -8.177) 21.053 5.317 ( -8.151 2.555 2.114) 8.800 5.562 ( -5.192 0.879 -14.136) 15.085 5.897 ( -11.949 -3.042 17.815) 21.665 6.365 ( 4.640 2.623 -8.694) 10.198 6.707 ( -4.497 -0.287 -0.606) 4.547 7.081 ( 2.784 -1.134 -1.776) 3.492 7.276 ( 0.841 6.107 -1.439) 6.330 7.362 ( -2.149 1.803 -0.401) 2.833 7.448 ( 0.229 -8.299 -0.056) 8.303 7.658 ( 3.421 11.250 3.643) 12.310 7.831 ( -4.675 0.010 -3.096) 5.607 7.869 ( -2.827 -3.940 0.834) 4.921 8.286 ( 1.568 -5.314 -5.680) 7.934 8.368 ( -3.494 -1.742 1.587) 4.215 8.441 ( -1.915 -1.752 -1.848) 3.186 8.787 ( 2.074 0.493 0.135) 2.136 8.907 ( -6.980 -1.087 -4.450) 8.349 9.041 ( -0.766 -0.294 -11.868) 11.896 9.620 ( -4.758 0.308 4.622) 6.641 10.268 ( 8.686 4.707 8.342) 12.931 10.486 ( 0.918 -8.044 13.312) 15.580 11.510 ( -4.470 5.556 -2.117) 7.439 ======================= Grid point 25 (18/227) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -3.203 12.598 10.097) 16.459 3.080 ( -13.376 9.742 4.900) 17.258 3.471 ( 14.184 -3.294 3.239) 14.918 3.707 ( 2.410 2.602 -0.107) 3.549 3.819 ( -6.907 -7.782 4.288) 11.254 4.099 ( -4.849 -14.718 6.580) 16.835 4.699 ( 0.269 7.220 -3.699) 8.117 5.119 ( -11.408 8.731 -0.497) 14.375 5.347 ( 9.445 0.971 -6.102) 11.286 5.428 ( 5.229 -3.393 -12.725) 14.169 5.897 ( -4.653 -5.361 17.226) 18.631 6.330 ( 2.874 4.109 -11.831) 12.850 6.654 ( -2.104 -1.784 -1.866) 3.330 7.101 ( -0.019 -0.156 -1.619) 1.627 7.215 ( -2.199 3.767 1.384) 4.576 7.318 ( -1.578 0.603 2.234) 2.801 7.470 ( -5.455 1.611 -2.388) 6.169 7.538 ( -2.150 0.733 -2.716) 3.541 7.825 ( 3.520 -1.144 -0.435) 3.726 7.971 ( 8.005 -4.276 -3.189) 9.619 8.233 ( -2.882 2.005 -3.809) 5.180 8.403 ( -0.310 -2.131 -0.893) 2.331 8.509 ( 3.296 -8.576 0.023) 9.187 8.675 ( -3.974 1.298 -7.050) 8.197 8.945 ( 4.316 -6.017 -1.016) 7.474 8.981 ( 0.673 -1.511 -13.605) 13.706 9.551 ( -4.491 -0.706 0.479) 4.571 10.368 ( 3.812 8.681 14.305) 17.162 10.718 ( 4.735 -11.222 17.244) 21.112 11.337 ( -6.173 10.170 -3.311) 12.349 ======================= Grid point 26 (19/227) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -15.650 15.440 12.220) 25.153 2.718 ( -14.700 21.687 2.255) 26.296 3.585 ( 3.159 -1.213 -12.902) 13.338 3.828 ( -4.736 -8.868 9.117) 13.572 3.851 ( 7.731 -3.765 3.916) 9.449 4.250 ( 4.056 -13.703 2.259) 14.468 4.548 ( -12.853 17.738 3.997) 22.267 4.842 ( -3.341 6.790 -3.678) 8.414 5.246 ( -6.069 -7.019 -13.427) 16.321 5.632 ( 12.957 -0.329 -2.145) 13.137 5.993 ( -2.691 -5.654 12.115) 13.637 6.279 ( 3.148 1.676 -12.050) 12.566 6.653 ( 0.663 -2.989 -3.279) 4.486 7.047 ( -4.331 3.253 0.195) 5.420 7.172 ( -3.370 -0.473 4.146) 5.364 7.302 ( -1.680 6.436 -4.655) 8.119 7.352 ( -0.251 -2.100 2.633) 3.377 7.519 ( -3.743 -6.586 -3.505) 8.347 7.929 ( 6.944 -2.399 -3.670) 8.212 8.112 ( 5.548 -5.474 -3.056) 8.372 8.157 ( -1.980 1.665 -2.782) 3.799 8.380 ( -0.576 0.012 -3.955) 3.997 8.527 ( -2.224 -1.004 1.086) 2.671 8.720 ( 6.565 -1.329 -2.701) 7.223 8.985 ( 7.692 -7.444 -18.277) 21.182 9.056 ( 1.650 -7.227 -2.283) 7.756 9.541 ( 0.586 -4.928 1.268) 5.122 10.386 ( -0.695 12.013 16.406) 20.346 10.998 ( 4.383 -10.238 17.500) 20.743 11.101 ( -6.410 13.185 -3.900) 15.171 ======================= Grid point 27 (20/227) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -22.350 18.949 10.547) 31.142 2.275 ( -10.948 30.749 -0.579) 32.645 3.496 ( -3.052 14.728 -13.978) 20.533 3.813 ( -8.714 0.121 2.032) 8.949 3.926 ( -6.410 5.544 5.039) 9.860 4.235 ( 3.281 -2.000 1.509) 4.128 4.509 ( 8.895 -14.779 1.607) 17.324 4.853 ( -0.556 -4.018 6.075) 7.305 5.168 ( -3.606 -8.935 -12.586) 15.850 5.808 ( 9.679 -1.095 -3.061) 10.210 6.016 ( -5.291 -2.537 8.103) 10.005 6.265 ( 2.601 -0.838 -9.751) 10.127 6.678 ( 1.665 -2.072 -4.239) 5.003 6.944 ( -5.228 2.363 2.513) 6.263 7.143 ( -3.509 -0.523 3.431) 4.935 7.202 ( -1.548 2.105 -5.834) 6.393 7.419 ( 2.651 -1.558 2.450) 3.931 7.521 ( 0.515 -4.101 -2.099) 4.636 7.954 ( -2.048 -0.923 -5.631) 6.062 8.085 ( -8.176 -7.301 -2.321) 11.204 8.260 ( 8.496 -7.013 -2.473) 11.291 8.386 ( 1.715 2.183 -1.341) 3.083 8.548 ( 6.918 1.184 -2.495) 7.449 8.784 ( 1.530 -2.631 -2.598) 4.001 9.059 ( -1.173 -3.084 -5.431) 6.355 9.164 ( 12.228 -7.162 -10.969) 17.920 9.674 ( 3.504 -10.839 3.688) 11.973 10.313 ( -3.370 15.447 15.585) 22.200 10.821 ( -7.602 13.015 -6.689) 16.490 11.267 ( 5.215 -7.521 15.887) 18.335 ======================= Grid point 28 (21/227) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -18.365 25.167 6.401) 31.806 1.822 ( -6.023 36.111 -1.691) 36.649 2.911 ( -15.167 49.720 -9.170) 52.784 3.771 ( 0.447 -8.232 -1.278) 8.342 3.906 ( -1.442 -1.795 3.023) 3.799 4.440 ( 6.512 -12.566 1.797) 14.267 4.722 ( 0.336 -5.232 1.679) 5.505 4.975 ( 1.641 -18.486 8.671) 20.484 5.159 ( -0.051 -9.263 -10.535) 14.029 5.875 ( 0.131 -0.531 -5.512) 5.539 6.037 ( 2.706 0.162 7.753) 8.213 6.243 ( -1.126 -1.598 -7.764) 8.006 6.679 ( 0.247 0.779 -3.178) 3.281 6.887 ( -2.062 0.432 2.307) 3.124 7.095 ( -2.811 -1.052 -4.730) 5.602 7.175 ( 0.006 -1.246 3.026) 3.273 7.488 ( 4.180 -0.329 1.095) 4.334 7.557 ( 2.286 2.233 -1.423) 3.498 7.880 ( -3.169 -0.910 -5.137) 6.104 8.062 ( -7.613 -18.044 0.907) 19.606 8.322 ( -2.557 2.850 -0.648) 3.883 8.459 ( 7.096 -5.737 -1.925) 9.325 8.682 ( 11.097 1.006 -2.419) 11.402 8.798 ( -0.587 -3.887 -3.725) 5.415 8.998 ( -6.271 -1.933 -1.871) 6.824 9.374 ( 14.743 -1.218 -7.500) 16.586 9.790 ( -6.895 -7.353 5.975) 11.718 10.232 ( 2.766 13.880 14.254) 20.087 10.557 ( -6.383 9.252 -10.384) 15.303 11.473 ( 3.769 -5.494 10.041) 12.051 ======================= Grid point 29 (22/227) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -0.000 30.556 0.000) 30.556 1.427 ( -0.000 38.190 0.000) 38.190 2.229 ( -0.000 58.707 0.000) 58.707 3.874 ( 0.000 -10.631 -0.000) 10.631 3.910 ( 0.000 -1.026 -0.000) 1.026 4.628 ( 0.000 -10.871 -0.000) 10.871 4.711 ( 0.000 -0.422 -0.000) 0.422 5.187 ( 0.000 -7.305 -0.000) 7.305 5.271 ( 0.000 -26.011 -0.000) 26.011 5.836 ( -0.000 1.544 0.000) 1.544 6.114 ( -0.000 2.930 0.000) 2.930 6.198 ( 0.000 -4.119 -0.000) 4.119 6.654 ( -0.000 1.620 0.000) 1.620 6.880 ( 0.000 -0.161 -0.000) 0.161 7.069 ( 0.000 -2.166 -0.000) 2.166 7.202 ( 0.000 -0.386 -0.000) 0.386 7.508 ( -0.000 6.536 0.000) 6.536 7.569 ( 0.000 -3.159 -0.000) 3.159 7.843 ( 0.000 -1.489 -0.000) 1.489 8.192 ( 0.000 -21.016 -0.000) 21.016 8.256 ( -0.000 4.446 0.000) 4.446 8.565 ( 0.000 -5.062 -0.000) 5.062 8.754 ( -0.000 1.244 0.000) 1.244 8.871 ( 0.000 -3.917 -0.000) 3.917 8.900 ( 0.000 -1.919 -0.000) 1.919 9.515 ( -0.000 2.571 0.000) 2.571 9.678 ( -0.000 6.908 0.000) 6.908 10.252 ( -0.000 11.502 0.000) 11.502 10.401 ( 0.000 -3.375 -0.000) 3.375 11.581 ( 0.000 -4.182 -0.000) 4.182 ======================= Grid point 34 (23/227) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -3.165 0.000 5.463) 6.313 3.175 ( -6.349 0.000 11.816) 13.414 3.467 ( 16.140 -0.000 12.970) 20.706 3.694 ( -6.013 0.000 -9.338) 11.107 3.817 ( -1.570 0.000 -1.292) 2.033 3.882 ( -9.558 0.000 15.174) 17.934 4.781 ( 3.081 -0.000 -7.777) 8.365 5.187 ( -11.185 0.000 0.640) 11.204 5.377 ( -6.655 0.000 -16.015) 17.343 5.382 ( 22.258 -0.000 -3.516) 22.534 5.844 ( -6.113 0.000 18.885) 19.850 6.375 ( 2.110 -0.000 -11.574) 11.765 6.637 ( -2.765 0.000 -1.702) 3.247 7.088 ( 0.155 -0.000 -1.084) 1.095 7.288 ( -3.333 0.000 0.658) 3.397 7.353 ( -2.324 0.000 2.650) 3.525 7.360 ( -2.484 0.000 -2.541) 3.553 7.640 ( -10.020 0.000 -3.902) 10.753 7.823 ( 2.274 -0.000 -2.076) 3.079 7.913 ( 11.947 -0.000 -3.452) 12.436 8.305 ( 5.005 -0.000 -5.835) 7.688 8.308 ( -1.711 0.000 2.256) 2.832 8.418 ( 1.888 -0.000 -2.377) 3.036 8.700 ( -7.311 0.000 -7.831) 10.714 8.874 ( 5.613 -0.000 -1.014) 5.704 8.971 ( -1.358 0.000 -13.431) 13.499 9.548 ( -5.334 0.000 0.382) 5.348 10.520 ( 9.267 -0.000 15.348) 17.929 10.545 ( 0.888 -0.000 19.423) 19.443 11.433 ( -6.615 0.000 -2.812) 7.188 ======================= Grid point 35 (24/227) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -16.341 5.986 10.827) 20.496 3.108 ( -2.957 16.619 7.968) 18.666 3.522 ( -2.903 -4.123 -11.313) 12.386 3.666 ( -4.289 -6.912 9.266) 12.330 3.839 ( 1.835 2.145 5.908) 6.548 4.001 ( 8.067 -11.290 4.137) 14.479 4.754 ( 0.637 6.799 -0.747) 6.869 4.998 ( -10.523 1.234 -1.395) 10.687 5.160 ( -8.198 1.792 -16.972) 18.933 5.630 ( 11.031 -0.268 -0.250) 11.037 5.899 ( -1.431 -3.590 12.273) 12.867 6.315 ( 0.721 1.661 -12.381) 12.513 6.613 ( 0.686 -1.193 -2.556) 2.903 7.078 ( -1.463 -0.525 -1.135) 1.925 7.191 ( -6.608 3.478 3.043) 8.063 7.311 ( -3.161 -3.006 1.131) 4.507 7.356 ( -2.008 -2.150 -0.065) 2.942 7.459 ( -6.784 2.218 -4.160) 8.261 7.891 ( 7.628 -1.313 -5.364) 9.417 8.035 ( 4.702 -2.355 -5.863) 7.876 8.236 ( -2.682 5.826 -4.406) 7.781 8.377 ( 2.866 -0.940 0.200) 3.023 8.477 ( 0.686 -4.424 1.563) 4.742 8.672 ( 9.701 -2.644 -7.564) 12.583 8.877 ( 1.318 -2.684 -17.099) 17.358 8.961 ( 4.775 -2.823 -3.979) 6.827 9.483 ( -3.402 -1.460 0.726) 3.772 10.599 ( 1.218 10.696 19.496) 22.271 10.815 ( 5.727 -9.592 19.329) 22.326 11.275 ( -7.830 5.085 -3.380) 9.930 ======================= Grid point 36 (25/227) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -19.295 12.247 12.014) 25.819 2.837 ( -5.401 29.061 -0.300) 29.560 3.546 ( 4.048 -4.992 -8.697) 10.814 3.707 ( -4.317 -7.384 8.304) 11.921 3.888 ( -0.243 -7.494 4.169) 8.579 4.251 ( 5.873 -11.109 0.756) 12.589 4.553 ( -11.290 22.641 2.946) 25.471 4.857 ( -0.472 5.401 -4.326) 6.936 4.998 ( -3.522 -9.014 -11.783) 15.248 5.786 ( 8.025 -2.406 -0.487) 8.393 5.949 ( -4.360 -4.144 8.120) 10.105 6.259 ( 1.585 0.317 -10.138) 10.266 6.645 ( 3.527 -1.370 -3.131) 4.911 7.000 ( -5.599 3.415 0.855) 6.613 7.114 ( -4.719 -2.196 1.733) 5.486 7.237 ( -5.704 0.132 -4.396) 7.202 7.380 ( 1.666 -3.784 2.206) 4.686 7.407 ( -0.445 -4.026 1.303) 4.255 7.933 ( -1.204 0.226 -6.097) 6.218 8.047 ( -7.774 -0.070 -6.494) 10.130 8.141 ( 6.566 -4.815 -5.309) 9.720 8.427 ( 2.414 2.526 0.811) 3.587 8.558 ( 7.249 -0.530 0.239) 7.272 8.750 ( 0.426 -1.022 -3.795) 3.953 9.002 ( 8.917 -7.015 -10.074) 15.173 9.016 ( 10.371 -3.814 -10.585) 15.302 9.496 ( -1.149 -7.169 3.604) 8.106 10.584 ( -1.858 13.532 16.624) 21.516 11.000 ( -5.924 3.086 1.624) 6.874 11.150 ( 2.819 -2.856 11.430) 12.114 ======================= Grid point 37 (26/227) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -13.584 19.767 7.565) 25.149 2.461 ( -4.101 32.896 -2.444) 33.241 3.574 ( 4.682 5.857 -6.435) 9.881 3.727 ( -6.082 7.722 8.497) 12.993 3.913 ( -4.576 7.648 -1.259) 9.002 4.182 ( -2.863 -10.286 -0.735) 10.702 4.528 ( 5.676 -12.440 2.193) 13.849 4.781 ( -4.280 -1.528 -2.221) 5.058 5.026 ( 1.562 -6.131 -4.863) 7.980 5.876 ( 2.306 0.361 -5.990) 6.429 5.991 ( -0.325 -6.231 10.743) 12.423 6.229 ( 0.230 0.277 -7.291) 7.300 6.694 ( 3.369 0.640 -2.749) 4.395 6.907 ( -3.420 1.755 2.178) 4.418 7.072 ( -2.840 -1.859 -2.904) 4.467 7.144 ( -3.928 -1.738 0.507) 4.325 7.466 ( 2.763 -1.705 1.856) 3.740 7.510 ( 4.716 -9.678 1.932) 10.938 7.820 ( -9.255 -3.623 -4.551) 10.932 7.898 ( -4.298 1.522 -5.059) 6.811 8.287 ( 3.660 -7.020 -1.576) 8.072 8.425 ( 1.793 2.676 -0.786) 3.316 8.691 ( 8.652 -0.142 -0.968) 8.707 8.745 ( 0.145 -1.865 -2.718) 3.299 8.976 ( -3.367 -0.274 -3.206) 4.657 9.299 ( 17.426 -6.240 -10.331) 21.198 9.585 ( -4.276 -11.967 6.225) 14.151 10.502 ( -1.100 13.901 11.276) 17.933 10.775 ( -6.983 12.827 -4.990) 15.434 11.353 ( 3.685 -7.681 10.210) 13.297 ======================= Grid point 38 (27/227) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -0.000 25.727 0.000) 25.727 2.105 ( -0.000 35.469 0.000) 35.469 3.250 ( -0.000 51.556 0.000) 51.556 3.679 ( 0.000 -8.855 -0.000) 8.855 3.893 ( 0.000 -2.200 -0.000) 2.200 4.348 ( 0.000 -18.782 -0.000) 18.782 4.699 ( 0.000 -3.552 -0.000) 3.552 4.799 ( 0.000 -20.424 -0.000) 20.424 5.075 ( 0.000 -5.270 -0.000) 5.270 5.858 ( -0.000 0.926 0.000) 0.926 6.108 ( 0.000 -6.490 -0.000) 6.490 6.173 ( -0.000 3.297 0.000) 3.297 6.695 ( -0.000 2.528 0.000) 2.528 6.882 ( -0.000 0.432 0.000) 0.432 7.040 ( 0.000 -0.916 -0.000) 0.916 7.158 ( 0.000 -4.232 -0.000) 4.232 7.519 ( 0.000 -2.454 -0.000) 2.454 7.628 ( -0.000 6.287 0.000) 6.287 7.790 ( 0.000 -21.831 -0.000) 21.831 7.834 ( -0.000 0.788 0.000) 0.788 8.321 ( -0.000 1.328 0.000) 1.328 8.461 ( 0.000 -4.605 -0.000) 4.605 8.751 ( 0.000 -2.163 -0.000) 2.163 8.805 ( 0.000 -2.258 -0.000) 2.258 8.901 ( -0.000 1.533 0.000) 1.533 9.497 ( 0.000 -3.027 -0.000) 3.027 9.632 ( 0.000 -10.827 -0.000) 10.827 10.454 ( -0.000 8.070 0.000) 8.070 10.532 ( -0.000 17.444 0.000) 17.444 11.482 ( 0.000 -6.727 -0.000) 6.727 ======================= Grid point 45 (28/227) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -17.953 0.000 12.233) 21.725 3.275 ( -8.807 0.000 -13.280) 15.935 3.329 ( 8.179 -0.000 9.182) 12.297 3.633 ( -2.679 0.000 8.396) 8.813 3.817 ( -3.877 0.000 0.321) 3.891 4.138 ( 6.971 -0.000 1.495) 7.129 4.783 ( -11.694 0.000 -2.362) 11.930 4.848 ( 4.856 -0.000 0.461) 4.878 5.004 ( -4.510 0.000 -11.127) 12.006 5.731 ( 1.864 -0.000 4.302) 4.689 5.911 ( -0.616 0.000 2.701) 2.770 6.266 ( 0.897 -0.000 -10.039) 10.079 6.632 ( 4.010 -0.000 -2.568) 4.762 7.034 ( -3.163 0.000 -1.201) 3.383 7.103 ( -8.283 0.000 3.937) 9.171 7.196 ( -5.151 0.000 -3.191) 6.059 7.351 ( -4.849 0.000 -1.262) 5.010 7.384 ( 2.175 -0.000 2.887) 3.615 7.954 ( 1.241 -0.000 -5.695) 5.829 8.020 ( -0.245 0.000 -4.533) 4.539 8.113 ( -3.280 0.000 -10.890) 11.373 8.468 ( 0.645 -0.000 1.139) 1.309 8.535 ( 9.961 -0.000 3.356) 10.511 8.742 ( 0.444 -0.000 -3.647) 3.674 8.908 ( 19.003 -0.000 -16.306) 25.040 8.994 ( 4.153 -0.000 -6.345) 7.583 9.431 ( -3.193 0.000 3.490) 4.730 10.749 ( -3.569 0.000 15.656) 16.058 10.952 ( 5.217 -0.000 16.556) 17.359 11.164 ( -6.425 0.000 -1.200) 6.536 ======================= Grid point 47 (29/227) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -11.479 7.908 8.116) 16.130 2.982 ( -4.449 21.294 -6.078) 22.587 3.554 ( 6.010 -3.960 -2.239) 7.538 3.679 ( 0.968 -5.037 12.788) 13.779 3.804 ( -1.067 -9.559 0.315) 9.624 4.167 ( -4.796 -4.043 -5.822) 8.559 4.577 ( -7.316 8.438 0.408) 11.175 4.868 ( 0.544 10.770 -5.416) 12.068 4.941 ( 3.193 -2.613 -0.032) 4.127 5.807 ( 0.815 -9.408 2.749) 9.836 5.896 ( -1.865 -0.012 -0.127) 1.870 6.242 ( 1.387 0.651 -5.139) 5.362 6.698 ( 5.171 -0.107 -2.032) 5.557 6.951 ( -4.581 2.788 1.040) 5.463 7.031 ( -3.328 -2.110 1.538) 4.230 7.107 ( -5.251 -2.477 -3.892) 6.990 7.332 ( -0.447 -5.644 2.013) 6.009 7.436 ( 1.878 -1.130 1.858) 2.873 7.820 ( -7.506 0.853 -6.033) 9.668 7.961 ( -1.341 4.452 -3.597) 5.879 8.151 ( 4.394 -6.477 -4.047) 8.811 8.478 ( 1.318 2.124 0.146) 2.504 8.688 ( 5.992 -0.012 1.774) 6.249 8.721 ( 0.406 -0.848 -2.524) 2.694 8.995 ( 1.316 2.235 -5.418) 6.007 9.164 ( 16.166 -6.942 -11.439) 20.985 9.434 ( -2.957 -3.853 7.100) 8.602 10.693 ( -5.180 5.907 6.213) 10.017 10.997 ( -2.159 11.317 2.949) 11.893 11.192 ( 1.968 -9.845 8.397) 13.089 ======================= Grid point 48 (30/227) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -0.000 15.733 0.000) 15.733 2.700 ( -0.000 28.382 0.000) 28.382 3.580 ( 0.000 -1.500 -0.000) 1.500 3.817 ( 0.000 -5.831 -0.000) 5.831 3.980 ( 0.000 -20.094 -0.000) 20.094 3.985 ( -0.000 20.501 0.000) 20.501 4.479 ( 0.000 -1.946 -0.000) 1.946 4.774 ( -0.000 6.838 0.000) 6.838 4.993 ( 0.000 -3.432 -0.000) 3.432 5.873 ( -0.000 0.696 0.000) 0.696 5.936 ( 0.000 -12.421 -0.000) 12.421 6.225 ( -0.000 2.157 0.000) 2.157 6.734 ( -0.000 1.528 0.000) 1.528 6.897 ( -0.000 1.315 0.000) 1.315 7.035 ( -0.000 0.175 0.000) 0.175 7.066 ( 0.000 -5.353 -0.000) 5.353 7.441 ( 0.000 -14.351 -0.000) 14.351 7.476 ( 0.000 -2.483 -0.000) 2.483 7.717 ( -0.000 2.858 0.000) 2.858 7.888 ( -0.000 5.232 0.000) 5.232 8.243 ( 0.000 -7.623 -0.000) 7.623 8.466 ( -0.000 3.025 0.000) 3.025 8.710 ( 0.000 -1.257 -0.000) 1.257 8.774 ( 0.000 -1.762 -0.000) 1.762 8.949 ( -0.000 3.678 0.000) 3.678 9.383 ( 0.000 -13.958 -0.000) 13.958 9.445 ( 0.000 -2.141 -0.000) 2.141 10.607 ( -0.000 6.946 0.000) 6.946 10.848 ( -0.000 16.401 0.000) 16.401 11.332 ( 0.000 -9.734 -0.000) 9.734 ======================= Grid point 58 (31/227) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -0.000 0.000 0.000) 0.000 3.021 ( -0.000 0.000 0.000) 0.000 3.596 ( -0.000 0.000 0.000) 0.000 3.730 ( -0.000 0.000 0.000) 0.000 3.735 ( 0.000 -0.000 -0.000) 0.000 4.058 ( -0.000 0.000 0.000) 0.000 4.545 ( -0.000 0.000 0.000) 0.000 4.937 ( -0.000 0.000 0.000) 0.000 4.960 ( -0.000 0.000 0.000) 0.000 5.758 ( -0.000 0.000 0.000) 0.000 5.880 ( -0.000 0.000 0.000) 0.000 6.245 ( -0.000 0.000 0.000) 0.000 6.748 ( -0.000 0.000 0.000) 0.000 6.925 ( 0.000 -0.000 -0.000) 0.000 6.993 ( -0.000 0.000 0.000) 0.000 7.038 ( -0.000 0.000 0.000) 0.000 7.304 ( -0.000 0.000 0.000) 0.000 7.451 ( -0.000 0.000 0.000) 0.000 7.739 ( -0.000 0.000 0.000) 0.000 7.971 ( -0.000 0.000 0.000) 0.000 8.139 ( -0.000 0.000 0.000) 0.000 8.501 ( -0.000 0.000 0.000) 0.000 8.705 ( -0.000 0.000 0.000) 0.000 8.751 ( -0.000 0.000 0.000) 0.000 9.009 ( -0.000 0.000 0.000) 0.000 9.218 ( -0.000 0.000 0.000) 0.000 9.425 ( -0.000 0.000 0.000) 0.000 10.674 ( -0.000 0.000 0.000) 0.000 11.102 ( 0.000 -0.000 -0.000) 0.000 11.140 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/227) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 8.464 -0.000 36.220) 37.196 0.808 ( -11.679 0.000 37.092) 38.888 1.257 ( 1.529 -0.000 57.812) 57.833 3.901 ( -1.478 0.000 1.280) 1.956 4.161 ( 1.947 -0.000 -1.378) 2.385 4.648 ( -4.503 0.000 -3.389) 5.636 4.675 ( -2.395 0.000 -7.357) 7.737 5.440 ( 2.169 -0.000 0.943) 2.365 5.800 ( -2.163 0.000 0.270) 2.180 5.960 ( -5.759 0.000 -3.165) 6.572 6.068 ( -1.542 0.000 -8.805) 8.939 6.669 ( 2.231 -0.000 2.200) 3.133 6.861 ( 0.750 -0.000 -2.516) 2.625 6.987 ( -22.035 0.000 -2.452) 22.171 7.167 ( 5.987 -0.000 0.573) 6.014 7.216 ( 11.580 -0.000 2.542) 11.855 7.235 ( -1.823 0.000 2.222) 2.874 7.542 ( 34.933 -0.000 3.789) 35.137 7.650 ( 4.148 -0.000 -0.535) 4.182 8.096 ( 1.873 -0.000 -4.024) 4.439 8.184 ( 2.305 -0.000 4.817) 5.340 8.671 ( -1.163 0.000 -0.805) 1.414 8.871 ( -2.398 0.000 -0.892) 2.558 8.879 ( 11.763 -0.000 -7.489) 13.945 9.172 ( -6.851 0.000 3.742) 7.807 9.234 ( 11.620 -0.000 -1.067) 11.668 9.550 ( -15.691 0.000 0.489) 15.698 9.785 ( -0.952 0.000 -13.175) 13.209 10.396 ( -2.205 0.000 12.293) 12.489 11.706 ( -2.929 0.000 2.124) 3.618 ======================= Grid point 106 (33/227) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 14.939 -7.943 26.053) 31.065 1.258 ( 20.283 -2.534 31.065) 37.187 1.921 ( 27.065 -20.228 42.518) 54.309 3.902 ( 1.056 1.407 -2.419) 2.991 4.085 ( -6.852 4.007 -0.463) 7.951 4.566 ( -4.309 0.295 -5.130) 6.706 4.642 ( 2.476 -1.497 -7.106) 7.673 5.427 ( -4.651 7.242 1.120) 8.679 5.529 ( -16.178 3.523 -0.575) 16.567 5.957 ( -4.143 1.700 -9.768) 10.746 5.993 ( 6.385 1.003 0.256) 6.468 6.653 ( -7.340 10.039 8.780) 15.223 6.736 ( 2.477 -0.717 2.591) 3.655 6.864 ( 1.242 1.140 -1.708) 2.400 7.231 ( 1.514 3.982 3.868) 5.754 7.264 ( 1.597 -2.941 5.703) 6.613 7.342 ( -0.749 -10.773 0.612) 10.816 7.451 ( -9.024 0.500 -4.540) 10.114 8.083 ( 15.080 0.670 -1.060) 15.132 8.203 ( 7.436 5.376 -0.638) 9.198 8.342 ( 10.648 -6.013 -5.719) 13.500 8.615 ( -0.024 3.750 -1.734) 4.131 8.773 ( -7.766 4.069 1.237) 8.854 8.958 ( -8.655 -6.982 0.813) 11.150 9.130 ( 2.372 3.169 1.639) 4.284 9.232 ( -8.524 -4.154 5.734) 11.081 9.491 ( 12.749 -3.278 -5.280) 14.183 9.717 ( -4.102 -0.645 -13.148) 13.788 10.550 ( 6.430 -4.090 2.689) 8.081 11.617 ( -4.796 6.942 2.771) 8.881 ======================= Grid point 107 (34/227) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 24.448 -7.068 13.156) 28.648 1.781 ( 24.438 -0.858 23.238) 33.734 2.821 ( 33.393 -24.960 25.870) 49.064 3.850 ( -3.478 3.869 -2.804) 5.910 3.961 ( -3.414 0.295 0.173) 3.432 4.411 ( -9.648 4.680 -3.462) 11.268 4.671 ( 3.131 -1.568 -6.018) 6.963 5.077 ( -17.748 10.996 -2.564) 21.036 5.449 ( -1.318 0.639 1.174) 1.877 5.796 ( -6.443 2.085 -10.576) 12.558 6.078 ( 5.567 2.442 -0.729) 6.123 6.538 ( -6.905 3.894 9.983) 12.747 6.816 ( 4.788 -1.907 -0.700) 5.201 6.851 ( -0.256 2.222 0.129) 2.241 7.191 ( -3.198 3.494 2.227) 5.234 7.311 ( 0.115 2.648 -1.073) 2.860 7.400 ( 3.400 -4.458 3.571) 6.647 7.446 ( 1.261 -8.237 -0.816) 8.372 8.120 ( -1.961 7.856 0.973) 8.155 8.294 ( 5.158 -0.102 -1.236) 5.305 8.424 ( -0.073 -0.729 1.390) 1.571 8.581 ( -3.158 3.147 2.513) 5.118 8.601 ( -7.422 4.913 2.351) 9.206 8.882 ( -11.395 1.450 -4.060) 12.183 8.965 ( -3.718 -10.453 -3.544) 11.647 9.405 ( 0.423 -2.133 6.286) 6.652 9.581 ( 1.183 -1.122 -8.108) 8.270 9.729 ( 13.284 -5.260 -1.174) 14.336 10.631 ( -0.125 -2.880 -0.015) 2.883 11.468 ( -2.569 12.934 -2.543) 13.430 ======================= Grid point 108 (35/227) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 22.333 -2.606 9.224) 24.303 2.306 ( 27.561 -1.219 12.888) 30.450 3.604 ( 19.765 -14.858 2.060) 24.812 3.760 ( 1.110 -0.987 3.995) 4.262 3.960 ( 1.108 -1.934 1.872) 2.911 4.160 ( -10.711 6.026 -1.857) 12.430 4.669 ( -5.726 5.577 -0.555) 8.012 4.749 ( -5.077 1.545 -2.687) 5.949 5.432 ( -1.362 -0.211 -0.705) 1.548 5.606 ( -7.524 1.888 -9.878) 12.560 6.094 ( 2.476 6.020 -3.631) 7.454 6.462 ( -8.039 -0.651 10.359) 13.129 6.810 ( -1.908 1.663 -0.772) 2.646 6.914 ( 5.358 -1.812 -1.831) 5.945 7.139 ( -0.319 1.457 -1.196) 1.912 7.297 ( 2.311 3.653 0.163) 4.326 7.461 ( 1.980 2.609 0.073) 3.276 7.577 ( 2.142 -9.618 3.982) 10.628 7.987 ( -6.843 3.300 -1.695) 7.783 8.240 ( -11.915 1.278 5.163) 13.048 8.392 ( -3.708 0.827 -1.100) 3.955 8.492 ( -2.774 5.765 3.090) 7.105 8.555 ( 1.578 -1.420 -1.695) 2.717 8.713 ( -3.616 1.233 -2.927) 4.813 9.012 ( -2.123 -9.654 -6.291) 11.716 9.273 ( -11.086 -0.394 1.604) 11.209 9.700 ( 5.058 1.255 4.135) 6.652 9.962 ( 10.114 -2.561 3.125) 10.891 10.666 ( 1.417 -7.936 -1.300) 8.166 11.275 ( -0.453 17.440 -7.681) 19.062 ======================= Grid point 109 (36/227) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 15.031 2.617 10.061) 18.276 2.798 ( 25.335 -1.343 4.855) 25.831 3.551 ( -11.229 0.183 -6.545) 12.999 3.743 ( -11.917 6.546 -1.544) 13.684 3.978 ( 2.694 3.988 -2.759) 5.547 4.290 ( 15.331 -7.404 -5.511) 17.895 4.476 ( -2.625 6.187 -0.598) 6.747 4.877 ( 7.929 -9.188 9.131) 15.188 5.372 ( -7.729 0.514 -0.643) 7.772 5.435 ( -5.203 -1.824 -10.250) 11.639 6.015 ( 0.880 9.085 -5.982) 10.913 6.415 ( -8.052 -3.773 11.562) 14.586 6.749 ( -3.249 1.293 -0.814) 3.590 6.990 ( 4.180 -1.906 -3.753) 5.932 7.142 ( 1.199 -1.585 -1.086) 2.265 7.317 ( 3.039 3.450 1.629) 4.877 7.428 ( -0.874 6.015 -0.980) 6.157 7.689 ( -0.154 -5.865 2.276) 6.293 7.853 ( -6.145 -0.379 -0.962) 6.231 8.083 ( -9.206 -1.881 3.842) 10.152 8.280 ( -4.462 4.242 -3.051) 6.871 8.433 ( -1.971 -0.769 -2.677) 3.412 8.602 ( -0.024 -5.190 0.642) 5.230 8.702 ( 6.135 4.881 -2.015) 8.095 8.945 ( -7.499 -2.994 -6.825) 10.573 9.200 ( -7.278 -7.871 8.919) 13.945 9.674 ( -4.341 5.745 -0.172) 7.202 10.140 ( 8.228 1.394 7.687) 11.346 10.837 ( 7.905 -12.491 -0.945) 14.813 11.052 ( 0.388 19.964 -10.345) 22.489 ======================= Grid point 110 (37/227) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -0.274 10.160 13.058) 16.547 3.030 ( -2.854 1.909 -4.997) 6.063 3.414 ( -8.271 5.844 -10.223) 14.390 3.474 ( 7.375 2.062 -2.359) 8.013 3.975 ( 4.777 4.044 -3.884) 7.366 4.351 ( 1.662 0.946 -1.272) 2.297 4.616 ( 7.517 -2.610 1.734) 8.144 5.062 ( -0.432 0.450 -7.365) 7.391 5.183 ( -7.011 -2.419 7.066) 10.244 5.382 ( -1.841 -7.661 -8.210) 11.380 5.948 ( 4.716 5.845 -6.820) 10.145 6.401 ( -7.575 -4.923 11.835) 14.889 6.694 ( -1.661 -0.486 -2.094) 2.716 7.048 ( 2.670 -3.483 -3.048) 5.343 7.180 ( 1.211 -2.624 -1.165) 3.116 7.275 ( -5.091 6.722 -0.931) 8.483 7.380 ( 2.202 0.923 1.335) 2.736 7.692 ( -3.047 -0.621 -0.625) 3.172 7.821 ( 0.204 -1.507 1.091) 1.872 8.031 ( -3.188 -1.323 3.355) 4.814 8.175 ( -1.669 -0.839 -7.275) 7.511 8.430 ( 1.331 -1.618 -0.858) 2.264 8.603 ( -1.683 1.952 -1.326) 2.899 8.755 ( 0.418 -1.476 -5.280) 5.498 8.851 ( -1.682 -3.851 1.005) 4.321 9.248 ( -3.714 -9.785 10.708) 14.973 9.538 ( -2.548 4.375 -6.207) 8.010 10.271 ( 4.619 4.756 11.150) 12.972 10.806 ( 0.306 20.559 -12.229) 23.923 11.088 ( 8.937 -11.404 0.101) 14.489 ======================= Grid point 111 (38/227) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -20.374 17.888 4.816) 27.537 2.741 ( -23.938 13.229 0.781) 27.361 3.183 ( 3.273 1.341 -19.471) 19.789 3.744 ( 14.378 1.691 1.833) 14.593 4.041 ( 7.514 0.021 0.218) 7.517 4.291 ( -15.669 14.464 -1.086) 21.352 4.535 ( 1.004 -8.175 2.458) 8.595 5.057 ( -3.151 -5.981 8.099) 10.549 5.318 ( 13.054 -1.736 -5.614) 14.316 5.404 ( 1.523 -12.209 -7.711) 14.521 5.955 ( 5.366 2.267 -9.393) 11.053 6.374 ( -7.878 -2.699 8.851) 12.153 6.684 ( 0.059 -2.546 -3.209) 4.097 7.088 ( -6.266 2.804 -1.396) 7.005 7.111 ( 0.113 -5.175 -6.014) 7.935 7.209 ( 0.380 2.237 1.008) 2.483 7.440 ( 2.404 -1.427 3.213) 4.259 7.615 ( -5.217 1.769 -0.111) 5.510 7.869 ( 2.702 -1.857 -2.174) 3.934 8.008 ( 2.486 3.607 0.468) 4.406 8.197 ( 3.725 -5.528 -5.104) 8.396 8.436 ( -2.567 0.254 0.236) 2.590 8.596 ( 6.688 0.793 -1.303) 6.859 8.679 ( -7.497 -3.927 -1.678) 8.628 8.930 ( 1.735 -4.730 0.425) 5.056 9.310 ( -5.033 -6.234 -4.005) 8.958 9.553 ( 10.154 -2.078 6.151) 12.052 10.310 ( -1.164 7.426 12.141) 14.280 10.556 ( -0.323 17.913 -12.920) 22.089 11.311 ( 8.253 -7.699 -1.024) 11.333 ======================= Grid point 112 (39/227) ======================= q-point: (-0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -25.488 19.539 1.241) 32.139 2.138 ( -27.330 22.680 -4.423) 35.789 2.995 ( -24.072 10.932 -1.493) 26.481 3.752 ( -1.433 5.650 0.188) 5.831 3.967 ( 1.713 2.114 -3.441) 4.387 4.325 ( 13.799 -4.872 5.194) 15.529 4.780 ( 8.399 -11.663 4.183) 14.969 5.096 ( 0.350 -5.100 4.046) 6.520 5.364 ( -2.203 -4.824 -0.714) 5.351 5.667 ( 15.978 -9.746 -8.578) 20.588 5.954 ( 2.629 -0.214 -10.408) 10.737 6.306 ( -6.787 0.490 6.283) 9.261 6.688 ( -0.776 -2.637 -3.814) 4.701 6.945 ( -3.970 2.524 -3.259) 5.723 7.136 ( -0.977 -2.051 -4.832) 5.340 7.192 ( -1.021 -0.462 3.185) 3.376 7.490 ( -0.799 -1.045 2.571) 2.888 7.513 ( -3.992 2.762 0.823) 4.924 7.873 ( 1.309 0.025 -5.970) 6.112 8.102 ( 9.452 1.793 -0.723) 9.648 8.278 ( 4.345 -2.598 -2.959) 5.864 8.443 ( 3.446 -3.335 0.121) 4.797 8.589 ( -8.802 -5.881 0.607) 10.603 8.743 ( 10.817 -0.724 -0.128) 10.842 8.966 ( -0.426 -1.813 -1.588) 2.447 9.200 ( -5.800 0.028 -9.382) 11.030 9.870 ( 13.971 -6.861 13.033) 20.301 10.231 ( -7.104 8.811 10.856) 15.683 10.343 ( 0.209 11.055 -14.082) 17.904 11.474 ( 7.337 -3.349 -2.830) 8.547 ======================= Grid point 113 (40/227) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -23.433 20.451 8.395) 32.215 1.455 ( -26.778 28.050 -0.291) 38.781 2.272 ( -46.996 18.825 15.307) 52.889 3.846 ( 9.360 -4.776 -1.370) 10.597 3.984 ( 2.539 0.398 -3.097) 4.025 4.588 ( 8.277 -4.586 4.847) 10.632 4.897 ( -2.506 -2.287 0.501) 3.430 5.256 ( 3.073 -10.718 -1.145) 11.209 5.449 ( 8.985 -7.697 5.962) 13.249 5.897 ( 10.210 -1.173 -9.666) 14.109 5.938 ( -1.647 -8.615 -3.961) 9.624 6.249 ( -1.308 2.995 5.179) 6.124 6.657 ( -1.593 -0.256 -2.683) 3.131 6.891 ( -0.453 0.078 -2.127) 2.176 7.091 ( -0.420 1.104 -3.426) 3.624 7.217 ( -1.226 -2.938 3.858) 5.002 7.419 ( -3.765 4.022 2.927) 6.239 7.508 ( 1.354 0.795 0.158) 1.578 7.867 ( -0.276 -2.415 -6.810) 7.231 8.169 ( 3.371 5.295 -2.269) 6.675 8.340 ( 1.238 -0.691 -4.064) 4.304 8.556 ( -0.107 -6.336 1.985) 6.640 8.597 ( 7.598 -7.568 -0.170) 10.725 8.912 ( 4.520 -3.437 0.683) 5.719 8.941 ( 2.957 1.805 -6.950) 7.765 9.059 ( -1.795 5.969 -4.230) 7.533 10.030 ( -11.180 4.340 7.462) 14.124 10.130 ( -0.957 6.368 -2.306) 6.840 10.299 ( 10.377 -5.246 0.406) 11.635 11.579 ( 6.991 0.299 -4.266) 8.196 ======================= Grid point 114 (41/227) ======================= q-point: (-0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -17.090 16.800 24.059) 33.958 0.865 ( -14.049 26.097 24.765) 38.622 1.488 ( -46.244 13.834 35.037) 59.645 3.955 ( -2.109 -1.471 -2.682) 3.716 4.055 ( 8.497 -3.426 -1.904) 9.357 4.691 ( -1.532 -4.158 -0.059) 4.432 4.813 ( -5.512 3.357 -4.336) 7.775 5.362 ( 3.847 -5.846 -1.482) 7.154 5.726 ( 5.462 -7.634 0.734) 9.415 5.986 ( 9.342 -1.044 2.414) 9.705 6.027 ( -1.191 -13.976 -3.070) 14.359 6.346 ( 15.815 -1.897 17.248) 23.478 6.640 ( 0.685 0.365 0.371) 0.860 6.873 ( -0.459 -0.246 -2.483) 2.537 7.096 ( 4.057 0.809 -1.043) 4.266 7.228 ( -4.444 -3.762 3.110) 6.601 7.359 ( 0.438 7.095 6.153) 9.401 7.560 ( 5.940 2.440 -0.686) 6.458 7.712 ( -13.212 7.254 -12.890) 19.833 8.136 ( 0.132 1.234 0.448) 1.319 8.277 ( -5.692 3.161 -7.420) 9.871 8.623 ( 3.287 -3.053 -2.678) 5.224 8.798 ( 5.696 -6.939 -4.558) 10.068 8.883 ( -0.400 -0.002 -1.609) 1.658 9.015 ( 5.940 -3.600 1.046) 7.024 9.100 ( 12.460 6.423 1.821) 14.136 9.793 ( -17.756 2.151 6.277) 18.955 9.995 ( -3.531 2.951 -17.609) 18.201 10.466 ( -0.342 0.614 4.210) 4.269 11.661 ( 6.356 -0.120 -2.596) 6.866 ======================= Grid point 116 (42/227) ======================= q-point: ( 0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 27.682 -0.000 14.394) 31.200 1.808 ( 26.867 -0.000 24.848) 36.595 2.556 ( 36.514 -0.000 32.654) 48.985 3.910 ( 1.286 -0.000 -4.945) 5.109 3.939 ( -11.896 0.000 0.602) 11.912 4.464 ( -7.324 0.000 -4.325) 8.505 4.646 ( 3.733 -0.000 -5.524) 6.667 5.187 ( -21.762 0.000 -2.691) 21.928 5.452 ( -0.890 0.000 1.275) 1.555 5.818 ( -6.169 0.000 -11.990) 13.483 6.101 ( 6.092 -0.000 -0.462) 6.110 6.601 ( -11.556 0.000 11.449) 16.267 6.786 ( 4.676 -0.000 -1.153) 4.816 6.875 ( -0.436 0.000 0.097) 0.446 7.235 ( -3.016 0.000 2.136) 3.696 7.283 ( 1.833 -0.000 3.883) 4.294 7.352 ( 0.035 -0.000 -4.148) 4.149 7.393 ( 7.005 -0.000 -0.238) 7.009 8.254 ( 4.558 -0.000 0.344) 4.571 8.290 ( -2.055 0.000 4.899) 5.313 8.373 ( 1.841 -0.000 -6.753) 7.000 8.589 ( -11.287 0.000 5.829) 12.704 8.718 ( -4.932 0.000 1.250) 5.088 8.750 ( 1.183 -0.000 -3.292) 3.498 8.942 ( -16.637 0.000 -3.197) 16.941 9.377 ( 8.031 -0.000 4.788) 9.350 9.576 ( -1.903 0.000 -8.752) 8.956 9.683 ( 14.525 -0.000 0.599) 14.537 10.603 ( -0.224 0.000 0.756) 0.789 11.596 ( -2.647 0.000 -1.856) 3.233 ======================= Grid point 117 (43/227) ======================= q-point: ( 0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 27.995 -0.988 7.585) 29.021 2.347 ( 27.385 3.245 19.474) 33.760 3.355 ( 37.067 -8.965 17.369) 41.905 3.756 ( -10.178 -0.276 3.460) 10.753 3.901 ( -0.909 -2.214 -4.171) 4.809 4.270 ( -11.769 3.957 -2.460) 12.658 4.687 ( 3.468 -0.642 -3.208) 4.768 4.827 ( -17.896 3.249 -3.657) 18.552 5.439 ( -0.804 0.548 -1.806) 2.052 5.636 ( -7.598 0.984 -11.561) 13.870 6.170 ( 4.250 2.098 -2.032) 5.157 6.466 ( -12.034 0.748 11.914) 16.950 6.831 ( -1.187 0.323 -2.964) 3.209 6.880 ( 4.088 -1.175 -0.642) 4.301 7.190 ( 0.442 3.601 -3.045) 4.736 7.344 ( 1.412 -0.044 0.553) 1.517 7.400 ( 3.626 -6.373 1.397) 7.464 7.495 ( 6.109 0.570 0.239) 6.140 8.124 ( -8.025 11.168 -0.306) 13.756 8.257 ( -12.904 0.287 6.665) 14.526 8.336 ( -5.002 -7.252 -1.072) 8.875 8.485 ( -2.010 -3.123 -3.024) 4.790 8.601 ( -10.189 3.272 -0.202) 10.704 8.742 ( -1.195 1.282 -2.119) 2.750 8.844 ( 3.542 -5.919 -3.372) 7.678 9.274 ( -12.245 0.073 -4.104) 12.914 9.702 ( 8.249 -0.437 5.726) 10.051 9.941 ( 14.924 -0.052 6.031) 16.096 10.571 ( -3.182 -2.547 0.211) 4.082 11.509 ( -1.204 7.040 -6.593) 9.720 ======================= Grid point 118 (44/227) ======================= q-point: ( 0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 21.603 1.827 6.075) 22.515 2.832 ( 25.983 3.820 13.391) 29.479 3.549 ( -10.162 1.405 -1.047) 10.311 3.832 ( -5.677 2.410 -2.400) 6.618 4.011 ( 0.129 -0.138 2.457) 2.464 4.142 ( 16.086 -8.633 1.460) 18.315 4.547 ( -8.242 2.322 -1.984) 8.790 4.772 ( 6.742 -2.388 1.727) 7.358 5.372 ( -3.190 0.021 -12.128) 12.540 5.450 ( -8.111 2.025 -3.272) 8.977 6.159 ( 1.545 6.084 -5.359) 8.254 6.362 ( -10.393 -1.897 13.067) 16.803 6.763 ( -4.358 0.391 -1.517) 4.631 6.960 ( 5.186 -1.656 -4.650) 7.159 7.154 ( 1.436 3.013 -3.535) 4.862 7.365 ( 1.408 1.441 1.613) 2.581 7.506 ( 2.356 -4.070 -2.581) 5.365 7.585 ( 4.021 0.586 4.077) 5.756 7.883 ( -9.360 5.670 -2.424) 11.208 8.068 ( -12.225 0.192 6.479) 13.836 8.296 ( -6.328 -3.844 -5.009) 8.939 8.421 ( -4.490 -0.418 -4.722) 6.529 8.501 ( -2.162 -5.639 1.159) 6.150 8.756 ( 2.960 0.902 -1.515) 3.445 8.885 ( -1.608 -1.782 -4.236) 4.868 9.086 ( -10.233 -4.472 0.510) 11.179 9.743 ( -5.403 2.173 2.018) 6.163 10.197 ( 13.245 4.028 10.438) 17.338 10.643 ( 5.883 -8.167 3.274) 10.585 11.359 ( -0.740 12.380 -9.678) 15.732 ======================= Grid point 119 (45/227) ======================= q-point: ( 0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 10.468 6.233 10.578) 16.134 3.155 ( 3.116 12.626 3.200) 13.393 3.372 ( 0.645 -4.887 -0.402) 4.945 3.615 ( -7.790 8.270 -6.920) 13.303 3.998 ( -0.812 -2.479 0.519) 2.660 4.318 ( -2.129 -3.461 -1.935) 4.501 4.583 ( 11.036 -1.270 0.196) 11.111 5.018 ( 14.745 -4.635 0.266) 15.458 5.233 ( -8.418 1.640 -7.350) 11.295 5.265 ( -8.399 0.025 -7.007) 10.938 6.070 ( 1.124 7.160 -7.957) 10.763 6.319 ( -8.072 -3.692 14.312) 16.841 6.683 ( -4.024 -0.660 -2.231) 4.648 7.013 ( 3.569 -0.889 -4.962) 6.177 7.154 ( 2.518 0.409 -2.592) 3.637 7.379 ( -0.219 1.205 3.952) 4.137 7.454 ( -4.068 8.108 -3.393) 9.685 7.619 ( -3.237 -4.138 1.602) 5.492 7.804 ( 2.101 -1.664 -0.612) 2.750 7.978 ( -3.500 -2.529 3.540) 5.584 8.171 ( -5.511 -1.017 -7.979) 9.750 8.396 ( 0.793 -1.943 -2.092) 2.963 8.548 ( -0.959 -7.777 0.295) 7.842 8.727 ( -5.440 -0.710 -4.260) 6.946 8.825 ( -1.155 0.804 -3.181) 3.478 9.061 ( -4.227 -10.067 4.401) 11.772 9.592 ( -7.114 1.895 -4.525) 8.642 10.392 ( 9.488 7.869 13.095) 17.984 10.894 ( 10.222 -9.407 6.339) 15.270 11.153 ( -1.397 16.075 -11.027) 19.544 ======================= Grid point 120 (46/227) ======================= q-point: (-0.50 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -13.035 23.398 12.181) 29.424 2.889 ( -12.720 4.929 1.361) 13.710 3.293 ( -2.022 8.102 -17.704) 19.575 3.720 ( 16.731 -2.721 3.145) 17.240 4.023 ( 1.553 -2.331 1.943) 3.409 4.340 ( 1.746 -7.966 -0.702) 8.185 4.638 ( -12.833 14.621 0.586) 19.463 4.960 ( -6.160 -2.170 6.241) 9.034 5.179 ( -0.839 -10.600 -15.686) 18.951 5.298 ( 13.839 -0.980 -3.819) 14.389 6.008 ( 3.510 3.474 -10.725) 11.807 6.315 ( -6.754 -3.485 12.208) 14.381 6.638 ( -1.575 -2.369 -2.851) 4.027 7.043 ( 2.018 -1.556 -3.295) 4.165 7.144 ( -2.444 2.422 -4.458) 5.631 7.295 ( -1.782 6.524 0.913) 6.825 7.415 ( 0.591 -1.299 3.708) 3.973 7.592 ( -5.024 -3.701 -0.348) 6.250 7.856 ( 2.910 0.354 -0.313) 2.948 8.045 ( 5.149 -3.705 1.649) 6.554 8.089 ( -0.154 -2.082 -6.724) 7.040 8.404 ( -3.849 -3.271 -1.359) 5.231 8.599 ( 3.054 -1.656 -1.828) 3.926 8.617 ( -6.059 -2.101 -1.818) 6.665 8.813 ( -0.209 -6.861 -4.790) 8.370 9.138 ( -2.827 -11.168 0.994) 11.563 9.518 ( 2.839 -1.952 -2.742) 4.403 10.485 ( 3.486 11.058 13.311) 17.653 10.897 ( -2.548 17.742 -12.447) 21.822 11.174 ( 9.791 -7.021 7.266) 14.070 ======================= Grid point 121 (47/227) ======================= q-point: (-0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -18.504 27.666 2.130) 33.352 2.509 ( -24.411 17.292 5.412) 30.401 3.196 ( 2.200 9.303 -8.348) 12.691 3.889 ( -0.673 3.480 -0.681) 3.609 4.070 ( -14.038 12.533 -0.861) 18.838 4.227 ( 6.606 -2.986 5.948) 9.378 4.533 ( 7.484 -14.581 1.660) 16.474 5.004 ( -0.219 -5.029 0.753) 5.090 5.181 ( -6.924 -14.090 -2.617) 15.916 5.545 ( 17.805 -2.528 -7.354) 19.429 5.976 ( 3.339 1.905 -12.398) 12.980 6.296 ( -5.615 -1.506 8.401) 10.217 6.636 ( -0.176 -2.922 -2.803) 4.053 7.012 ( -4.575 4.405 -3.651) 7.326 7.072 ( 1.112 -2.583 -3.151) 4.223 7.247 ( -1.310 3.821 1.604) 4.346 7.462 ( 0.454 -1.796 3.145) 3.650 7.538 ( -3.854 -0.477 0.963) 4.001 7.871 ( 0.865 -0.121 -5.658) 5.725 8.134 ( 8.336 0.543 0.309) 8.359 8.208 ( 7.803 -5.361 -1.601) 9.601 8.335 ( -7.516 -7.005 0.274) 10.278 8.517 ( -5.422 -0.905 -2.569) 6.068 8.726 ( 8.940 -1.431 0.298) 9.058 8.863 ( 1.220 -8.749 -8.504) 12.262 9.142 ( -4.379 -6.401 -4.326) 8.881 9.708 ( 11.067 -9.972 5.223) 15.786 10.442 ( -3.098 13.463 10.119) 17.124 10.617 ( -3.481 17.347 -11.290) 20.988 11.405 ( 8.225 -4.205 5.191) 10.596 ======================= Grid point 122 (48/227) ======================= q-point: (-0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -15.147 30.306 5.285) 34.290 1.950 ( -24.515 24.500 6.673) 35.295 2.788 ( -27.059 34.913 6.761) 44.686 3.766 ( 2.458 -2.832 -1.506) 4.041 3.977 ( -0.365 -1.135 -1.884) 2.230 4.476 ( 7.146 -7.733 6.045) 12.141 4.786 ( 5.394 -10.540 -0.030) 11.840 5.060 ( 1.237 -10.115 -8.718) 13.410 5.234 ( -0.558 -14.368 6.420) 15.747 5.761 ( 7.158 -5.344 -4.315) 9.920 5.950 ( 5.134 2.467 -10.181) 11.666 6.276 ( -2.413 0.126 6.737) 7.157 6.642 ( -0.194 -1.337 -1.739) 2.202 6.911 ( -1.762 2.230 -2.801) 3.990 7.080 ( -0.959 -2.084 -2.134) 3.134 7.212 ( 0.065 1.903 1.468) 2.404 7.473 ( -1.530 1.617 3.392) 4.058 7.517 ( 1.214 0.507 0.828) 1.554 7.837 ( -1.135 -0.911 -5.780) 5.960 8.257 ( 4.959 3.194 -2.798) 6.529 8.323 ( 4.902 -1.331 -2.594) 5.703 8.361 ( -4.860 -13.833 3.541) 15.083 8.486 ( 5.541 -3.981 -2.692) 7.335 8.821 ( -2.048 -5.272 -0.839) 5.717 8.940 ( 8.154 -1.090 -8.528) 11.850 9.122 ( 2.179 -1.415 -3.491) 4.351 10.001 ( 3.883 -9.923 7.436) 12.994 10.296 ( -0.957 9.254 0.764) 9.335 10.353 ( -5.499 15.648 -4.226) 17.116 11.565 ( 5.794 -1.987 1.946) 6.427 ======================= Grid point 123 (49/227) ======================= q-point: (-0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -9.783 29.859 14.725) 34.700 1.415 ( -18.902 27.681 16.979) 37.574 2.031 ( -26.181 43.568 21.230) 55.085 3.901 ( 4.900 -6.423 -0.632) 8.103 3.965 ( -1.442 -3.567 -1.331) 4.071 4.614 ( 1.697 -4.521 -0.843) 4.902 4.835 ( -5.134 -1.900 -1.183) 5.601 5.162 ( 4.064 -14.359 -5.330) 15.846 5.488 ( 5.205 -17.461 4.146) 18.686 5.819 ( -0.996 -5.355 -1.382) 5.620 6.002 ( 7.125 1.376 -4.465) 8.520 6.318 ( 2.548 -1.465 9.989) 10.412 6.641 ( 0.419 0.161 0.549) 0.709 6.870 ( -0.887 0.053 -2.483) 2.638 7.091 ( 1.935 -1.463 0.962) 2.610 7.211 ( -0.610 0.852 0.538) 1.178 7.459 ( 1.247 4.780 4.301) 6.550 7.563 ( 3.863 -1.165 0.299) 4.045 7.794 ( -0.394 0.727 -5.549) 5.611 8.204 ( -2.325 4.488 -3.418) 6.102 8.322 ( -0.749 -1.244 -6.257) 6.423 8.485 ( 1.456 -9.935 -0.021) 10.042 8.675 ( 10.866 -6.017 -4.061) 13.068 8.833 ( 0.260 -3.112 2.537) 4.024 8.968 ( -0.009 -1.808 -2.576) 3.147 9.224 ( 12.980 4.751 -3.791) 14.332 9.907 ( -15.649 7.173 6.224) 18.305 10.086 ( -5.107 8.650 -15.250) 18.261 10.429 ( 7.422 -3.704 8.323) 11.751 11.641 ( 0.888 -2.288 -1.582) 2.920 ======================= Grid point 124 (50/227) ======================= q-point: (-0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -1.341 24.655 24.961) 35.110 1.054 ( -13.565 19.810 31.335) 39.476 1.649 ( 8.188 38.432 40.030) 56.093 3.902 ( -2.043 0.051 0.677) 2.153 4.066 ( 1.366 -9.278 -1.427) 9.486 4.639 ( 1.705 -0.257 -5.701) 5.956 4.707 ( -7.436 0.800 -4.308) 8.631 5.347 ( 3.121 -11.731 0.232) 12.141 5.644 ( -6.320 -14.494 -0.706) 15.828 5.879 ( 2.790 -5.069 0.497) 5.808 6.034 ( -0.650 -0.932 -4.592) 4.731 6.528 ( 2.901 -13.521 14.204) 19.824 6.670 ( 2.701 0.322 2.494) 3.691 6.852 ( 0.223 -0.924 -2.685) 2.849 7.164 ( 0.697 -1.750 3.013) 3.553 7.206 ( 2.837 0.470 3.819) 4.781 7.463 ( -0.507 5.724 3.235) 6.595 7.592 ( -4.732 -2.617 -1.703) 5.669 7.830 ( 18.256 7.979 -5.836) 20.760 8.108 ( 0.726 3.706 -6.216) 7.273 8.282 ( 5.495 6.077 -4.442) 9.320 8.576 ( -0.643 -9.065 -1.137) 9.158 8.834 ( -0.381 -2.043 -3.258) 3.865 8.869 ( 8.437 -1.808 -1.812) 8.816 9.071 ( 3.254 -8.628 7.199) 11.698 9.357 ( 13.271 7.251 -5.971) 16.259 9.549 ( -21.422 10.521 6.913) 24.847 9.877 ( -3.915 3.275 -16.089) 16.880 10.524 ( 1.845 6.199 4.011) 7.611 11.625 ( -5.932 -6.409 0.608) 8.754 ======================= Grid point 127 (51/227) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 24.017 -0.000 3.814) 24.318 2.875 ( 25.031 -0.000 13.526) 28.452 3.598 ( -11.275 0.000 9.498) 14.742 3.824 ( -3.224 0.000 -6.470) 7.228 3.971 ( 29.109 -0.000 9.169) 30.519 4.081 ( -12.148 0.000 -1.288) 12.216 4.571 ( -9.552 0.000 -3.641) 10.223 4.755 ( 6.314 -0.000 -1.024) 6.397 5.374 ( -3.812 0.000 -15.817) 16.270 5.473 ( -7.023 0.000 -1.069) 7.104 6.218 ( 2.265 -0.000 -4.410) 4.958 6.345 ( -11.532 0.000 13.831) 18.008 6.767 ( -4.843 0.000 -1.979) 5.232 6.941 ( 5.756 -0.000 -4.613) 7.376 7.204 ( 1.790 -0.000 -5.581) 5.861 7.362 ( 0.854 -0.000 0.160) 0.869 7.442 ( 2.759 -0.000 2.283) 3.581 7.597 ( 6.720 -0.000 -0.743) 6.761 8.030 ( -14.124 0.000 -0.287) 14.127 8.074 ( -12.866 0.000 7.841) 15.067 8.171 ( -4.184 0.000 -4.242) 5.958 8.420 ( -1.871 0.000 -4.363) 4.747 8.439 ( -7.649 0.000 -3.564) 8.439 8.764 ( 1.919 -0.000 1.889) 2.692 8.876 ( 2.888 -0.000 -4.187) 5.086 9.041 ( -13.074 0.000 -3.631) 13.569 9.763 ( -5.096 0.000 2.863) 5.845 10.245 ( 15.936 -0.000 11.761) 19.806 10.560 ( 3.941 -0.000 4.396) 5.904 11.476 ( -1.387 0.000 -9.519) 9.619 ======================= Grid point 128 (52/227) ======================= q-point: ( 0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 13.975 1.632 2.730) 14.332 3.259 ( 13.724 -2.659 2.162) 14.145 3.472 ( -5.049 15.124 12.165) 20.055 3.707 ( -6.994 -1.060 -3.887) 8.072 3.921 ( -7.066 -3.117 1.588) 7.885 4.218 ( -4.219 -5.656 3.970) 8.096 4.585 ( 10.490 0.890 -4.300) 11.372 4.953 ( 19.003 -1.859 0.076) 19.094 5.177 ( -6.621 -2.075 -20.818) 21.943 5.361 ( -7.900 3.570 1.787) 8.851 6.181 ( -0.221 3.801 -8.081) 8.933 6.273 ( -8.852 -1.257 16.031) 18.355 6.672 ( -5.177 -0.421 -2.484) 5.758 6.999 ( 4.487 -0.612 -5.423) 7.065 7.194 ( 2.887 3.000 -4.753) 6.319 7.372 ( -0.718 -2.051 -0.355) 2.202 7.471 ( -2.341 -1.605 2.186) 3.583 7.694 ( 2.636 4.137 -0.213) 4.910 7.772 ( -6.992 2.182 -2.245) 7.661 7.966 ( -6.334 0.479 7.671) 9.960 8.115 ( -2.802 -4.528 -9.030) 10.483 8.362 ( -0.712 -2.522 -1.893) 3.233 8.391 ( -2.498 -5.232 -2.220) 6.209 8.759 ( -5.573 4.099 -1.287) 7.037 8.835 ( -1.576 -1.231 -3.731) 4.233 8.904 ( -5.038 -5.793 -1.395) 7.803 9.616 ( -9.321 0.704 -4.379) 10.322 10.532 ( 13.220 6.321 14.473) 20.596 10.747 ( 9.502 -6.163 10.224) 15.258 11.361 ( -2.311 6.015 -10.879) 12.644 ======================= Grid point 129 (53/227) ======================= q-point: (-0.60 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 0.785 3.026 6.220) 6.961 3.141 ( -12.952 18.956 2.404) 23.084 3.386 ( -3.067 2.107 -8.360) 9.150 3.718 ( 11.542 3.367 1.532) 12.121 3.939 ( -1.274 -6.334 7.598) 9.974 4.200 ( -5.050 -7.600 0.408) 9.134 4.716 ( 5.289 -1.745 5.508) 7.833 5.000 ( -5.511 -5.356 -20.058) 21.480 5.123 ( -13.841 11.115 0.309) 17.755 5.286 ( 19.756 -0.425 -5.308) 20.461 6.078 ( -0.057 3.829 -11.011) 11.658 6.257 ( -6.870 -2.532 14.713) 16.434 6.600 ( -2.769 -1.623 -2.845) 4.288 7.031 ( 2.532 -0.375 -4.379) 5.072 7.189 ( 1.482 2.788 -3.535) 4.740 7.380 ( -1.285 -3.316 -1.591) 3.896 7.405 ( -4.751 3.981 1.685) 6.423 7.544 ( -6.381 0.854 3.039) 7.119 7.862 ( 5.366 -1.114 0.676) 5.522 7.926 ( -1.938 -4.531 -0.030) 4.929 8.094 ( 3.748 0.193 -5.965) 7.047 8.351 ( -3.563 -1.920 -3.528) 5.370 8.463 ( 4.086 -10.903 -2.947) 12.011 8.620 ( -6.079 1.014 0.860) 6.222 8.747 ( -4.440 -0.262 -7.414) 8.646 8.945 ( -0.499 -8.961 0.006) 8.975 9.487 ( -2.084 -1.275 -5.771) 6.267 10.692 ( 6.764 11.012 14.096) 19.124 11.027 ( 8.405 -6.649 8.054) 13.406 11.184 ( -2.122 10.006 -7.477) 12.670 ======================= Grid point 130 (54/227) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -12.898 24.505 -3.529) 27.917 2.780 ( -17.879 13.513 13.266) 26.043 3.318 ( 6.151 4.193 -8.554) 11.339 3.854 ( 2.671 -4.748 -0.790) 5.505 4.063 ( 2.995 -5.953 9.142) 11.313 4.271 ( 3.583 -12.586 -1.880) 13.220 4.555 ( -17.442 25.787 -1.292) 31.159 4.917 ( -0.986 -3.786 1.085) 4.059 4.932 ( -5.263 -11.626 -6.135) 14.160 5.536 ( 16.393 0.651 -6.282) 17.567 6.010 ( 3.080 1.559 -13.422) 13.858 6.254 ( -5.946 -2.992 11.278) 13.096 6.585 ( 0.205 -2.422 -2.491) 3.481 7.040 ( -0.110 -0.426 -1.392) 1.460 7.106 ( -3.134 4.622 -5.970) 8.175 7.299 ( -3.419 1.587 -0.415) 3.793 7.426 ( 0.712 -2.286 3.650) 4.366 7.505 ( -3.036 -2.372 3.815) 5.422 7.867 ( -0.228 -0.303 -4.052) 4.069 8.044 ( 6.229 -7.502 -2.662) 10.108 8.131 ( -3.452 -3.920 2.645) 5.855 8.281 ( 2.092 1.080 -4.092) 4.721 8.534 ( -3.813 2.043 -2.358) 4.927 8.659 ( 10.745 -11.026 -9.254) 17.963 8.703 ( 1.190 -2.747 -1.176) 3.216 9.000 ( -2.054 -7.935 -2.455) 8.557 9.539 ( 5.845 -7.788 -0.770) 9.768 10.694 ( -0.828 13.436 8.986) 16.185 10.916 ( -4.471 13.853 -9.254) 17.249 11.319 ( 7.685 -5.176 10.451) 13.967 ======================= Grid point 131 (55/227) ======================= q-point: (-0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -10.887 30.438 0.943) 32.340 2.361 ( -21.649 20.828 11.683) 32.233 3.324 ( 1.982 15.122 -0.369) 15.255 3.842 ( -10.436 11.211 1.200) 15.363 3.961 ( -7.705 3.766 -3.123) 9.127 4.301 ( 3.072 -10.761 5.443) 12.444 4.540 ( 9.920 -13.987 -0.174) 17.149 4.861 ( -4.788 -10.265 -12.371) 16.773 5.031 ( 0.072 -7.450 8.286) 11.143 5.711 ( 8.248 -1.086 -4.276) 9.354 5.994 ( 6.455 2.181 -12.021) 13.818 6.256 ( -3.880 -2.349 9.151) 10.213 6.614 ( 2.191 -1.461 -1.229) 2.906 6.965 ( -4.184 3.299 -1.987) 5.686 7.048 ( -0.364 -1.094 -2.748) 2.980 7.240 ( -2.451 0.529 0.653) 2.591 7.476 ( 1.263 -0.999 2.142) 2.680 7.525 ( 0.804 -0.585 3.810) 3.938 7.828 ( -1.245 0.034 -5.527) 5.666 8.070 ( -10.719 -14.183 0.117) 17.778 8.230 ( 7.943 -6.797 0.547) 10.468 8.353 ( 4.606 3.613 -1.285) 5.994 8.469 ( 4.556 1.836 -5.441) 7.330 8.732 ( 0.786 -4.454 -2.090) 4.982 8.907 ( 12.366 -2.687 -6.493) 14.223 9.020 ( 1.172 -8.055 -3.714) 8.947 9.766 ( 6.528 -13.661 4.875) 15.906 10.522 ( -5.461 13.205 -5.461) 15.297 10.671 ( -5.298 17.799 1.757) 18.654 11.504 ( 3.795 -4.717 5.621) 8.262 ======================= Grid point 132 (56/227) ======================= q-point: (-0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -13.766 28.528 10.674) 33.426 1.916 ( -12.387 29.174 13.402) 34.411 2.904 ( -12.020 47.678 8.995) 49.986 3.744 ( 1.776 -7.949 -1.252) 8.241 3.927 ( -2.104 -2.193 -1.337) 3.320 4.484 ( 2.624 -11.440 1.698) 11.860 4.755 ( -1.434 -5.153 1.246) 5.492 4.858 ( 1.990 -18.930 -12.402) 22.718 5.187 ( 3.064 -12.393 7.250) 14.682 5.774 ( 2.719 -1.002 -3.314) 4.402 6.033 ( 6.412 1.846 -7.789) 10.256 6.286 ( -1.199 -2.177 10.379) 10.672 6.653 ( 2.428 1.099 0.865) 2.802 6.880 ( -2.366 1.136 -2.567) 3.671 7.059 ( 1.371 -1.702 1.958) 2.934 7.218 ( -1.701 -0.791 0.191) 1.885 7.514 ( 2.086 -0.397 0.361) 2.154 7.564 ( 2.592 2.958 3.070) 4.990 7.793 ( 0.825 -0.039 -2.772) 2.893 8.071 ( -8.415 -18.675 -0.481) 20.489 8.294 ( -1.888 2.721 -1.750) 3.746 8.405 ( 6.609 -2.969 -2.831) 7.779 8.607 ( 13.666 -0.449 -4.681) 14.453 8.786 ( 2.240 -2.316 2.962) 4.377 8.932 ( -2.993 -2.348 -2.963) 4.822 9.229 ( 15.695 -3.868 -6.634) 17.473 9.929 ( -6.760 -6.785 6.642) 11.656 10.277 ( -4.942 10.647 -14.536) 18.684 10.482 ( 0.283 12.349 8.276) 14.868 11.576 ( -2.366 -4.845 -0.763) 5.446 ======================= Grid point 133 (57/227) ======================= q-point: (-0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -11.915 23.959 21.902) 34.579 1.576 ( -4.380 33.194 13.812) 36.218 2.474 ( 7.216 48.247 20.788) 53.028 3.867 ( 1.232 -11.288 -1.015) 11.400 3.896 ( -2.395 -1.151 -1.006) 2.842 4.594 ( 0.936 -7.738 -4.354) 8.928 4.691 ( -5.533 -0.134 -1.499) 5.734 5.043 ( 1.975 -19.629 -5.377) 20.447 5.381 ( -0.088 -13.476 4.243) 14.129 5.827 ( 4.954 -1.463 -1.144) 5.291 6.030 ( -1.479 0.237 -5.038) 5.256 6.392 ( 2.261 -4.315 11.638) 12.616 6.689 ( 2.900 1.864 2.999) 4.569 6.838 ( -0.744 -0.483 -2.926) 3.058 7.137 ( 1.395 -1.093 4.248) 4.603 7.198 ( -0.130 -1.805 2.270) 2.903 7.526 ( -1.918 -1.567 -3.367) 4.180 7.578 ( 0.354 4.680 5.045) 6.891 7.861 ( 8.285 -0.658 0.653) 8.336 8.114 ( -1.186 -9.891 -5.074) 11.179 8.277 ( 2.007 -1.682 0.821) 2.744 8.476 ( 4.119 -0.864 -5.614) 7.016 8.804 ( 9.705 -1.490 -6.353) 11.695 8.830 ( -1.050 -1.249 2.887) 3.316 8.936 ( 0.710 -6.164 6.463) 8.959 9.447 ( 14.371 1.114 -6.683) 15.888 9.759 ( -14.870 7.628 6.542) 17.947 9.982 ( -7.352 10.319 -15.946) 20.367 10.558 ( 5.646 0.393 6.143) 8.353 11.511 ( -9.038 -6.174 -4.866) 11.978 ======================= Grid point 134 (58/227) ======================= q-point: (-0.10 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 6.769 18.205 21.268) 28.803 1.450 ( 10.669 19.658 20.957) 30.651 2.489 ( 24.652 37.758 28.132) 53.149 3.866 ( -1.280 -2.312 -2.741) 3.807 3.961 ( -1.705 -8.514 0.396) 8.692 4.543 ( -9.081 -3.641 -3.284) 10.321 4.665 ( 4.041 1.020 -6.667) 7.862 5.165 ( -7.975 -18.842 -2.529) 20.616 5.453 ( -2.955 -5.140 2.314) 6.364 5.909 ( -1.346 -3.314 -7.254) 8.088 5.973 ( 2.367 -0.689 0.422) 2.501 6.509 ( -1.584 -4.954 9.722) 11.026 6.750 ( 3.912 1.004 3.227) 5.170 6.833 ( 0.772 -1.751 -2.808) 3.398 7.152 ( -0.744 -4.287 2.077) 4.821 7.286 ( 2.057 -0.277 7.129) 7.425 7.446 ( -5.252 0.229 -3.984) 6.596 7.530 ( -1.968 7.681 3.007) 8.480 8.019 ( 5.864 -4.138 2.842) 7.719 8.186 ( 8.478 -0.036 -4.515) 9.605 8.369 ( 3.338 -4.418 0.406) 5.553 8.519 ( 2.377 -3.802 -3.568) 5.730 8.731 ( -8.314 -0.812 1.895) 8.566 8.966 ( 1.512 -5.698 -2.061) 6.245 9.042 ( 1.272 -2.585 2.811) 4.025 9.455 ( -9.652 12.808 8.489) 18.146 9.607 ( 13.432 8.119 -7.188) 17.263 9.730 ( -6.095 2.904 -14.309) 15.822 10.630 ( 3.033 3.247 1.353) 4.645 11.429 ( -7.093 -11.617 -1.658) 13.712 ======================= Grid point 138 (59/227) ======================= q-point: ( 0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 3.265 -0.000 2.210) 3.942 3.299 ( -0.853 0.000 3.265) 3.375 3.447 ( -12.747 0.000 -10.017) 16.212 3.774 ( 3.247 -0.000 -1.099) 3.428 3.862 ( 5.403 -0.000 17.807) 18.609 4.097 ( -8.568 0.000 3.365) 9.205 4.703 ( 5.378 -0.000 1.724) 5.648 4.933 ( -6.821 0.000 -20.331) 21.445 5.251 ( -10.020 0.000 1.090) 10.079 5.281 ( 22.511 -0.000 -6.233) 23.358 6.120 ( -2.911 0.000 -10.462) 10.859 6.233 ( -6.980 0.000 14.881) 16.437 6.584 ( -3.125 0.000 -3.001) 4.333 7.025 ( 2.518 -0.000 -4.498) 5.154 7.236 ( 3.099 -0.000 -4.309) 5.308 7.318 ( -3.000 0.000 -2.308) 3.785 7.439 ( -3.475 0.000 5.399) 6.420 7.580 ( -11.188 0.000 -0.715) 11.211 7.821 ( 8.184 -0.000 -4.453) 9.317 7.910 ( -6.790 0.000 8.097) 10.567 8.102 ( 8.777 -0.000 -10.346) 13.567 8.327 ( 1.907 -0.000 -0.917) 2.116 8.335 ( -2.317 0.000 -4.291) 4.877 8.635 ( -7.538 0.000 1.093) 7.617 8.758 ( -5.758 0.000 -7.121) 9.157 8.847 ( 2.374 -0.000 -1.060) 2.600 9.475 ( -3.731 0.000 -6.780) 7.739 10.862 ( 11.631 -0.000 15.189) 19.130 10.895 ( 5.355 -0.000 11.076) 12.303 11.282 ( -3.358 0.000 -9.443) 10.022 ======================= Grid point 139 (60/227) ======================= q-point: (-0.60 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -7.739 4.993 8.307) 12.403 3.115 ( -11.770 14.549 -5.554) 19.520 3.343 ( 2.881 -1.536 -1.217) 3.484 3.776 ( -0.274 -2.658 0.737) 2.772 3.977 ( -5.602 -2.541 4.721) 7.754 4.089 ( 3.674 -6.347 0.773) 7.375 4.778 ( -2.805 -3.685 -12.502) 13.332 4.799 ( 3.190 -0.980 5.625) 6.540 5.021 ( -12.957 12.436 0.954) 17.985 5.548 ( 15.357 0.380 -6.216) 16.572 6.018 ( 0.338 -0.724 -13.938) 13.961 6.204 ( -7.054 -1.573 12.513) 14.450 6.553 ( 0.813 -0.946 -2.662) 2.940 7.030 ( 0.445 -0.688 -3.052) 3.160 7.188 ( -4.008 4.618 -3.130) 6.869 7.277 ( -3.894 -4.351 -3.023) 6.575 7.413 ( -1.722 1.968 4.349) 5.075 7.465 ( -4.558 -2.416 4.122) 6.604 7.871 ( -0.292 1.213 0.402) 1.311 7.933 ( 5.762 -4.609 -2.413) 7.763 8.087 ( -8.480 -0.454 -6.162) 10.492 8.324 ( 9.149 3.196 -4.379) 10.634 8.451 ( 9.818 -9.132 -4.695) 14.207 8.572 ( -2.291 1.264 -1.307) 2.925 8.679 ( 1.480 -0.440 -2.078) 2.589 8.887 ( 1.174 -3.682 -2.749) 4.742 9.441 ( 2.167 -2.735 -4.128) 5.405 10.905 ( -1.776 8.358 3.037) 9.068 11.080 ( 1.476 3.128 2.474) 4.253 11.231 ( 2.587 -3.155 7.323) 8.383 ======================= Grid point 140 (61/227) ======================= q-point: (-0.50 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -20.014 14.448 16.124) 29.484 2.767 ( -4.892 23.471 -4.002) 24.307 3.411 ( 6.150 0.774 -3.849) 7.296 3.823 ( 0.631 -5.417 1.007) 5.545 3.991 ( -4.753 -11.829 4.284) 13.449 4.163 ( -1.489 -9.284 -9.443) 13.326 4.607 ( -10.830 22.802 2.037) 25.325 4.748 ( 0.757 -0.288 -2.335) 2.471 4.924 ( 1.764 -4.298 4.260) 6.304 5.691 ( 6.310 -1.853 -5.322) 8.460 6.013 ( 7.030 -0.896 -13.863) 15.569 6.195 ( -5.276 -3.352 12.358) 13.849 6.593 ( 4.352 -0.808 -1.339) 4.624 7.013 ( -2.840 0.674 0.346) 2.940 7.050 ( -3.790 2.376 -4.880) 6.620 7.224 ( -5.058 -2.487 0.546) 5.662 7.435 ( 0.658 -3.694 2.877) 4.728 7.478 ( -0.857 -3.079 4.672) 5.661 7.852 ( 0.421 3.027 -2.412) 3.893 7.897 ( -10.936 -4.358 -5.601) 13.037 8.086 ( 6.407 -8.259 0.324) 10.458 8.424 ( 5.238 4.195 -1.003) 6.785 8.523 ( 5.267 3.203 -4.461) 7.609 8.653 ( 6.886 -4.362 -4.036) 9.096 8.818 ( 13.864 -6.366 -2.714) 15.495 8.906 ( -0.623 -3.538 -4.126) 5.471 9.552 ( 5.366 -8.652 2.061) 10.388 10.728 ( -7.153 8.442 -8.302) 13.833 10.975 ( -3.568 15.056 4.512) 16.118 11.391 ( 1.476 -7.751 7.214) 10.691 ======================= Grid point 141 (62/227) ======================= q-point: (-0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -19.417 21.480 15.082) 32.648 2.474 ( -2.310 29.809 5.389) 30.380 3.469 ( 4.584 4.002 -3.305) 6.925 3.816 ( -10.563 8.276 -6.269) 14.811 3.889 ( -0.541 10.489 4.438) 11.402 4.195 ( -1.637 -17.844 2.553) 18.100 4.503 ( 2.577 -12.519 -5.802) 14.037 4.751 ( 0.577 2.986 2.447) 3.904 5.025 ( 2.217 -6.712 3.460) 7.869 5.748 ( 3.168 -2.621 -5.619) 6.963 6.055 ( 4.586 -0.034 -9.164) 10.248 6.239 ( -1.302 -2.604 11.950) 12.299 6.674 ( 5.282 0.950 0.942) 5.448 6.911 ( -4.261 2.183 -1.994) 5.186 7.033 ( 1.514 -1.053 1.463) 2.354 7.177 ( -5.114 -3.427 0.990) 6.235 7.488 ( 0.743 -2.021 -0.211) 2.164 7.570 ( 4.419 -6.916 3.662) 8.988 7.762 ( -9.558 -6.003 -1.148) 11.345 7.834 ( 1.413 1.330 -0.536) 2.013 8.255 ( 3.923 -7.135 -1.394) 8.261 8.402 ( 2.143 3.579 -1.465) 4.421 8.637 ( 12.385 2.668 -3.721) 13.205 8.748 ( 3.329 -1.593 2.841) 4.658 8.884 ( -2.801 -2.673 -4.201) 5.713 9.117 ( 17.219 -7.611 -6.829) 20.027 9.733 ( -0.202 -11.464 7.255) 13.569 10.478 ( -5.469 10.216 -12.408) 16.978 10.771 ( -5.031 16.767 3.718) 17.896 11.462 ( -4.266 -7.673 -0.251) 8.783 ======================= Grid point 142 (63/227) ======================= q-point: (-0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -13.132 23.274 16.031) 31.163 2.194 ( -1.630 33.561 7.895) 34.516 3.307 ( 4.567 37.367 5.178) 37.999 3.697 ( 1.107 -4.792 2.073) 5.337 3.860 ( -1.690 -1.582 -3.655) 4.327 4.343 ( -3.114 -17.939 -0.768) 18.223 4.670 ( 2.042 -19.217 -6.507) 20.392 4.734 ( -0.035 4.355 2.375) 4.960 5.169 ( 3.034 -10.013 5.491) 11.816 5.796 ( 4.005 -2.566 -5.477) 7.254 6.035 ( -2.326 0.038 -4.121) 4.732 6.332 ( 2.018 -2.380 10.235) 10.700 6.735 ( 2.933 2.841 3.566) 5.421 6.840 ( -1.319 0.808 -2.499) 2.939 7.116 ( -0.246 -1.692 3.661) 4.040 7.141 ( 0.742 -3.730 1.637) 4.140 7.493 ( -1.612 -1.739 -2.084) 3.157 7.662 ( -4.544 0.888 1.860) 4.990 7.789 ( 7.890 -12.922 1.210) 15.189 7.884 ( 3.435 -1.474 3.222) 4.934 8.295 ( 1.340 0.258 -2.048) 2.461 8.450 ( 3.198 -1.515 -1.198) 3.736 8.798 ( 7.950 -1.247 -1.561) 8.197 8.820 ( 0.587 0.788 -3.157) 3.307 8.837 ( 0.201 -3.464 5.196) 6.248 9.394 ( 13.488 -5.989 -6.056) 15.952 9.769 ( -10.595 -6.162 8.283) 14.793 10.212 ( -6.166 13.416 -14.578) 20.749 10.645 ( 3.757 9.489 2.966) 10.628 11.390 ( -10.122 -7.247 -7.796) 14.689 ======================= Grid point 143 (64/227) ======================= q-point: (-0.20 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 1.216 19.992 14.584) 24.776 1.932 ( 3.105 30.620 8.372) 31.896 3.203 ( 18.864 37.653 15.123) 44.747 3.795 ( 1.791 -7.217 -2.742) 7.925 3.831 ( -1.727 -2.807 0.506) 3.334 4.388 ( -7.583 -12.917 -3.698) 15.428 4.702 ( -1.135 1.552 0.168) 1.930 4.811 ( -2.004 -16.827 -4.927) 17.648 5.336 ( 2.508 -7.718 5.868) 10.014 5.840 ( 0.513 -4.242 -9.543) 10.455 5.970 ( -1.935 0.243 1.199) 2.289 6.442 ( 0.884 -2.953 9.459) 9.949 6.770 ( 1.235 0.750 4.787) 5.000 6.821 ( 1.727 1.111 -3.083) 3.704 7.083 ( -2.605 -3.142 -1.355) 4.301 7.272 ( 3.909 -0.899 7.301) 8.330 7.448 ( -3.215 -0.481 -2.164) 3.905 7.609 ( -2.749 0.020 2.735) 3.878 7.975 ( 4.383 -0.740 2.844) 5.277 8.061 ( 9.411 -10.958 1.226) 14.497 8.319 ( 2.896 0.085 -0.755) 2.994 8.475 ( -1.622 -2.246 -0.337) 2.790 8.722 ( -7.431 -0.636 0.966) 7.520 8.885 ( -1.576 -2.736 2.348) 3.935 8.989 ( 9.712 -2.706 -0.503) 10.095 9.519 ( -4.619 -3.073 2.777) 6.204 9.715 ( 0.206 0.392 1.480) 1.545 9.908 ( -2.391 14.326 -15.240) 21.053 10.689 ( 5.682 4.765 1.134) 7.502 11.233 ( -10.538 -9.455 -10.012) 17.341 ======================= Grid point 144 (65/227) ======================= q-point: (-0.10 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 16.793 11.654 10.376) 22.923 1.929 ( 17.461 15.481 12.489) 26.468 3.348 ( 26.633 30.259 15.057) 43.030 3.790 ( -2.051 -2.774 -4.068) 5.334 3.909 ( 1.544 -5.005 2.536) 5.819 4.305 ( -11.894 -7.468 -2.510) 14.267 4.679 ( -0.786 -1.527 -2.295) 2.866 4.838 ( -8.740 -12.296 -3.287) 15.440 5.429 ( 0.483 -1.619 3.312) 3.717 5.752 ( -6.427 -2.570 -9.735) 11.945 6.016 ( 3.074 -4.099 -1.133) 5.247 6.496 ( -3.312 -1.144 9.162) 9.809 6.808 ( -0.454 -2.377 1.348) 2.770 6.847 ( 5.227 1.893 -1.086) 5.665 7.106 ( 0.800 -4.846 0.291) 4.920 7.292 ( -2.813 0.888 0.737) 3.041 7.427 ( 0.484 -0.433 1.275) 1.431 7.598 ( 1.080 5.059 4.025) 6.554 8.032 ( -0.644 -1.792 0.387) 1.943 8.269 ( 4.681 -4.815 0.887) 6.774 8.370 ( 1.516 -5.093 0.048) 5.315 8.458 ( -3.744 -4.311 2.957) 6.430 8.600 ( -9.138 0.619 3.712) 9.882 8.837 ( -7.024 -1.624 -2.212) 7.541 9.106 ( 4.157 2.707 -4.565) 6.742 9.421 ( -10.464 -0.577 6.424) 12.292 9.643 ( 0.634 4.993 -5.179) 7.222 9.856 ( 10.352 7.370 -3.878) 13.286 10.709 ( 3.083 5.950 -1.681) 6.909 11.184 ( -4.247 -16.324 -7.037) 18.276 ======================= Grid point 149 (66/227) ======================= q-point: (-0.60 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -18.312 0.000 18.350) 25.924 3.024 ( -1.658 0.000 -8.921) 9.073 3.416 ( 6.210 -0.000 1.135) 6.313 3.765 ( -1.477 0.000 -0.065) 1.478 3.835 ( -7.501 0.000 0.826) 7.547 4.054 ( -0.210 0.000 -10.003) 10.005 4.699 ( -4.327 0.000 -0.853) 4.410 4.871 ( 3.215 -0.000 2.408) 4.016 4.961 ( -3.818 0.000 5.173) 6.429 5.651 ( 2.354 -0.000 -7.100) 7.480 5.984 ( 5.795 -0.000 -10.800) 12.257 6.167 ( -3.846 0.000 10.214) 10.914 6.585 ( 5.038 -0.000 -1.396) 5.228 7.009 ( -0.788 0.000 -0.924) 1.214 7.104 ( -6.414 0.000 -4.273) 7.706 7.169 ( -5.931 0.000 2.012) 6.263 7.390 ( -3.670 0.000 3.781) 5.269 7.451 ( 0.146 -0.000 3.379) 3.382 7.865 ( -10.348 0.000 -7.269) 12.646 7.937 ( 2.040 -0.000 -2.823) 3.483 7.953 ( 6.407 -0.000 1.124) 6.505 8.486 ( 1.253 -0.000 0.220) 1.273 8.554 ( 12.135 -0.000 -1.995) 12.298 8.590 ( 10.343 -0.000 -8.214) 13.208 8.753 ( 8.405 -0.000 0.200) 8.408 8.872 ( 1.433 -0.000 -4.801) 5.011 9.471 ( 4.760 -0.000 0.773) 4.822 10.808 ( -7.951 0.000 -9.855) 12.662 11.205 ( 0.743 -0.000 6.779) 6.820 11.228 ( -2.771 0.000 6.900) 7.435 ======================= Grid point 151 (67/227) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -20.046 9.200 18.761) 28.956 2.936 ( 2.049 17.560 3.040) 17.938 3.489 ( 4.576 2.573 -5.287) 7.450 3.705 ( -4.781 -7.123 -11.978) 14.733 3.830 ( -1.485 -14.526 1.980) 14.735 4.070 ( 2.444 -3.116 0.910) 4.063 4.557 ( -6.899 7.724 -1.885) 10.526 4.920 ( 2.622 11.738 7.192) 14.013 4.932 ( 1.042 -0.780 0.858) 1.559 5.650 ( 1.043 -7.406 -9.441) 12.045 6.027 ( 1.792 -1.874 -2.398) 3.532 6.210 ( 1.897 -0.482 8.495) 8.718 6.684 ( 7.043 0.180 0.854) 7.097 6.955 ( -5.635 2.161 -1.387) 6.193 7.025 ( 1.299 0.438 0.598) 1.496 7.104 ( -6.647 -4.048 1.961) 8.026 7.382 ( -2.799 -6.476 2.289) 7.417 7.466 ( -0.693 -1.276 0.860) 1.688 7.736 ( -2.122 0.146 -1.698) 2.722 7.919 ( 2.217 5.720 -0.169) 6.137 8.113 ( 6.180 -7.043 0.316) 9.376 8.468 ( 0.678 2.578 -1.446) 3.033 8.686 ( 7.559 2.533 -0.336) 7.979 8.727 ( 5.210 -1.281 1.438) 5.554 8.862 ( 3.428 1.586 -6.045) 7.128 8.968 ( 14.227 -7.896 -6.585) 17.553 9.580 ( 2.125 -4.378 6.484) 8.107 10.614 ( -5.601 3.988 -11.526) 13.421 11.060 ( -5.882 14.400 1.464) 15.624 11.292 ( -5.457 -10.964 0.324) 12.252 ======================= Grid point 152 (68/227) ======================= q-point: (-0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -14.885 16.244 15.124) 26.724 2.777 ( 0.997 29.256 5.718) 29.827 3.492 ( 2.245 -4.233 -11.118) 12.106 3.673 ( -0.525 -5.514 -1.835) 5.835 3.977 ( -5.396 -17.369 1.200) 18.228 4.100 ( 6.047 12.565 3.016) 14.267 4.438 ( 0.857 -0.132 -3.487) 3.593 4.875 ( 1.572 11.550 8.203) 14.253 5.001 ( 1.530 -8.209 0.827) 8.391 5.703 ( 2.495 -8.253 -9.791) 13.046 6.030 ( -2.120 -0.324 0.389) 2.179 6.304 ( 2.602 -0.700 8.892) 9.291 6.779 ( 2.471 1.618 4.009) 4.979 6.865 ( -0.955 1.785 -1.789) 2.702 7.050 ( -4.522 -4.290 -0.241) 6.238 7.104 ( 5.662 -1.062 4.966) 7.606 7.434 ( -3.993 -13.304 -0.460) 13.898 7.460 ( -2.016 -2.283 -1.176) 3.264 7.775 ( 7.302 2.622 5.021) 9.242 7.925 ( 3.908 4.122 2.551) 6.226 8.241 ( 2.508 -5.245 -0.601) 5.845 8.463 ( 1.970 2.484 -0.072) 3.171 8.739 ( -1.818 -2.836 -1.088) 3.540 8.798 ( 0.997 -1.543 5.816) 6.099 8.891 ( 8.938 5.684 -4.779) 11.620 9.241 ( 12.519 -10.552 -5.705) 17.338 9.629 ( -8.671 -6.413 9.543) 14.401 10.433 ( -2.121 9.619 -13.599) 16.791 10.850 ( -2.001 11.632 -2.232) 12.012 11.242 ( -9.604 -9.000 -7.909) 15.355 ======================= Grid point 153 (69/227) ======================= q-point: (-0.30 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -2.618 17.869 9.507) 20.409 2.509 ( -0.326 31.212 1.111) 31.234 3.552 ( 6.245 -5.452 -7.154) 10.950 3.745 ( 1.850 -1.191 9.171) 9.431 3.917 ( -0.221 10.148 -0.241) 10.153 4.164 ( 3.582 -1.836 -3.346) 5.235 4.471 ( -4.819 -13.590 -2.533) 14.640 4.847 ( 1.970 9.397 5.195) 10.916 5.164 ( 4.869 -10.965 6.330) 13.565 5.743 ( 0.686 -6.787 -12.016) 13.817 5.982 ( -3.503 1.107 2.125) 4.244 6.400 ( 1.837 -1.364 9.156) 9.437 6.769 ( -3.297 -0.754 3.302) 4.726 6.872 ( 3.601 3.781 0.121) 5.223 7.041 ( 0.205 -1.535 -1.924) 2.470 7.253 ( 6.010 -1.391 6.875) 9.237 7.425 ( -3.617 -1.993 -1.999) 4.588 7.487 ( -2.694 -11.626 0.058) 11.934 7.942 ( 8.539 -0.265 6.113) 10.504 7.999 ( 7.024 1.786 3.459) 8.031 8.297 ( 0.901 -2.970 -0.765) 3.197 8.454 ( -2.792 0.635 1.839) 3.403 8.691 ( -5.961 -2.856 -0.277) 6.616 8.847 ( -1.709 -1.577 6.026) 6.459 8.981 ( 9.304 2.185 -2.492) 9.877 9.436 ( 1.447 -5.942 -1.532) 6.305 9.591 ( -8.371 -10.875 10.589) 17.334 10.184 ( -2.568 14.831 -16.617) 22.420 10.802 ( 6.150 5.525 -4.728) 9.524 11.086 ( -10.111 -6.112 -12.543) 17.231 ======================= Grid point 154 (70/227) ======================= q-point: (-0.20 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 11.786 14.439 3.970) 19.057 2.303 ( 8.039 23.821 2.501) 25.265 3.681 ( 6.202 -6.277 -6.056) 10.703 3.827 ( 0.546 0.526 10.443) 10.471 3.856 ( 5.731 11.093 -1.070) 12.531 4.168 ( -0.445 -0.676 -5.719) 5.776 4.489 ( -8.654 -15.471 -0.265) 17.728 4.825 ( 1.907 7.750 4.429) 9.128 5.369 ( 4.679 -5.721 6.631) 9.929 5.697 ( -3.916 -3.756 -11.726) 12.920 5.948 ( -2.037 -2.589 -0.419) 3.320 6.479 ( -0.584 -0.778 9.903) 9.951 6.759 ( -2.269 -3.120 2.492) 4.593 6.903 ( 5.340 4.315 -0.414) 6.878 7.052 ( 2.157 -0.685 -2.600) 3.447 7.332 ( -1.137 2.912 2.249) 3.851 7.387 ( -1.529 -3.799 0.733) 4.160 7.587 ( 2.807 -6.219 4.292) 8.061 8.036 ( 1.862 1.438 1.110) 2.602 8.155 ( 6.344 -3.702 3.924) 8.328 8.294 ( -5.934 -4.222 -0.014) 7.283 8.419 ( -1.084 -0.839 2.489) 2.841 8.602 ( -7.991 -0.665 2.887) 8.522 8.827 ( -4.143 0.254 1.014) 4.273 9.098 ( 5.632 -1.966 -2.238) 6.372 9.402 ( -7.600 -1.078 6.522) 10.072 9.645 ( -5.802 -7.561 3.943) 10.314 10.002 ( 6.226 9.746 -11.224) 16.116 10.817 ( 4.447 -0.389 -12.640) 13.405 10.955 ( -3.443 -2.503 -6.495) 7.766 ======================= Grid point 155 (71/227) ======================= q-point: (-0.10 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 15.492 7.160 5.575) 17.955 2.419 ( 23.254 10.493 4.004) 25.824 3.709 ( -3.142 -1.254 -7.571) 8.293 3.848 ( -5.084 -1.456 4.313) 6.824 3.899 ( 3.263 -4.362 -1.657) 5.694 4.159 ( 10.318 8.525 -4.208) 14.030 4.485 ( -7.840 -12.860 -0.386) 15.066 4.823 ( 3.675 8.823 7.515) 12.159 5.448 ( -0.969 1.068 2.757) 3.111 5.579 ( -5.677 -0.918 -9.271) 10.910 5.961 ( -0.785 -8.140 -4.538) 9.353 6.488 ( -4.825 1.939 10.074) 11.337 6.768 ( -1.913 -3.144 0.808) 3.767 6.952 ( 5.566 3.217 -1.815) 6.680 7.111 ( 3.743 -2.318 -0.715) 4.460 7.275 ( -1.016 2.218 0.233) 2.451 7.405 ( -1.021 -3.008 0.375) 3.199 7.687 ( 2.291 0.992 4.820) 5.428 7.979 ( -6.569 1.505 -0.607) 6.767 8.212 ( -7.700 -1.779 3.593) 8.681 8.280 ( -2.358 -8.290 0.963) 8.672 8.446 ( 0.842 -0.833 0.461) 1.270 8.553 ( 2.475 -1.148 1.558) 3.142 8.724 ( -6.046 2.490 -1.993) 6.835 9.100 ( -3.696 -0.401 -8.065) 8.881 9.321 ( -6.624 4.725 9.340) 12.387 9.640 ( -1.951 -5.776 2.763) 6.694 10.026 ( 6.667 4.146 -0.730) 7.885 10.841 ( 7.590 5.020 -9.444) 13.115 10.939 ( -1.503 -12.226 -6.446) 13.903 ======================= Grid point 161 (72/227) ======================= q-point: ( 0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -16.148 0.000 16.840) 23.331 3.148 ( 6.719 0.000 11.256) 13.109 3.396 ( -5.114 -0.000 -24.165) 24.700 3.610 ( -1.032 -0.000 0.421) 1.115 3.748 ( 1.669 -0.000 1.685) 2.371 4.137 ( 4.528 0.000 2.638) 5.241 4.548 ( 1.303 0.000 0.081) 1.306 4.907 ( -0.496 0.000 -4.827) 4.853 5.061 ( 0.073 0.000 9.990) 9.990 5.567 ( 2.359 -0.000 -11.110) 11.357 6.028 ( -1.231 0.000 3.092) 3.328 6.300 ( 3.068 0.000 8.371) 8.916 6.792 ( 1.253 0.000 3.903) 4.099 6.891 ( 0.727 -0.000 -2.252) 2.366 6.997 ( -4.197 0.000 1.240) 4.376 7.092 ( 4.524 0.000 4.027) 6.057 7.303 ( -2.721 0.000 0.027) 2.721 7.439 ( -1.881 0.000 -0.900) 2.085 7.799 ( 7.316 0.000 5.234) 8.996 7.984 ( 2.374 0.000 0.762) 2.493 8.170 ( 3.930 0.000 1.964) 4.393 8.496 ( 1.676 0.000 -0.254) 1.695 8.712 ( -3.281 -0.000 -3.290) 4.646 8.781 ( 1.490 0.000 6.819) 6.980 9.011 ( 9.060 0.000 0.689) 9.086 9.064 ( 11.539 -0.000 -9.617) 15.021 9.571 ( -7.310 0.000 8.886) 11.507 10.527 ( 0.431 0.000 -12.539) 12.547 11.031 ( -9.554 -0.000 -10.060) 13.874 11.085 ( -4.945 0.000 -2.386) 5.490 ======================= Grid point 163 (73/227) ======================= q-point: (-0.40 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -5.423 8.268 9.237) 13.531 3.030 ( -2.492 23.752 -9.231) 25.604 3.396 ( 5.125 -8.942 -4.750) 11.349 3.638 ( -2.413 -10.763 4.572) 11.940 3.825 ( 1.293 -3.591 2.807) 4.738 4.209 ( 0.551 -4.630 -0.651) 4.708 4.536 ( 5.537 15.414 -3.369) 16.721 4.917 ( -0.264 -9.786 -2.409) 10.082 5.088 ( 4.276 9.340 12.232) 15.973 5.593 ( 2.033 -8.124 -11.304) 14.068 6.004 ( -3.538 0.884 2.625) 4.493 6.394 ( 2.382 0.359 10.137) 10.420 6.749 ( -5.347 -1.036 2.107) 5.840 6.945 ( 4.277 4.073 1.250) 6.037 7.008 ( 3.177 -2.542 0.476) 4.097 7.200 ( 3.479 -4.237 3.350) 6.425 7.321 ( 2.758 -3.140 1.682) 4.505 7.398 ( -2.904 -1.160 -1.473) 3.457 7.972 ( 8.443 1.908 7.404) 11.390 8.030 ( 4.461 0.923 2.027) 4.986 8.239 ( 1.459 -2.308 2.727) 3.859 8.494 ( -2.232 3.016 1.865) 4.190 8.628 ( -5.929 -3.474 -2.847) 7.438 8.828 ( -0.930 -0.521 7.250) 7.328 9.066 ( 5.567 7.050 -0.082) 8.984 9.257 ( 6.247 -11.945 -3.468) 13.919 9.464 ( -13.055 -2.456 12.020) 17.915 10.413 ( -1.285 8.599 -17.225) 19.296 10.812 ( -6.849 -3.305 -16.082) 17.790 11.045 ( 1.635 0.751 -4.992) 5.306 ======================= Grid point 164 (74/227) ======================= q-point: (-0.30 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 8.864 11.809 1.270) 14.820 2.740 ( 1.007 21.815 -8.729) 23.518 3.526 ( 5.871 -7.565 -7.022) 11.874 3.736 ( -3.931 -12.125 5.106) 13.731 3.851 ( -2.569 -0.274 2.422) 3.542 4.219 ( -8.033 -12.492 -1.452) 14.923 4.452 ( 10.410 20.683 -6.126) 23.951 4.975 ( 1.755 2.952 5.971) 6.888 5.244 ( 9.393 -3.592 9.465) 13.810 5.607 ( -0.738 -6.056 -11.426) 12.953 5.930 ( -6.224 0.199 0.461) 6.244 6.480 ( 1.449 1.100 11.279) 11.425 6.702 ( -3.730 -2.632 1.855) 4.927 6.990 ( 6.092 4.564 0.595) 7.635 7.061 ( 2.050 0.479 -1.735) 2.728 7.298 ( -0.131 -5.346 -0.536) 5.374 7.369 ( 0.952 -0.336 1.694) 1.973 7.451 ( 5.329 -4.604 5.152) 8.726 8.062 ( 3.161 1.469 3.574) 4.992 8.141 ( 4.248 -0.896 3.275) 5.438 8.251 ( -5.716 1.549 3.210) 6.736 8.410 ( -2.701 0.095 -0.072) 2.704 8.563 ( -6.937 -3.970 1.513) 8.134 8.837 ( -2.494 0.577 4.911) 5.538 9.081 ( 0.685 0.986 0.241) 1.224 9.388 ( -1.285 -0.717 4.427) 4.665 9.412 ( -7.071 -14.624 10.384) 19.279 10.198 ( 0.875 10.586 -17.432) 20.414 10.670 ( -5.778 -9.301 -20.767) 23.477 11.069 ( 8.116 7.122 -4.061) 11.536 ======================= Grid point 165 (75/227) ======================= q-point: (-0.20 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 12.688 11.917 -1.932) 17.514 2.651 ( 14.824 13.425 -3.286) 20.268 3.616 ( -1.137 -8.089 -8.389) 11.709 3.759 ( -5.100 -9.807 -5.988) 12.572 3.781 ( -6.974 -1.411 4.015) 8.171 4.219 ( -6.085 -15.250 -0.201) 16.420 4.439 ( 13.973 18.091 -5.111) 23.424 5.010 ( 4.134 8.898 9.749) 13.831 5.445 ( 4.076 -1.745 3.805) 5.843 5.563 ( -1.686 -1.402 -7.074) 7.406 5.824 ( -7.295 -5.806 -3.624) 10.003 6.529 ( -1.843 2.664 11.668) 12.109 6.700 ( -1.564 -3.764 1.017) 4.201 7.042 ( 4.625 5.716 -0.442) 7.366 7.084 ( 4.753 0.025 -2.122) 5.205 7.291 ( -1.622 -2.348 -1.647) 3.295 7.411 ( 1.751 4.154 2.620) 5.214 7.615 ( 3.668 -6.889 5.246) 9.404 8.016 ( -10.747 2.296 2.639) 11.302 8.169 ( -1.590 -3.588 0.977) 4.044 8.187 ( -1.744 -0.404 2.201) 2.837 8.422 ( 0.895 -1.798 0.048) 2.009 8.522 ( -0.843 -2.629 0.610) 2.828 8.783 ( -4.619 3.261 2.240) 6.082 9.053 ( -4.710 -3.342 -3.636) 6.824 9.402 ( -2.550 3.396 13.332) 13.992 9.476 ( -4.459 -11.578 1.785) 12.535 10.109 ( 5.179 4.806 -7.219) 10.101 10.596 ( -1.599 -13.616 -18.451) 22.987 11.096 ( 8.473 11.065 -4.934) 14.784 ======================= Grid point 166 (76/227) ======================= q-point: (-0.10 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 7.828 3.424 4.776) 9.789 2.876 ( 21.930 6.032 -1.780) 22.814 3.503 ( -11.749 -4.933 -4.511) 13.518 3.617 ( -13.138 -7.265 -8.188) 17.100 3.857 ( 5.812 -7.427 -5.575) 10.955 4.291 ( -1.078 -11.386 -0.823) 11.466 4.501 ( 14.831 13.557 -2.524) 20.251 5.048 ( 4.348 7.694 6.284) 10.845 5.372 ( -11.924 1.128 1.195) 12.037 5.500 ( -1.407 3.695 -6.615) 7.706 5.844 ( 2.391 -9.218 -3.861) 10.276 6.495 ( -5.957 4.742 11.124) 13.480 6.714 ( -1.115 -2.426 -0.406) 2.701 7.049 ( 3.579 4.451 -2.035) 6.064 7.155 ( 3.044 -0.766 0.006) 3.139 7.301 ( 2.081 0.931 0.547) 2.344 7.368 ( -2.557 1.749 -1.708) 3.538 7.706 ( -1.651 -4.040 2.519) 5.039 7.868 ( -5.725 0.732 1.531) 5.971 8.113 ( -8.340 -0.134 5.484) 9.982 8.203 ( 1.415 -1.997 -4.225) 4.883 8.439 ( -0.106 -0.334 -1.062) 1.119 8.597 ( 2.282 -5.751 -1.646) 6.402 8.699 ( 1.728 4.806 0.119) 5.109 8.964 ( -5.535 -0.758 -5.159) 7.604 9.347 ( -8.084 7.038 16.361) 19.559 9.532 ( -0.313 -8.894 -4.560) 9.999 10.148 ( 4.024 1.673 4.142) 6.012 10.669 ( 1.734 -19.852 -13.998) 24.353 11.085 ( 8.056 13.191 -4.427) 16.078 ======================= Grid point 173 (77/227) ======================= q-point: ( 0.60 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 7.722 -0.000 1.690) 7.905 2.977 ( -2.380 0.000 -21.926) 22.055 3.501 ( 6.948 -0.000 6.615) 9.594 3.531 ( -1.792 0.000 -1.732) 2.492 3.855 ( -2.241 0.000 4.289) 4.839 4.091 ( -9.645 0.000 -2.225) 9.899 4.783 ( 12.231 -0.000 -0.970) 12.269 4.819 ( 1.291 -0.000 -2.866) 3.143 5.292 ( 6.733 -0.000 13.011) 14.650 5.518 ( 1.228 -0.000 -11.399) 11.465 5.935 ( -7.392 0.000 0.571) 7.414 6.499 ( 2.177 -0.000 12.480) 12.669 6.675 ( -3.927 0.000 1.303) 4.137 7.044 ( 5.777 -0.000 -0.776) 5.828 7.054 ( 1.898 -0.000 0.667) 2.012 7.236 ( 5.045 -0.000 1.643) 5.306 7.342 ( -2.222 0.000 -0.861) 2.383 7.437 ( 7.342 -0.000 5.308) 9.060 8.091 ( 3.310 -0.000 1.005) 3.459 8.106 ( 0.017 -0.000 7.139) 7.139 8.297 ( 3.479 -0.000 4.694) 5.843 8.447 ( -10.480 0.000 -3.975) 11.208 8.474 ( -4.940 0.000 2.860) 5.709 8.843 ( -2.135 0.000 6.485) 6.827 9.132 ( -6.050 0.000 6.668) 9.004 9.214 ( -0.229 0.000 -0.328) 0.400 9.386 ( -1.857 0.000 9.965) 10.136 10.327 ( -1.247 0.000 -21.183) 21.220 10.555 ( -6.162 0.000 -19.471) 20.423 11.139 ( 9.367 -0.000 -4.881) 10.562 ======================= Grid point 175 (78/227) ======================= q-point: (-0.30 0.60 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 15.019 8.070 -2.924) 17.298 2.838 ( 4.781 5.097 -15.718) 17.202 3.498 ( -2.108 -3.181 -4.509) 5.907 3.618 ( -0.512 -4.034 -5.929) 7.189 3.786 ( -5.900 1.189 2.941) 6.699 3.961 ( -8.097 -10.612 -0.047) 13.349 4.767 ( 9.325 16.415 -0.574) 18.888 5.040 ( 7.066 -6.967 2.508) 10.235 5.436 ( 6.072 2.671 -0.208) 6.637 5.514 ( 2.530 -3.979 -0.293) 4.724 5.765 ( -13.641 -1.063 -2.328) 13.879 6.579 ( -0.436 2.134 12.720) 12.905 6.648 ( -1.093 -1.622 0.696) 2.076 7.074 ( 1.069 -0.330 -1.206) 1.645 7.132 ( 7.332 1.815 -1.216) 7.651 7.284 ( 0.725 3.501 -0.310) 3.589 7.393 ( 4.286 -6.565 2.444) 8.213 7.570 ( 6.131 1.792 5.134) 8.195 8.062 ( -11.291 2.077 9.123) 14.664 8.134 ( -2.334 -0.630 2.282) 3.325 8.218 ( -3.816 4.169 -3.891) 6.862 8.380 ( 0.464 -3.282 0.314) 3.329 8.447 ( -1.516 -4.187 -0.844) 4.533 8.822 ( -3.838 0.759 5.803) 6.999 9.018 ( -8.502 -0.115 0.276) 8.508 9.269 ( -1.859 -7.940 7.494) 11.076 9.450 ( 2.515 1.334 7.639) 8.152 10.189 ( 2.091 3.212 -17.721) 18.131 10.421 ( -2.872 -5.426 -14.901) 16.116 11.243 ( 9.818 4.352 -6.698) 12.657 ======================= Grid point 176 (79/227) ======================= q-point: (-0.20 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 3.116 11.248 -4.109) 12.374 2.944 ( 13.820 -1.458 -6.480) 15.333 3.408 ( -9.327 -4.398 -1.105) 10.371 3.485 ( -9.645 -4.876 -17.738) 20.771 3.781 ( 5.651 -0.414 -1.340) 5.823 4.057 ( 2.846 -13.113 1.348) 13.486 4.773 ( 7.686 14.412 1.665) 16.418 5.138 ( 1.865 2.416 0.398) 3.078 5.406 ( -9.052 1.810 -0.526) 9.246 5.523 ( -3.333 -1.905 -8.397) 9.233 5.700 ( 5.690 -5.370 4.407) 8.979 6.576 ( -5.098 3.677 10.933) 12.611 6.671 ( 1.207 -1.982 -0.244) 2.333 7.088 ( 1.650 -0.290 -1.891) 2.526 7.208 ( 3.911 5.862 1.327) 7.171 7.276 ( 3.481 -0.834 -1.711) 3.967 7.503 ( 2.912 3.881 0.375) 4.867 7.606 ( -4.384 -0.215 2.539) 5.071 7.874 ( -6.799 0.711 2.900) 7.425 8.066 ( -9.238 -4.019 6.652) 12.072 8.217 ( 4.178 1.710 -4.812) 6.598 8.418 ( 1.050 -1.959 0.538) 2.287 8.481 ( -0.562 -6.795 -2.006) 7.107 8.781 ( -0.752 4.194 1.026) 4.383 8.926 ( -2.786 -3.186 -2.161) 4.752 9.338 ( -3.946 -6.710 9.279) 12.112 9.488 ( 0.290 3.713 3.762) 5.293 10.168 ( 3.954 -0.496 -4.955) 6.358 10.384 ( -0.625 -9.577 -11.483) 14.966 11.289 ( 8.683 8.364 -7.845) 14.384 ======================= Grid point 177 (80/227) ======================= q-point: (-0.10 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -10.547 -1.836 2.221) 10.934 2.974 ( -14.588 -8.003 -1.966) 16.755 3.284 ( -3.231 -2.576 -23.137) 23.503 3.468 ( 13.931 -1.068 1.999) 14.114 3.906 ( 8.831 -2.334 -3.262) 9.699 4.240 ( 4.720 -9.897 0.423) 10.973 4.698 ( -8.862 5.315 1.836) 10.496 5.102 ( 1.913 5.551 -3.732) 6.957 5.249 ( -3.406 3.324 4.362) 6.456 5.492 ( 1.791 3.379 -6.392) 7.449 5.860 ( 7.141 -3.740 -2.297) 8.382 6.486 ( -8.057 4.009 9.039) 12.755 6.699 ( 1.364 0.048 -1.769) 2.234 7.109 ( 0.952 -0.757 -1.317) 1.793 7.184 ( 0.101 3.568 0.421) 3.594 7.315 ( -8.054 8.985 -5.660) 13.328 7.370 ( 5.082 0.030 1.778) 5.384 7.627 ( -1.555 -6.493 0.959) 6.745 7.861 ( 1.172 2.141 1.310) 2.770 8.001 ( -6.412 -3.690 3.976) 8.399 8.221 ( 3.226 3.232 -7.029) 8.381 8.446 ( 0.121 -0.600 0.845) 1.044 8.517 ( -0.118 -6.152 -1.692) 6.382 8.767 ( 0.537 0.017 -2.433) 2.491 8.928 ( 1.915 3.605 1.267) 4.274 9.391 ( -1.969 2.444 19.283) 19.537 9.447 ( 0.474 -1.661 -11.551) 11.679 10.222 ( 0.409 -1.241 8.030) 8.135 10.452 ( 1.677 -16.471 -12.521) 20.758 11.291 ( 7.911 10.043 -6.417) 14.305 ======================= Grid point 185 (81/227) ======================= q-point: (-0.30 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 6.573 -0.000 1.353) 6.711 2.796 ( 0.877 -0.000 -19.496) 19.516 3.365 ( -8.119 0.000 -0.122) 8.120 3.463 ( -3.396 0.000 -20.561) 20.839 3.831 ( 1.413 -0.000 0.011) 1.413 3.868 ( 7.616 -0.000 4.651) 8.923 4.939 ( -2.540 0.000 5.632) 6.178 5.150 ( 10.507 -0.000 -2.041) 10.703 5.416 ( -0.509 0.000 -8.410) 8.426 5.484 ( -13.157 0.000 -6.351) 14.610 5.658 ( 6.983 -0.000 9.560) 11.838 6.613 ( -5.249 0.000 10.524) 11.760 6.651 ( 2.091 -0.000 -0.285) 2.110 7.082 ( 0.716 -0.000 -1.117) 1.327 7.243 ( 7.796 -0.000 -1.982) 8.044 7.332 ( -0.038 0.000 0.792) 0.793 7.425 ( 2.828 -0.000 2.961) 4.095 7.706 ( 5.507 -0.000 1.426) 5.689 7.938 ( -14.894 0.000 -0.656) 14.909 7.969 ( -10.047 0.000 10.107) 14.251 8.236 ( 4.586 -0.000 -5.114) 6.869 8.364 ( -1.311 0.000 0.832) 1.553 8.423 ( 0.874 -0.000 -1.003) 1.330 8.851 ( 4.772 -0.000 3.466) 5.898 8.862 ( -7.958 0.000 -2.468) 8.332 9.270 ( -0.016 0.000 5.116) 5.116 9.527 ( -0.378 0.000 7.929) 7.938 10.145 ( 4.855 -0.000 -17.384) 18.049 10.314 ( -2.772 0.000 -2.129) 3.495 11.369 ( 8.924 -0.000 -9.003) 12.677 ======================= Grid point 186 (82/227) ======================= q-point: (-0.20 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -16.598 8.432 -9.347) 20.832 2.744 ( -20.652 -14.018 -7.489) 26.059 3.321 ( 3.646 3.656 -6.515) 8.312 3.434 ( 11.913 -2.256 -11.527) 16.729 3.908 ( 9.575 2.305 -0.248) 9.851 4.058 ( 4.955 -8.132 1.992) 9.728 4.770 ( -15.104 2.127 1.447) 15.321 5.229 ( -0.162 6.403 3.322) 7.215 5.287 ( -1.156 0.455 2.621) 2.901 5.499 ( 10.774 -1.643 -14.449) 18.098 5.813 ( 6.308 -1.330 5.642) 8.567 6.538 ( -8.895 1.527 7.258) 11.581 6.697 ( 3.476 -0.208 -1.456) 3.775 7.077 ( -1.219 -1.019 -1.544) 2.215 7.289 ( -1.015 5.711 1.363) 5.959 7.367 ( 7.818 0.270 -0.608) 7.846 7.458 ( -9.131 -3.765 -0.257) 9.880 7.573 ( -3.536 8.631 -4.010) 10.153 7.889 ( 1.998 0.155 1.865) 2.737 7.914 ( -3.982 -4.702 4.599) 7.689 8.267 ( 4.210 1.400 -7.016) 8.301 8.349 ( -3.608 -6.396 0.381) 7.354 8.468 ( 4.015 -0.370 1.149) 4.192 8.769 ( -1.697 0.209 -0.764) 1.872 8.969 ( 4.895 0.981 1.200) 5.135 9.327 ( 5.245 -2.920 0.013) 6.003 9.512 ( -4.734 2.762 9.090) 10.615 10.177 ( 5.732 -3.793 -9.776) 11.950 10.275 ( -3.958 -2.406 2.667) 5.345 11.426 ( 7.634 4.039 -10.130) 13.312 ======================= Grid point 187 (83/227) ======================= q-point: (-0.10 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -26.522 -3.955 -3.947) 27.104 2.436 ( -27.714 -17.912 -9.585) 34.363 3.244 ( -2.571 6.787 -10.925) 13.116 3.641 ( 7.494 -8.946 -0.003) 11.670 4.001 ( -4.970 -3.913 -0.617) 6.355 4.136 ( 5.773 -2.187 1.309) 6.310 4.681 ( 8.053 6.484 3.955) 11.070 5.150 ( -6.034 3.805 9.067) 11.537 5.349 ( 7.153 1.623 -3.319) 8.051 5.584 ( 11.227 6.373 -10.009) 16.335 5.929 ( 5.454 -0.463 -2.508) 6.021 6.409 ( -9.462 1.201 5.551) 11.035 6.725 ( 1.892 1.680 -3.114) 4.012 7.031 ( -5.922 -2.340 -2.103) 6.707 7.212 ( -4.877 2.201 -0.634) 5.388 7.248 ( -2.159 7.625 -4.852) 9.292 7.464 ( 4.063 1.065 1.484) 4.455 7.550 ( -3.697 -3.639 1.709) 5.462 7.877 ( -1.208 -3.300 -2.874) 4.539 7.978 ( 6.169 2.362 0.598) 6.633 8.269 ( 3.194 2.477 -5.623) 6.925 8.392 ( 1.616 -4.651 -0.038) 4.924 8.567 ( 6.716 -1.908 1.513) 7.144 8.749 ( -1.593 3.414 -0.612) 3.817 8.974 ( -2.148 0.304 3.259) 3.915 9.346 ( -3.197 -0.991 -13.535) 13.942 9.606 ( 11.527 3.188 18.507) 22.035 10.222 ( -4.835 -2.571 10.079) 11.471 10.292 ( 2.695 -9.931 -12.541) 16.222 11.439 ( 6.919 5.621 -8.487) 12.308 ======================= Grid point 196 (84/227) ======================= q-point: (-0.20 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -26.489 0.000 -12.425) 29.258 2.170 ( -31.624 0.000 -8.932) 32.862 3.359 ( -14.712 0.000 -9.182) 17.342 3.501 ( 12.187 -0.000 0.820) 12.215 3.961 ( -7.343 0.000 -0.664) 7.373 4.126 ( 14.808 -0.000 1.524) 14.886 4.745 ( 10.313 -0.000 4.608) 11.295 5.186 ( -7.062 0.000 9.572) 11.895 5.367 ( 4.099 -0.000 -1.657) 4.421 5.637 ( 15.732 -0.000 -15.469) 22.063 5.928 ( 5.369 -0.000 4.369) 6.922 6.420 ( -10.241 0.000 4.078) 11.023 6.740 ( 2.739 -0.000 -2.973) 4.043 7.010 ( -5.421 0.000 -1.725) 5.689 7.257 ( -9.286 0.000 -5.043) 10.567 7.300 ( -2.859 0.000 2.361) 3.708 7.478 ( 4.349 -0.000 1.243) 4.524 7.537 ( -3.103 0.000 -2.922) 4.262 7.816 ( -0.579 0.000 -0.804) 0.990 8.027 ( 7.004 -0.000 -1.645) 7.195 8.288 ( 0.566 -0.000 0.100) 0.575 8.322 ( 7.627 -0.000 -5.185) 9.223 8.548 ( 4.365 -0.000 2.301) 4.934 8.786 ( 3.025 -0.000 1.924) 3.585 8.968 ( -5.977 0.000 2.396) 6.440 9.330 ( -1.476 0.000 -15.212) 15.283 9.639 ( 10.346 -0.000 21.231) 23.617 10.194 ( 6.635 -0.000 -13.264) 14.831 10.210 ( -8.107 0.000 10.355) 13.151 11.494 ( 6.566 -0.000 -11.528) 13.267 ======================= Grid point 197 (85/227) ======================= q-point: (-0.10 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -32.224 -0.769 -5.193) 32.649 1.743 ( -31.027 -17.933 -9.089) 36.971 2.852 ( -42.930 -4.094 4.720) 43.382 3.707 ( 11.293 -0.442 -0.404) 11.309 3.937 ( 3.598 -1.016 -4.174) 5.603 4.385 ( 15.850 1.594 3.688) 16.351 4.930 ( 4.133 4.137 6.240) 8.552 5.190 ( 6.718 4.273 7.893) 11.212 5.395 ( 0.938 -0.303 -1.552) 1.838 5.783 ( 14.297 2.072 -13.816) 19.989 6.005 ( 3.840 3.906 -1.154) 5.598 6.284 ( -8.947 -1.270 3.667) 9.752 6.721 ( -2.014 0.774 -4.637) 5.114 6.922 ( -3.126 -0.310 -1.773) 3.607 7.131 ( -3.083 -0.060 -4.748) 5.662 7.258 ( -2.878 2.551 3.674) 5.319 7.462 ( -5.128 -1.244 -0.294) 5.285 7.504 ( -0.860 0.048 1.343) 1.595 7.864 ( 5.733 -0.791 -5.699) 8.122 8.085 ( 4.131 -0.061 -2.338) 4.747 8.321 ( 4.339 1.940 -1.818) 5.089 8.475 ( 10.829 0.670 -1.333) 10.931 8.621 ( 0.478 -2.155 2.679) 3.471 8.807 ( 2.155 6.349 0.719) 6.743 8.923 ( -1.540 -5.462 2.651) 6.264 9.182 ( -6.239 -0.897 -13.004) 14.451 9.946 ( 12.589 1.678 17.367) 21.515 10.130 ( -10.664 -2.449 11.289) 15.721 10.230 ( 6.371 -2.173 -14.654) 16.126 11.521 ( 6.266 1.516 -10.185) 12.054 ======================= Grid point 207 (86/227) ======================= q-point: (-0.10 -0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -31.301 0.000 2.801) 31.427 1.104 ( -32.340 0.000 3.079) 32.486 2.106 ( -53.182 0.000 18.770) 56.397 3.903 ( 12.361 -0.000 -1.499) 12.451 3.972 ( 3.419 -0.000 -4.370) 5.548 4.633 ( 9.978 -0.000 4.315) 10.871 4.910 ( -6.690 0.000 1.352) 6.825 5.374 ( -0.066 0.000 -2.861) 2.862 5.520 ( 17.708 -0.000 12.388) 21.611 5.887 ( 7.036 -0.000 -11.558) 13.531 6.091 ( 3.816 -0.000 -2.896) 4.790 6.182 ( -3.227 0.000 5.111) 6.044 6.656 ( -2.167 0.000 -2.942) 3.654 6.894 ( -0.307 0.000 -1.924) 1.948 7.078 ( -0.169 0.000 -3.644) 3.648 7.266 ( -2.110 0.000 9.216) 9.454 7.360 ( -5.604 0.000 -1.202) 5.731 7.496 ( 1.015 -0.000 -0.005) 1.015 7.902 ( -0.173 0.000 -9.129) 9.130 8.104 ( 1.417 -0.000 -0.577) 1.530 8.347 ( -0.821 0.000 -4.337) 4.415 8.620 ( 0.584 -0.000 1.113) 1.257 8.700 ( 13.807 -0.000 -0.143) 13.808 8.845 ( 1.661 -0.000 1.049) 1.964 8.948 ( 5.450 -0.000 -0.796) 5.508 9.020 ( -4.859 0.000 -7.985) 9.347 9.980 ( -13.861 0.000 9.647) 16.888 10.084 ( 0.906 -0.000 -7.192) 7.249 10.357 ( 11.437 -0.000 3.588) 11.986 11.571 ( 6.884 -0.000 -8.766) 11.146 ======================= Grid point 208 (87/227) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 7.022 -0.000 30.721) 31.513 1.535 ( -8.341 0.000 30.874) 31.981 2.398 ( -0.242 0.000 49.269) 49.270 3.937 ( -3.293 0.000 2.001) 3.853 4.124 ( 3.067 -0.000 -1.898) 3.606 4.495 ( -1.163 0.000 -8.540) 8.619 4.536 ( -6.809 0.000 -7.260) 9.954 5.470 ( 4.130 -0.000 1.888) 4.541 5.804 ( -9.008 0.000 -0.237) 9.011 5.855 ( -2.599 0.000 -10.112) 10.441 5.894 ( 4.733 -0.000 -2.466) 5.337 6.708 ( 1.038 -0.000 0.923) 1.389 6.809 ( 2.858 -0.000 -1.852) 3.406 6.904 ( -4.829 0.000 -6.181) 7.844 7.166 ( 5.912 -0.000 -0.156) 5.914 7.268 ( 2.544 -0.000 2.715) 3.721 7.303 ( -0.521 0.000 3.441) 3.480 7.613 ( 19.807 -0.000 0.220) 19.808 7.642 ( -9.933 0.000 1.895) 10.112 7.983 ( 5.415 -0.000 -6.239) 8.261 8.306 ( 3.716 -0.000 6.146) 7.182 8.631 ( -3.077 0.000 -5.037) 5.902 8.706 ( 19.666 -0.000 -5.827) 20.511 8.845 ( -3.697 0.000 -1.489) 3.985 9.210 ( 14.916 -0.000 -1.067) 14.954 9.253 ( -6.508 0.000 3.714) 7.493 9.558 ( -20.788 0.000 0.173) 20.789 9.565 ( 1.598 -0.000 -7.545) 7.713 10.609 ( -1.489 0.000 7.807) 7.947 11.762 ( 0.370 -0.000 2.912) 2.936 ======================= Grid point 209 (88/227) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 3.067 -2.982 29.554) 29.862 1.883 ( 14.074 -5.615 26.933) 30.903 2.758 ( 11.091 -6.106 34.114) 36.388 3.862 ( -4.084 2.370 -1.511) 4.958 4.077 ( -4.517 2.371 0.025) 5.102 4.443 ( -2.799 -2.866 -6.453) 7.595 4.501 ( 5.133 -0.362 -4.887) 7.096 5.440 ( -12.331 11.298 -0.139) 16.725 5.524 ( -8.481 0.578 0.212) 8.504 5.738 ( -6.179 -0.838 -9.677) 11.512 5.998 ( 6.475 1.202 0.174) 6.588 6.705 ( -0.178 1.622 -2.002) 2.583 6.784 ( -0.477 4.763 1.486) 5.012 6.857 ( 2.554 0.770 0.485) 2.712 7.265 ( 3.971 0.705 -0.598) 4.077 7.307 ( 1.426 -4.278 -3.006) 5.420 7.374 ( 0.872 -8.535 4.136) 9.525 7.393 ( -14.909 1.210 -1.251) 15.010 7.990 ( 21.722 -2.703 -6.261) 22.767 8.100 ( 9.426 3.218 -5.224) 11.247 8.383 ( 1.978 -0.850 3.798) 4.366 8.556 ( -0.233 3.022 -3.504) 4.633 8.772 ( -2.864 1.460 -0.172) 3.220 8.957 ( 4.020 0.992 -2.088) 4.637 9.114 ( -9.768 4.226 -2.545) 10.943 9.251 ( -4.536 -9.621 -2.793) 10.998 9.494 ( 14.253 -0.187 4.713) 15.013 9.555 ( -2.646 -2.705 -2.504) 4.538 10.622 ( -1.552 0.173 3.424) 3.763 11.682 ( -7.712 7.047 2.781) 10.811 ======================= Grid point 210 (89/227) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 8.438 -4.041 22.586) 24.447 2.294 ( 15.929 -0.692 23.226) 28.171 3.208 ( 20.308 -9.005 8.439) 23.764 3.753 ( -2.604 5.500 -5.210) 8.011 4.027 ( -2.564 -1.479 3.921) 4.913 4.350 ( -8.489 0.572 -2.198) 8.788 4.601 ( 7.227 -2.927 1.368) 7.916 5.048 ( -18.723 10.016 -0.617) 21.242 5.423 ( -6.253 0.188 -5.805) 8.534 5.603 ( -4.548 1.371 -4.464) 6.519 6.053 ( 3.469 4.115 -1.967) 5.730 6.662 ( -1.298 3.185 0.769) 3.524 6.786 ( 0.246 -0.538 1.518) 1.629 6.876 ( 0.484 0.426 0.040) 0.646 7.183 ( -7.598 0.614 -1.817) 7.837 7.278 ( 2.411 3.385 -1.320) 4.360 7.371 ( 2.730 -3.743 -4.477) 6.443 7.520 ( 2.227 -10.725 4.543) 11.859 8.075 ( -1.774 7.307 -4.662) 8.847 8.228 ( 9.472 -1.658 -4.326) 10.544 8.453 ( 1.470 -5.303 -0.290) 5.511 8.542 ( 4.757 5.233 -3.844) 8.050 8.698 ( -7.634 2.820 4.733) 9.415 8.762 ( -15.535 4.111 -5.792) 17.082 8.891 ( -9.103 -5.945 -2.307) 11.114 9.438 ( -2.309 0.464 -3.047) 3.851 9.546 ( 12.441 -7.308 2.694) 14.678 9.811 ( 16.878 -2.204 8.080) 18.842 10.582 ( -2.679 0.754 -3.336) 4.344 11.447 ( -10.159 13.271 -0.138) 16.714 ======================= Grid point 211 (90/227) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 12.793 -3.617 11.535) 17.601 2.671 ( 19.156 3.762 18.237) 26.715 3.536 ( 4.066 0.542 -5.359) 6.749 3.708 ( 10.910 -4.113 -7.032) 13.616 3.984 ( -2.403 6.359 -3.036) 7.445 4.144 ( -11.429 4.773 0.301) 12.389 4.680 ( -12.645 7.055 0.294) 14.483 4.842 ( 6.477 -9.404 10.138) 15.269 5.273 ( -7.241 -4.082 -12.374) 14.907 5.511 ( -4.281 2.465 0.248) 4.946 6.002 ( 0.121 7.903 -5.034) 9.370 6.628 ( -2.934 -0.186 4.540) 5.409 6.784 ( -1.992 -0.423 -0.546) 2.108 6.883 ( 0.443 -2.135 -1.360) 2.570 7.118 ( -1.332 -1.473 0.135) 1.990 7.287 ( 4.279 3.983 -1.133) 5.955 7.399 ( 2.129 0.634 -4.962) 5.437 7.665 ( 0.960 -8.923 3.453) 9.616 7.927 ( -5.976 3.281 -3.778) 7.794 8.276 ( -3.454 2.641 -1.141) 4.495 8.395 ( -10.067 1.418 -4.803) 11.244 8.466 ( -8.118 -2.361 2.328) 8.769 8.593 ( -3.255 -1.334 1.082) 3.680 8.622 ( 4.981 3.701 -3.483) 7.116 8.844 ( -2.007 -4.196 -6.773) 8.217 9.349 ( -7.777 -4.554 3.002) 9.499 9.781 ( 5.550 0.391 3.316) 6.478 10.128 ( 13.688 -0.037 11.371) 17.796 10.546 ( 4.685 -2.509 -9.024) 10.473 11.149 ( -7.564 16.712 -4.171) 18.812 ======================= Grid point 212 (91/227) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 15.213 -3.260 0.659) 15.572 3.014 ( 16.748 11.042 15.840) 25.560 3.400 ( -7.677 1.454 -6.523) 10.178 3.654 ( -13.602 10.637 -6.991) 18.629 3.886 ( 0.301 7.703 -4.020) 8.694 4.177 ( 16.236 -9.491 -4.212) 19.272 4.460 ( -4.554 5.987 -0.938) 7.580 5.029 ( -2.910 -3.220 0.096) 4.341 5.194 ( -1.261 -10.756 -7.683) 13.278 5.408 ( -7.074 0.449 2.597) 7.549 5.888 ( -0.310 8.364 -5.648) 10.097 6.622 ( -3.677 -2.540 6.631) 7.996 6.720 ( -4.459 0.986 -1.726) 4.882 6.918 ( 1.580 -4.264 -2.968) 5.431 7.139 ( -0.433 -4.102 0.881) 4.218 7.338 ( 6.166 4.905 0.624) 7.904 7.357 ( -0.513 4.484 -4.345) 6.265 7.721 ( -3.349 -3.753 0.402) 5.046 7.834 ( -3.483 -3.722 -0.754) 5.153 8.081 ( -7.182 3.440 -3.701) 8.781 8.302 ( -12.753 -1.054 4.375) 13.524 8.356 ( 0.526 -2.298 -3.500) 4.220 8.621 ( -0.424 -3.028 0.483) 3.095 8.644 ( 3.753 2.796 -2.965) 5.540 8.812 ( 0.447 -2.002 -5.462) 5.834 9.315 ( -5.406 -6.362 0.717) 8.379 9.724 ( -11.713 0.639 6.774) 13.546 10.368 ( 10.071 2.402 11.231) 15.275 10.660 ( 11.646 5.964 -13.419) 18.742 10.914 ( 0.769 8.938 -3.342) 9.573 ======================= Grid point 213 (92/227) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 2.268 -1.142 -21.115) 21.267 2.918 ( -5.680 19.953 17.756) 27.306 3.226 ( -18.941 15.301 -0.724) 24.360 3.522 ( 15.923 -3.204 2.847) 16.489 3.865 ( 8.427 4.250 -6.073) 11.223 4.350 ( 1.795 -1.449 0.882) 2.470 4.607 ( 17.217 -5.863 -2.857) 18.411 4.855 ( -9.986 2.516 -10.021) 14.369 5.146 ( -7.387 -5.167 -8.217) 12.198 5.408 ( -3.169 -8.258 6.286) 10.851 5.801 ( 1.562 5.060 -6.076) 8.060 6.604 ( -7.160 -1.831 6.300) 9.711 6.641 ( -1.966 -0.389 -2.589) 3.274 6.969 ( 1.572 -4.948 -3.915) 6.502 7.152 ( -4.080 -1.564 -2.662) 5.116 7.241 ( -0.493 5.063 -0.228) 5.092 7.427 ( 5.028 1.465 2.363) 5.745 7.680 ( -3.451 -1.291 -0.524) 3.722 7.814 ( -1.134 -0.102 -1.866) 2.186 8.035 ( 1.987 -4.308 -2.705) 5.461 8.137 ( -9.750 0.828 4.067) 10.596 8.407 ( 3.532 -3.486 -0.970) 5.056 8.565 ( -2.796 4.800 -2.827) 6.233 8.662 ( -1.603 -5.045 -4.002) 6.636 8.890 ( 4.980 -5.050 3.034) 7.714 9.249 ( -5.465 -0.789 -6.444) 8.486 9.635 ( -8.174 -9.240 12.927) 17.869 10.463 ( 1.928 12.294 -11.138) 16.701 10.564 ( 4.326 12.511 6.309) 14.664 11.036 ( 13.365 -1.569 -4.563) 14.209 ======================= Grid point 214 (93/227) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -21.058 15.485 -7.032) 27.068 2.650 ( -17.661 23.882 -2.479) 29.806 3.126 ( 5.753 -1.846 13.008) 14.343 3.737 ( 10.121 3.637 -2.775) 11.107 4.031 ( 11.384 -0.294 -1.355) 11.468 4.275 ( -13.068 11.101 -0.301) 17.149 4.593 ( 3.894 -9.245 2.387) 10.311 5.049 ( -0.833 -8.682 -11.389) 14.345 5.066 ( 17.163 -7.152 -8.947) 20.634 5.452 ( -4.627 -8.109 6.384) 11.310 5.773 ( 2.605 0.654 -6.941) 7.443 6.518 ( -8.019 -0.536 4.207) 9.071 6.627 ( 0.153 -1.134 -1.503) 1.889 6.957 ( -4.560 -0.276 -5.847) 7.419 7.072 ( -0.139 -0.247 -1.817) 1.839 7.246 ( -0.212 -0.310 2.356) 2.386 7.483 ( 2.284 0.689 0.236) 2.397 7.632 ( -3.311 0.755 0.895) 3.512 7.800 ( 0.147 -0.666 -2.619) 2.706 8.044 ( 0.204 1.581 2.094) 2.632 8.140 ( 4.492 -3.755 0.101) 5.856 8.436 ( -2.430 2.075 -1.261) 3.436 8.549 ( 6.396 -4.184 -1.781) 7.848 8.638 ( -3.611 -3.829 -3.982) 6.600 9.010 ( -4.335 -8.970 8.064) 12.817 9.133 ( -1.893 2.094 -7.762) 8.260 9.792 ( 5.116 -13.226 12.293) 18.767 10.226 ( -0.580 16.144 -17.152) 23.562 10.570 ( -1.602 8.531 10.798) 13.855 11.214 ( 13.251 2.181 -7.481) 15.372 ======================= Grid point 215 (94/227) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -18.050 16.276 6.828) 25.245 2.123 ( -20.574 24.977 6.797) 33.065 3.198 ( -14.306 7.269 17.212) 23.532 3.744 ( -5.266 5.759 -0.952) 7.862 3.845 ( 4.164 2.297 -8.139) 9.426 4.436 ( 17.136 -3.420 5.198) 18.231 4.808 ( 0.671 -13.298 -3.345) 13.729 5.051 ( 3.073 -12.105 -4.803) 13.380 5.316 ( 10.981 0.024 -9.093) 14.258 5.551 ( 6.316 -9.351 2.477) 11.552 5.794 ( 2.474 -3.922 -5.357) 7.085 6.420 ( -5.797 1.995 4.418) 7.556 6.637 ( 0.387 -0.420 -0.545) 0.789 6.861 ( -1.910 0.925 -3.981) 4.511 7.064 ( -0.591 0.415 -2.228) 2.342 7.261 ( -1.378 -3.034 3.182) 4.608 7.490 ( 0.287 0.751 -1.930) 2.091 7.573 ( -3.032 2.984 2.973) 5.190 7.798 ( -0.468 -1.927 0.015) 1.983 8.114 ( 7.126 2.194 1.538) 7.613 8.239 ( 4.352 -1.694 -0.478) 4.695 8.420 ( 3.376 -1.918 -2.308) 4.517 8.559 ( -6.732 -4.500 -6.638) 10.470 8.709 ( 7.629 -4.815 -1.780) 9.196 9.000 ( -8.269 -6.755 6.130) 12.312 9.070 ( -0.516 4.266 -1.798) 4.658 9.989 ( 0.036 10.844 -17.135) 20.278 10.121 ( 9.268 -12.775 9.906) 18.634 10.467 ( -7.395 8.957 9.382) 14.931 11.336 ( 12.745 5.126 -8.937) 16.389 ======================= Grid point 216 (95/227) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -13.176 13.250 22.544) 29.282 1.675 ( -14.684 22.263 21.452) 34.227 2.736 ( -34.901 14.755 24.552) 45.151 3.813 ( 9.187 -4.028 -1.612) 10.160 3.899 ( 6.481 0.634 -4.486) 7.908 4.676 ( 0.164 -4.427 1.932) 4.833 4.818 ( -0.625 -4.228 -4.641) 6.309 5.183 ( 0.734 -10.583 -4.809) 11.647 5.484 ( 14.386 -4.889 -5.799) 16.263 5.782 ( 9.332 -7.586 -1.040) 12.071 5.860 ( 3.135 -6.334 -3.366) 7.828 6.393 ( 3.244 2.420 7.693) 8.693 6.643 ( 1.280 1.243 1.420) 2.280 6.832 ( 0.078 -0.081 -3.081) 3.083 7.042 ( 1.184 1.116 -1.090) 1.959 7.287 ( -2.568 -4.656 2.639) 5.937 7.479 ( 1.659 1.032 -2.766) 3.387 7.528 ( -0.679 4.261 5.761) 7.197 7.794 ( -5.481 -1.608 0.456) 5.731 8.165 ( -0.118 2.883 0.636) 2.955 8.263 ( -0.298 0.594 -2.699) 2.779 8.434 ( 0.179 0.262 -12.778) 12.781 8.589 ( 8.494 -8.059 -0.529) 11.721 8.837 ( 4.510 -4.390 -0.872) 6.353 8.954 ( -6.630 -0.462 2.703) 7.175 9.061 ( 5.874 2.637 3.372) 7.268 9.813 ( -1.417 5.471 -15.662) 16.651 10.187 ( -14.362 3.647 5.242) 15.718 10.479 ( 6.963 -3.435 7.297) 10.655 11.456 ( 13.311 3.166 -5.130) 14.612 ======================= Grid point 217 (96/227) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -8.043 11.157 29.210) 32.286 1.563 ( -8.846 8.603 32.592) 34.849 2.323 ( -21.366 8.421 40.702) 46.735 3.932 ( 2.815 -0.581 -0.337) 2.893 4.015 ( 8.327 -3.170 -1.580) 9.049 4.602 ( -8.399 -5.338 -7.206) 12.287 4.728 ( -7.798 4.971 -4.036) 10.090 5.333 ( 8.507 -6.196 -0.956) 10.568 5.698 ( 9.731 -4.767 -2.749) 11.179 5.880 ( 0.239 -6.570 -7.275) 9.805 5.950 ( 1.553 -1.152 -3.482) 3.983 6.626 ( 11.368 -6.613 4.586) 13.928 6.702 ( 9.723 -0.800 5.344) 11.124 6.812 ( 0.155 0.288 -2.772) 2.791 7.091 ( 6.902 2.221 0.348) 7.259 7.280 ( -4.722 -4.171 2.251) 6.690 7.475 ( 1.344 2.883 1.025) 3.342 7.506 ( -12.333 10.373 -2.438) 16.299 7.624 ( 1.459 1.039 3.473) 3.908 8.095 ( -8.879 -2.774 -6.348) 11.262 8.228 ( 1.732 2.281 3.179) 4.279 8.474 ( 14.357 2.486 -9.423) 17.352 8.704 ( -4.905 -7.185 -1.447) 8.819 8.887 ( -0.517 1.214 -0.018) 1.319 8.989 ( 12.994 -0.139 -1.856) 13.127 9.197 ( 6.673 -1.547 5.722) 8.926 9.653 ( -3.663 2.869 -12.568) 13.402 9.897 ( -19.060 3.903 2.512) 19.617 10.588 ( 0.715 0.358 5.394) 5.453 11.643 ( 10.432 -2.204 1.005) 10.710 ======================= Grid point 219 (97/227) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 9.202 -0.000 24.839) 26.488 2.277 ( 20.647 -0.000 18.036) 27.415 3.132 ( 20.817 -0.000 17.562) 27.235 3.828 ( -1.135 0.000 -1.381) 1.787 3.974 ( -7.976 0.000 3.395) 8.668 4.351 ( -4.159 0.000 -6.559) 7.766 4.586 ( 6.608 -0.000 0.708) 6.646 5.145 ( -22.922 0.000 -1.613) 22.979 5.429 ( -7.731 0.000 -5.989) 9.779 5.615 ( -3.528 0.000 -3.945) 5.292 6.092 ( 4.524 -0.000 -0.604) 4.564 6.718 ( 2.306 -0.000 -3.815) 4.458 6.767 ( -6.412 0.000 4.137) 7.631 6.883 ( -0.180 0.000 -0.479) 0.512 7.196 ( -6.400 0.000 -2.969) 7.055 7.304 ( 2.923 -0.000 -2.039) 3.564 7.324 ( 2.371 -0.000 -0.179) 2.378 7.407 ( 4.662 -0.000 1.636) 4.941 8.190 ( 5.535 -0.000 -9.330) 10.848 8.212 ( 9.136 -0.000 -4.054) 9.995 8.359 ( -5.270 0.000 1.594) 5.506 8.583 ( 4.504 -0.000 -5.464) 7.081 8.757 ( -0.641 0.000 2.407) 2.490 8.776 ( -16.555 0.000 4.591) 17.180 8.837 ( -18.884 0.000 -5.845) 19.768 9.434 ( -8.972 0.000 -1.267) 9.061 9.477 ( 23.468 -0.000 -0.104) 23.468 9.796 ( 17.897 -0.000 8.892) 19.984 10.589 ( -4.048 0.000 -1.323) 4.259 11.574 ( -10.205 0.000 -0.738) 10.231 ======================= Grid point 220 (98/227) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 14.167 -0.528 12.360) 18.809 2.692 ( 20.625 -0.671 11.077) 23.421 3.558 ( 24.540 1.338 -0.171) 24.577 3.749 ( -2.997 7.709 -0.982) 8.329 3.965 ( -2.903 -8.255 8.292) 12.056 4.203 ( -9.688 2.192 -3.908) 10.675 4.715 ( 5.225 -1.206 5.482) 7.669 4.785 ( -17.393 1.381 -0.468) 17.454 5.224 ( -9.789 -1.348 -14.968) 17.935 5.554 ( -3.511 1.545 1.105) 3.992 6.116 ( 1.367 3.659 -3.199) 5.049 6.650 ( -6.445 2.018 4.695) 8.225 6.753 ( 0.593 -2.627 -2.862) 3.929 6.854 ( -1.925 -0.594 -2.378) 3.117 7.127 ( -0.805 1.761 -1.392) 2.385 7.337 ( 2.130 -0.851 -2.080) 3.096 7.379 ( 4.775 0.216 -2.032) 5.194 7.518 ( 4.582 -5.440 1.528) 7.275 8.071 ( -5.730 11.212 -4.329) 13.315 8.284 ( -0.336 -1.673 -2.512) 3.037 8.334 ( -4.150 -9.446 -2.265) 10.563 8.451 ( -15.877 3.470 0.263) 16.254 8.549 ( -12.165 -3.108 -2.830) 12.871 8.696 ( 5.898 2.892 -3.522) 7.453 8.788 ( 0.515 -1.464 0.347) 1.591 9.268 ( -12.606 -2.985 1.951) 13.100 9.789 ( 11.087 0.245 2.428) 11.353 10.145 ( 18.326 1.086 11.674) 21.756 10.509 ( -0.868 -1.107 -5.301) 5.485 11.374 ( -8.143 6.664 -5.871) 12.049 ======================= Grid point 221 (99/227) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 16.086 -1.041 -0.687) 16.134 3.071 ( 19.021 -3.504 5.422) 20.086 3.568 ( -7.132 14.835 5.250) 17.277 3.794 ( -0.720 5.491 -2.084) 5.918 3.994 ( -0.969 3.446 -2.064) 4.132 4.087 ( 8.716 -2.531 -4.484) 10.123 4.516 ( -10.080 0.237 -1.432) 10.184 4.932 ( 6.220 -6.717 9.440) 13.150 5.015 ( -7.931 -6.262 -16.952) 19.736 5.464 ( -6.138 3.838 1.340) 7.362 6.036 ( -1.303 7.033 -5.955) 9.307 6.592 ( -4.949 -0.961 7.618) 9.135 6.722 ( -4.751 -0.586 -2.111) 5.232 6.854 ( 2.935 -2.524 -4.961) 6.293 7.108 ( 0.297 0.590 -0.419) 0.782 7.367 ( 1.550 -1.541 -2.407) 3.251 7.434 ( 5.002 2.559 -2.085) 5.993 7.644 ( 3.271 -4.959 1.808) 6.210 7.836 ( -8.924 6.883 -2.165) 11.476 8.157 ( -10.793 3.638 -2.284) 11.616 8.239 ( -12.857 -5.259 3.380) 14.296 8.323 ( 0.447 -1.147 -3.905) 4.095 8.494 ( -2.705 -9.044 -2.357) 9.730 8.729 ( 2.435 4.726 -0.624) 5.353 8.787 ( 0.334 -0.389 -4.068) 4.100 9.153 ( -10.321 -9.271 4.006) 14.441 9.755 ( -12.960 1.665 0.564) 13.079 10.444 ( 14.798 5.212 10.288) 18.761 10.639 ( 15.560 -3.672 -3.383) 16.341 11.150 ( -3.905 11.274 -8.684) 14.757 ======================= Grid point 222 (100/227) ======================= q-point: (-0.60 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 10.682 -1.447 -13.909) 17.597 3.287 ( -10.797 14.572 8.621) 20.081 3.394 ( 2.493 -0.700 3.762) 4.567 3.551 ( -0.987 13.891 1.672) 14.026 3.961 ( 3.370 4.878 -4.354) 7.356 4.258 ( 1.838 -5.308 -2.338) 6.084 4.538 ( 17.817 -3.250 -5.071) 18.808 4.849 ( -7.454 -4.852 -12.321) 15.195 5.096 ( -1.431 -2.258 -2.020) 3.350 5.316 ( -7.961 0.977 4.821) 9.359 5.909 ( -1.758 6.144 -6.785) 9.321 6.571 ( -6.407 -1.610 8.116) 10.465 6.631 ( -3.997 -0.814 -2.441) 4.753 6.908 ( 3.910 -2.105 -4.506) 6.327 7.118 ( 0.640 -0.754 -0.519) 1.117 7.343 ( -2.417 2.653 -5.331) 6.426 7.466 ( 2.657 3.254 3.464) 5.445 7.649 ( -3.494 0.408 0.937) 3.640 7.788 ( 3.229 -4.092 -0.780) 5.270 7.984 ( -5.991 -0.288 -3.520) 6.954 8.127 ( -6.987 -1.840 4.437) 8.479 8.348 ( 2.250 -2.874 -2.081) 4.202 8.528 ( -2.269 -9.272 -3.473) 10.158 8.651 ( -3.877 4.986 -1.973) 6.617 8.805 ( -0.323 -3.507 1.321) 3.762 9.136 ( -6.958 -10.558 1.613) 12.747 9.522 ( -12.514 -3.183 0.413) 12.920 10.621 ( 8.909 8.084 2.177) 12.225 10.824 ( 6.585 9.393 -7.459) 13.683 11.044 ( 9.605 3.792 0.637) 10.346 ======================= Grid point 223 (101/227) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -8.649 11.885 -17.043) 22.506 3.052 ( -18.102 18.312 -1.083) 25.772 3.176 ( 3.175 8.073 18.033) 20.011 3.751 ( 10.907 -2.032 -0.537) 11.107 4.007 ( 10.654 -0.809 -5.275) 11.916 4.325 ( 0.900 -9.258 -0.445) 9.312 4.615 ( -13.464 12.084 -0.723) 18.106 4.902 ( -3.401 -4.746 -8.593) 10.389 4.959 ( 19.859 -4.095 -9.037) 22.199 5.311 ( -4.398 -6.368 5.616) 9.562 5.809 ( -0.660 2.484 -7.518) 7.945 6.498 ( -6.869 -1.069 4.018) 8.030 6.606 ( -1.322 -1.591 1.004) 2.300 6.950 ( 2.191 -0.333 -4.068) 4.633 7.086 ( -3.256 1.703 -1.870) 4.123 7.268 ( -0.085 1.799 -1.795) 2.543 7.494 ( 0.561 0.646 2.465) 2.609 7.624 ( -1.943 -0.836 2.254) 3.091 7.807 ( -1.046 1.207 -2.964) 3.367 7.989 ( 3.081 -7.484 -1.873) 8.308 8.124 ( 3.343 1.789 4.506) 5.889 8.405 ( -0.925 -5.027 1.208) 5.252 8.514 ( -4.276 -1.364 -6.452) 7.860 8.560 ( -0.730 -3.285 -2.826) 4.395 8.834 ( -6.112 -8.450 6.692) 12.391 9.104 ( -4.941 -5.403 -3.270) 8.018 9.537 ( 3.193 -13.189 4.547) 14.311 10.518 ( -1.049 14.461 -16.748) 22.152 10.780 ( 2.737 13.311 7.690) 15.614 11.246 ( 13.591 1.083 -0.617) 13.648 ======================= Grid point 224 (102/227) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -11.527 20.647 -1.655) 23.705 2.575 ( -18.082 23.188 3.853) 29.656 3.312 ( 4.777 4.143 15.258) 16.516 3.843 ( 4.136 0.114 -4.947) 6.449 3.979 ( -17.675 15.041 -5.854) 23.935 4.360 ( 12.752 -3.471 4.730) 14.036 4.535 ( 0.081 -14.843 -2.408) 15.038 4.840 ( -1.282 -9.635 -5.859) 11.349 5.312 ( -0.820 -3.073 -0.536) 3.225 5.359 ( 18.946 -7.661 -2.999) 20.655 5.758 ( 0.386 -0.910 -7.365) 7.432 6.437 ( -4.191 0.173 4.732) 6.324 6.621 ( 0.381 -1.498 1.834) 2.399 6.905 ( -1.483 3.831 -4.014) 5.743 7.052 ( -0.174 -1.305 -0.768) 1.524 7.244 ( -1.309 0.533 -0.210) 1.428 7.495 ( -0.547 0.123 -0.294) 0.633 7.617 ( -0.967 1.762 4.649) 5.065 7.771 ( -0.990 -1.067 -2.317) 2.736 8.125 ( 7.759 -3.606 -1.230) 8.644 8.217 ( 6.625 1.282 2.477) 7.188 8.378 ( -4.666 -3.425 0.170) 5.791 8.445 ( -6.974 -6.048 -2.064) 9.459 8.631 ( 7.111 -5.065 -6.930) 11.147 8.847 ( -5.276 -7.535 6.399) 11.205 9.073 ( -2.305 -3.868 -1.976) 4.917 9.838 ( 10.550 -17.077 6.717) 21.167 10.242 ( -2.942 15.291 -17.883) 23.712 10.689 ( -3.747 14.415 7.173) 16.531 11.410 ( 10.966 2.577 -4.356) 12.077 ======================= Grid point 225 (103/227) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -8.146 21.045 13.795) 26.449 2.134 ( -13.790 25.427 12.589) 31.546 3.138 ( -24.135 27.497 21.253) 42.311 3.729 ( 3.778 -4.227 -1.816) 5.952 3.888 ( 3.483 -1.995 -6.337) 7.501 4.565 ( -4.790 -8.180 -3.817) 10.219 4.691 ( 14.079 -9.411 -0.511) 16.942 4.939 ( -1.933 -13.980 -1.879) 14.238 5.353 ( 1.889 -8.732 1.100) 9.002 5.667 ( 14.361 -3.927 -4.975) 15.697 5.763 ( 2.839 -4.052 -5.661) 7.518 6.429 ( 0.716 1.375 6.859) 7.032 6.656 ( 1.105 -0.103 3.166) 3.355 6.845 ( -0.192 1.958 -2.560) 3.229 7.058 ( 1.299 0.113 -0.540) 1.411 7.232 ( -0.888 -1.123 1.422) 2.018 7.486 ( 0.569 -0.071 -2.056) 2.135 7.610 ( 0.028 4.229 5.982) 7.326 7.758 ( -1.841 -1.831 -0.866) 2.737 8.217 ( 0.119 0.437 -1.911) 1.964 8.281 ( -1.023 1.765 -1.201) 2.367 8.391 ( 4.747 -4.602 -5.368) 8.516 8.421 ( -0.999 -9.755 0.784) 9.837 8.764 ( 8.666 -3.648 -2.568) 9.747 8.886 ( -1.132 -3.851 3.280) 5.183 9.085 ( 1.597 -2.451 -0.303) 2.941 9.967 ( -3.442 10.979 -16.151) 19.830 10.157 ( 3.079 -9.997 5.588) 11.859 10.516 ( -3.825 10.492 5.803) 12.585 11.505 ( 7.557 1.489 -6.316) 9.961 ======================= Grid point 226 (104/227) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -7.552 19.223 23.091) 30.979 1.858 ( -7.822 21.539 23.364) 32.726 2.643 ( -18.167 26.423 31.101) 44.671 3.886 ( 6.331 -6.937 -0.579) 9.409 3.923 ( 0.553 -4.252 -2.639) 5.034 4.517 ( -3.113 -3.679 -7.104) 8.584 4.792 ( -6.677 1.360 -1.866) 7.065 5.104 ( 7.499 -17.911 -0.294) 19.419 5.517 ( 3.440 -13.081 -1.700) 13.632 5.783 ( 2.501 -3.990 -2.214) 5.204 5.888 ( 7.037 -3.720 -5.649) 9.761 6.528 ( 5.625 -3.083 6.952) 9.459 6.695 ( 1.221 0.228 4.124) 4.307 6.817 ( -0.775 0.452 -1.784) 1.997 7.135 ( 9.313 1.597 2.681) 9.822 7.235 ( -1.361 -0.887 1.864) 2.472 7.490 ( 1.081 -0.200 -2.343) 2.588 7.627 ( 2.057 2.461 5.781) 6.611 7.708 ( -2.319 4.922 -2.059) 5.818 8.091 ( -6.872 2.485 -7.401) 10.400 8.259 ( 0.752 0.961 -0.271) 1.250 8.475 ( 1.867 -8.175 -1.072) 8.454 8.552 ( 7.398 -3.645 -4.541) 9.415 8.884 ( -2.086 -0.872 -0.395) 2.295 8.976 ( 14.229 -1.865 3.154) 14.693 9.163 ( 4.605 -1.867 -0.273) 4.977 9.748 ( -3.510 6.927 -14.278) 16.253 10.024 ( -16.267 8.871 3.448) 18.847 10.572 ( 4.204 -2.414 4.193) 6.410 11.575 ( 3.368 -4.770 -2.986) 6.559 ======================= Grid point 227 (105/227) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -2.682 12.547 27.753) 30.575 1.714 ( -3.513 15.001 29.291) 33.095 2.534 ( 1.549 15.395 39.960) 42.851 3.913 ( -3.841 -2.812 0.072) 4.761 4.038 ( 2.602 -8.024 -0.759) 8.470 4.477 ( 1.996 0.107 -8.174) 8.415 4.609 ( -8.201 4.386 -4.829) 10.479 5.356 ( 3.644 -13.934 0.719) 14.421 5.616 ( -5.597 -12.062 -2.137) 13.468 5.858 ( 2.250 -3.220 -2.452) 4.631 5.907 ( 0.173 0.751 -5.454) 5.508 6.688 ( 1.584 -9.776 1.663) 10.042 6.719 ( 0.767 1.055 1.140) 1.732 6.812 ( 0.839 -1.357 0.195) 1.608 7.216 ( 0.179 -0.740 1.428) 1.618 7.305 ( 6.376 3.752 2.304) 7.748 7.458 ( -3.731 5.383 0.728) 6.590 7.619 ( -8.575 0.706 0.500) 8.618 7.699 ( 19.598 9.568 -3.653) 22.113 7.981 ( 3.762 0.271 -5.964) 7.056 8.306 ( 4.151 0.174 3.516) 5.443 8.549 ( -3.059 -9.310 -1.473) 9.910 8.696 ( 13.582 -0.453 -6.567) 15.093 8.860 ( 0.374 1.108 -0.913) 1.483 9.215 ( -2.999 -3.752 0.411) 4.821 9.240 ( 15.793 1.481 2.006) 15.989 9.537 ( -9.881 5.240 -8.082) 13.798 9.703 ( -11.482 8.272 -0.488) 14.160 10.622 ( -0.765 0.670 4.222) 4.343 11.661 ( -2.056 -10.178 2.266) 10.628 ======================= Grid point 230 (106/227) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 16.246 -0.000 -1.008) 16.277 3.020 ( 17.060 -0.000 0.882) 17.083 3.729 ( -4.106 0.000 -1.721) 4.452 3.923 ( -3.900 0.000 19.826) 20.206 3.983 ( 23.378 -0.000 -6.381) 24.233 4.033 ( -8.939 0.000 -3.743) 9.691 4.506 ( -12.930 0.000 -2.586) 13.187 4.865 ( 6.845 -0.000 8.608) 10.997 4.958 ( -9.403 0.000 -20.030) 22.127 5.505 ( -5.142 0.000 1.708) 5.419 6.108 ( -1.620 0.000 -5.784) 6.007 6.583 ( -5.888 0.000 7.873) 9.831 6.713 ( -4.276 0.000 -2.659) 5.036 6.831 ( 3.653 -0.000 -5.444) 6.556 7.127 ( 0.310 -0.000 -1.200) 1.240 7.324 ( 0.567 -0.000 -3.791) 3.833 7.477 ( 4.998 -0.000 2.144) 5.438 7.572 ( 5.406 -0.000 -1.358) 5.574 8.032 ( -15.482 0.000 0.574) 15.492 8.044 ( -6.292 0.000 -5.769) 8.536 8.252 ( -10.127 0.000 6.071) 11.808 8.330 ( -0.290 0.000 -3.787) 3.799 8.355 ( -5.407 0.000 -3.848) 6.636 8.768 ( 3.831 -0.000 -5.303) 6.542 8.807 ( 0.705 -0.000 2.063) 2.180 9.047 ( -13.995 0.000 2.842) 14.281 9.771 ( -13.642 0.000 -0.750) 13.663 10.517 ( 18.194 -0.000 12.510) 22.080 10.583 ( 13.906 -0.000 -3.213) 14.272 11.258 ( -4.411 0.000 -9.776) 10.725 ======================= Grid point 231 (107/227) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 12.135 -0.139 -12.120) 17.152 3.254 ( 10.152 -3.863 -1.856) 11.020 3.575 ( -10.842 7.722 4.893) 14.182 3.791 ( -8.145 8.019 2.258) 11.651 4.025 ( 0.717 3.721 8.013) 8.864 4.197 ( 0.205 -2.553 -4.167) 4.891 4.477 ( 16.335 -2.473 -6.754) 17.849 4.747 ( -5.422 -4.181 -15.718) 17.145 5.027 ( 5.956 -3.067 4.927) 8.316 5.393 ( -8.289 3.702 1.140) 9.150 6.004 ( -4.051 3.392 -8.523) 10.028 6.550 ( -5.467 -0.548 9.208) 10.723 6.614 ( -5.444 -0.763 -2.740) 6.142 6.883 ( 5.257 -0.691 -4.813) 7.161 7.130 ( 1.813 1.396 -0.792) 2.422 7.317 ( -0.990 -2.991 -4.279) 5.314 7.533 ( 1.881 3.481 3.679) 5.403 7.678 ( 5.429 -4.795 -0.945) 7.305 7.750 ( -9.891 7.235 0.248) 12.257 7.952 ( -7.860 -5.308 -5.681) 11.056 8.135 ( -4.507 4.231 6.726) 9.135 8.306 ( 0.529 -1.915 -2.789) 3.424 8.351 ( -2.227 -8.128 -1.906) 8.640 8.755 ( -4.339 3.870 0.417) 5.830 8.773 ( -2.153 2.469 -0.500) 3.314 8.931 ( -7.527 -10.505 2.862) 13.237 9.491 ( -15.254 -0.682 -5.690) 16.295 10.757 ( 11.792 5.857 -1.513) 13.253 10.866 ( 14.347 -1.891 4.824) 15.254 11.151 ( 1.239 4.543 -5.418) 7.178 ======================= Grid point 232 (108/227) ======================= q-point: (-0.60 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 4.245 4.324 -17.580) 18.595 3.308 ( -9.787 8.685 -0.150) 13.086 3.346 ( -5.321 8.173 13.038) 16.281 3.718 ( 5.077 0.182 -1.044) 5.187 4.009 ( 0.774 0.636 -7.736) 7.800 4.156 ( -3.614 -7.540 -1.670) 8.527 4.686 ( 0.029 -1.257 -2.876) 3.139 4.830 ( 19.975 -5.062 -0.043) 20.606 5.066 ( -3.679 11.076 -6.082) 13.161 5.235 ( -3.402 -0.985 2.515) 4.344 5.850 ( -4.555 1.822 -10.028) 11.164 6.491 ( -6.240 0.407 5.119) 8.081 6.564 ( -2.756 -2.736 1.637) 4.215 6.943 ( 4.126 -0.562 -3.232) 5.271 7.132 ( -0.164 3.037 -1.346) 3.326 7.279 ( -2.303 -1.168 -4.337) 5.048 7.516 ( -2.064 2.369 5.064) 5.960 7.626 ( -2.952 1.029 3.842) 4.954 7.829 ( 6.604 -4.307 -2.390) 8.239 7.836 ( -4.651 -3.071 -5.242) 7.651 8.156 ( 5.178 1.611 6.422) 8.405 8.312 ( -3.748 -4.245 -0.080) 5.664 8.382 ( -1.805 -8.765 -3.764) 9.708 8.605 ( -6.737 4.735 -1.525) 8.374 8.733 ( -4.564 -2.896 5.514) 7.721 8.955 ( -4.273 -9.569 0.892) 10.518 9.352 ( -0.127 -6.583 -5.840) 8.801 10.731 ( 0.188 8.484 -15.766) 17.905 11.005 ( 5.684 10.018 5.292) 12.675 11.250 ( 10.882 -0.692 3.410) 11.425 ======================= Grid point 233 (109/227) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -2.568 17.308 -8.136) 19.297 2.962 ( -14.827 19.194 3.748) 24.542 3.358 ( 2.323 1.656 10.706) 11.079 3.803 ( 2.079 -3.896 -5.681) 7.196 4.025 ( 3.938 -9.288 -13.403) 16.775 4.244 ( 0.990 -13.329 3.333) 13.775 4.610 ( -12.089 24.448 3.744) 27.530 4.736 ( -2.214 -1.350 -1.207) 2.860 5.150 ( -1.688 -8.913 10.989) 14.250 5.346 ( 21.574 0.786 -12.889) 25.143 5.738 ( -1.991 -1.652 -10.823) 11.128 6.441 ( -3.210 0.415 5.861) 6.695 6.578 ( -0.361 -3.076 2.735) 4.132 6.975 ( 1.399 2.136 -2.595) 3.641 7.047 ( -3.062 2.142 -1.181) 3.919 7.251 ( -0.692 -0.235 -1.936) 2.069 7.500 ( -1.578 0.411 2.163) 2.709 7.625 ( -1.461 -1.212 6.289) 6.570 7.764 ( -0.474 0.384 -3.787) 3.836 7.993 ( 4.965 -8.761 -2.109) 10.288 8.233 ( -5.317 -4.575 0.922) 7.075 8.306 ( 3.183 0.946 9.809) 10.356 8.383 ( -2.156 -2.638 -7.743) 8.460 8.532 ( 3.239 -3.892 -4.134) 6.536 8.760 ( 0.859 -2.563 4.905) 5.600 8.963 ( -3.796 -7.130 -0.987) 8.137 9.534 ( 10.289 -14.870 0.825) 18.101 10.502 ( -3.853 12.043 -18.231) 22.187 10.959 ( -1.108 14.283 4.881) 15.135 11.423 ( 7.716 -1.315 -0.653) 7.855 ======================= Grid point 234 (110/227) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -3.726 23.932 4.754) 24.683 2.579 ( -12.191 23.277 9.579) 27.968 3.466 ( 1.333 0.159 10.824) 10.907 3.802 ( -3.765 -2.979 -11.199) 12.185 3.872 ( -10.442 18.891 1.656) 21.649 4.371 ( 0.023 -10.566 -5.524) 11.923 4.470 ( 5.949 -14.409 1.979) 15.714 4.780 ( 1.185 -1.235 4.038) 4.386 5.196 ( -4.217 -8.040 5.968) 10.865 5.630 ( 15.919 -0.836 -5.308) 16.802 5.700 ( 4.081 -3.216 -13.011) 14.011 6.447 ( -0.568 0.665 8.174) 8.220 6.637 ( 2.428 -1.878 3.205) 4.437 6.904 ( -2.137 4.186 -1.613) 4.969 7.044 ( 1.259 -1.377 0.715) 1.999 7.235 ( -0.089 0.760 0.146) 0.779 7.483 ( -0.507 -0.235 -1.129) 1.259 7.650 ( -1.601 -0.974 6.406) 6.674 7.754 ( 1.831 2.200 -1.193) 3.101 8.060 ( -8.529 -14.717 -1.010) 17.040 8.270 ( 1.062 -7.407 1.168) 7.574 8.315 ( -0.268 2.199 -3.440) 4.092 8.390 ( 6.855 3.952 0.823) 7.955 8.691 ( 11.357 -4.365 -1.050) 12.212 8.844 ( 4.183 -1.351 0.255) 4.403 8.980 ( -0.777 -7.660 -0.219) 7.702 9.873 ( 9.021 -16.629 4.907) 19.545 10.215 ( -4.216 12.924 -17.056) 21.811 10.773 ( -6.785 15.460 2.335) 17.044 11.499 ( 2.078 -2.164 -5.431) 6.205 ======================= Grid point 235 (111/227) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -5.827 22.238 13.147) 26.482 2.283 ( -8.496 24.444 18.547) 31.839 3.225 ( -13.864 33.243 17.969) 40.252 3.727 ( 3.708 -7.449 0.059) 8.321 3.836 ( -0.042 -6.463 -7.324) 9.768 4.442 ( 1.345 -5.915 -4.785) 7.726 4.723 ( -0.839 -19.580 -0.862) 19.617 4.801 ( 1.008 -1.697 4.268) 4.703 5.289 ( 1.988 -11.028 1.741) 11.340 5.703 ( 1.706 -5.061 -5.018) 7.328 5.851 ( 11.399 -0.471 -7.726) 13.778 6.494 ( 0.475 -1.098 7.858) 7.949 6.709 ( 3.232 1.012 3.726) 5.035 6.837 ( -2.110 2.011 -0.445) 2.949 7.134 ( 7.235 -1.511 4.475) 8.640 7.231 ( -1.112 -0.254 1.624) 1.984 7.476 ( -0.011 -0.853 -2.899) 3.022 7.673 ( 1.204 2.007 5.700) 6.162 7.759 ( 2.516 2.312 -0.695) 3.487 8.040 ( -8.393 -12.350 -2.522) 15.144 8.254 ( -0.617 -0.905 -2.064) 2.336 8.348 ( 1.930 -0.483 -2.428) 3.139 8.529 ( 11.935 -0.022 -1.526) 12.032 8.862 ( -0.877 -1.738 0.588) 2.033 8.929 ( 9.799 -3.200 5.350) 11.614 9.106 ( 9.728 -4.502 -4.204) 11.515 9.900 ( -5.527 8.306 -13.925) 17.131 10.112 ( -5.066 -1.677 3.826) 6.566 10.580 ( -0.646 6.499 0.702) 6.568 11.478 ( -4.201 -5.807 -7.068) 10.066 ======================= Grid point 236 (112/227) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -2.141 18.228 20.542) 27.547 2.028 ( -11.669 20.210 25.715) 34.726 2.954 ( 3.403 28.813 20.625) 35.597 3.815 ( -3.487 -8.123 -3.723) 9.592 3.895 ( 3.674 -6.365 1.648) 7.532 4.467 ( 0.793 -3.262 -5.782) 6.686 4.669 ( -5.689 3.010 -0.110) 6.437 5.007 ( 0.732 -20.968 0.851) 20.998 5.429 ( 1.620 -9.101 0.378) 9.252 5.757 ( 0.790 -7.214 -5.942) 9.379 5.925 ( 3.339 1.298 -4.072) 5.423 6.570 ( 1.456 -3.924 4.680) 6.279 6.751 ( 1.705 2.428 1.390) 3.276 6.804 ( 0.050 0.646 1.535) 1.666 7.198 ( -3.013 -1.237 2.445) 4.073 7.329 ( 5.849 -2.946 7.134) 9.684 7.446 ( -2.635 -0.383 -3.596) 4.475 7.681 ( -2.126 4.017 4.136) 6.145 7.836 ( 12.885 2.832 -2.762) 13.479 8.004 ( 1.203 -0.395 -5.565) 5.708 8.295 ( 3.346 -3.824 0.927) 5.165 8.374 ( 1.582 -3.833 -3.726) 5.575 8.687 ( 7.927 -0.339 -3.714) 8.760 8.861 ( 0.976 -1.363 0.675) 1.807 9.103 ( -0.830 -6.405 6.720) 9.321 9.299 ( 16.772 2.412 -4.657) 17.573 9.662 ( -5.773 7.631 -12.885) 16.050 9.885 ( -14.117 10.525 3.340) 17.922 10.613 ( 1.718 -1.401 -0.400) 2.253 11.435 ( -7.713 -13.225 -1.895) 15.427 ======================= Grid point 237 (113/227) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -0.367 14.111 23.963) 27.811 2.009 ( 3.879 6.773 30.583) 31.563 2.992 ( 14.205 19.161 16.369) 28.928 3.785 ( -4.360 -5.981 -4.682) 8.758 4.006 ( 0.981 -4.443 3.480) 5.728 4.462 ( -4.101 -4.432 -4.198) 7.354 4.563 ( 1.943 8.510 -0.973) 8.783 5.140 ( -9.032 -19.579 -0.159) 21.562 5.483 ( -1.938 -3.035 0.072) 3.602 5.722 ( -6.359 -3.493 -8.766) 11.379 5.966 ( 4.611 -1.677 -1.371) 5.095 6.638 ( -0.169 -3.523 2.242) 4.179 6.755 ( 1.753 0.643 -0.113) 1.871 6.841 ( 2.235 -0.312 2.038) 3.041 7.205 ( -0.689 -4.767 1.871) 5.167 7.348 ( -8.315 -1.463 -2.383) 8.773 7.401 ( 1.006 3.653 -0.347) 3.805 7.588 ( -1.603 10.120 3.185) 10.730 8.020 ( 6.343 -3.633 -2.479) 7.719 8.074 ( 15.051 4.628 -5.721) 16.753 8.406 ( 6.133 0.726 1.194) 6.290 8.436 ( 1.768 -8.822 -2.757) 9.410 8.727 ( -1.310 -2.535 -1.066) 3.047 8.919 ( -0.346 -2.352 -1.766) 2.961 9.074 ( -8.336 -1.723 -1.224) 8.600 9.420 ( -1.335 5.850 -9.459) 11.202 9.537 ( 13.217 5.544 3.166) 14.678 9.654 ( -4.278 8.967 2.916) 10.354 10.613 ( -1.178 -0.903 -1.601) 2.184 11.452 ( -9.072 -16.850 2.430) 19.291 ======================= Grid point 241 (114/227) ======================= q-point: (-0.70 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 8.025 -0.000 -16.090) 17.980 3.347 ( 3.628 -0.000 0.706) 3.696 3.460 ( -12.503 0.000 9.203) 15.525 3.730 ( -0.834 0.000 -2.423) 2.563 4.022 ( -6.236 0.000 -9.831) 11.642 4.078 ( -6.730 0.000 -2.739) 7.266 4.679 ( 3.340 -0.000 3.712) 4.993 4.767 ( 18.684 -0.000 -0.077) 18.685 5.141 ( 11.043 -0.000 -5.026) 12.133 5.274 ( -9.859 0.000 1.018) 9.911 5.868 ( -7.307 0.000 -12.109) 14.143 6.505 ( -6.777 0.000 9.662) 11.802 6.526 ( -2.752 0.000 -2.137) 3.485 6.935 ( 4.176 -0.000 -3.139) 5.224 7.175 ( 2.906 -0.000 -0.598) 2.967 7.248 ( -3.383 0.000 -3.843) 5.120 7.574 ( -3.092 0.000 7.064) 7.711 7.619 ( -9.113 0.000 3.662) 9.821 7.741 ( 6.837 -0.000 -3.038) 7.482 7.840 ( -0.329 0.000 -8.909) 8.915 8.187 ( 2.816 -0.000 9.842) 10.237 8.268 ( 1.847 -0.000 -4.248) 4.632 8.277 ( -5.961 0.000 0.846) 6.021 8.674 ( -11.314 0.000 0.084) 11.314 8.712 ( -3.412 0.000 5.783) 6.714 8.832 ( 0.110 -0.000 -0.644) 0.654 9.293 ( -2.073 0.000 -9.567) 9.789 10.812 ( 0.455 -0.000 -16.596) 16.602 11.108 ( 10.191 -0.000 7.348) 12.564 11.234 ( 6.280 -0.000 3.019) 6.968 ======================= Grid point 243 (115/227) ======================= q-point: (-0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 6.729 6.475 -10.316) 13.915 3.262 ( -10.668 12.120 7.339) 17.736 3.381 ( -2.060 0.073 5.659) 6.023 3.732 ( -2.169 -2.819 -8.354) 9.080 3.875 ( 1.637 -4.216 -13.338) 14.084 4.011 ( -4.686 -10.140 -0.130) 11.171 4.759 ( 0.651 2.564 6.624) 7.132 4.962 ( -0.714 1.902 7.904) 8.161 5.084 ( -7.213 8.944 6.233) 13.072 5.357 ( 22.132 0.335 -13.457) 25.904 5.686 ( -5.878 -3.451 -14.869) 16.357 6.452 ( -5.051 0.656 9.521) 10.798 6.523 ( 0.927 -2.333 0.880) 2.660 6.977 ( 2.384 -0.538 -1.294) 2.765 7.125 ( -4.796 4.610 -2.246) 7.021 7.225 ( 0.059 -2.575 -0.947) 2.744 7.518 ( -3.671 1.864 4.814) 6.334 7.579 ( -4.461 -3.292 6.222) 8.334 7.781 ( 0.948 1.301 -6.411) 6.610 7.860 ( 4.642 -4.784 -2.769) 7.218 8.144 ( -11.580 -2.875 4.502) 12.753 8.325 ( 6.335 -2.535 -6.000) 9.086 8.343 ( 9.744 1.153 8.672) 13.095 8.521 ( -4.818 1.299 -2.825) 5.734 8.736 ( 1.788 -0.215 5.311) 5.608 8.845 ( -1.528 -4.763 -1.328) 5.175 9.338 ( 9.315 -5.733 -4.828) 11.956 10.657 ( -4.145 4.419 -18.303) 19.280 11.187 ( 1.692 9.789 2.888) 10.346 11.362 ( 3.837 -5.013 1.922) 6.599 ======================= Grid point 244 (116/227) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 2.539 20.151 0.104) 20.311 2.979 ( -9.839 19.625 8.706) 23.616 3.405 ( 0.342 -3.221 4.699) 5.707 3.643 ( -4.425 -10.515 -16.065) 19.704 3.994 ( 6.335 -7.269 -0.590) 9.660 4.113 ( -0.884 -16.829 3.268) 17.166 4.552 ( -13.711 17.212 -4.173) 22.397 4.889 ( 3.236 13.148 10.239) 16.976 5.062 ( -5.404 -6.001 7.692) 11.152 5.585 ( 0.611 -6.075 -5.984) 8.549 5.655 ( 18.443 -0.747 -18.153) 25.888 6.453 ( -2.372 -0.055 11.733) 11.971 6.600 ( 5.117 -1.762 2.058) 5.790 6.986 ( -3.189 4.271 -0.748) 5.383 7.020 ( 0.243 -0.880 0.576) 1.079 7.235 ( -1.097 -1.240 1.001) 1.934 7.478 ( -2.554 -0.287 0.727) 2.671 7.587 ( -3.330 -5.096 5.397) 8.135 7.781 ( 0.446 -3.493 -1.863) 3.984 7.868 ( -5.199 -0.599 0.419) 5.251 8.132 ( 1.055 -7.188 2.542) 7.697 8.376 ( 3.121 4.314 -3.381) 6.307 8.465 ( 6.350 3.476 0.103) 7.240 8.605 ( 13.629 -4.797 0.527) 14.458 8.817 ( 4.083 -1.691 0.166) 4.423 8.852 ( -1.280 -5.397 0.386) 5.560 9.598 ( 11.904 -11.792 2.480) 16.938 10.416 ( -5.489 8.122 -17.840) 20.356 11.044 ( -6.262 13.554 -0.582) 14.943 11.425 ( -2.168 -5.974 -3.702) 7.355 ======================= Grid point 245 (117/227) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -6.825 22.827 3.557) 24.090 2.742 ( -5.425 25.109 16.483) 30.522 3.472 ( -3.382 -6.381 4.629) 8.578 3.647 ( 3.010 -9.622 -7.863) 12.785 3.952 ( -6.140 23.657 1.220) 24.471 4.263 ( -3.180 -15.788 3.109) 16.402 4.371 ( 4.373 -11.332 -4.568) 12.977 4.876 ( 0.775 9.032 7.493) 11.762 5.107 ( -0.599 -9.438 3.649) 10.137 5.596 ( 0.831 -7.013 -10.406) 12.577 5.854 ( 12.914 0.435 -8.177) 15.291 6.485 ( -1.777 0.249 10.691) 10.840 6.722 ( 6.788 0.339 2.834) 7.364 6.890 ( -3.485 3.397 1.202) 5.013 7.093 ( 5.288 -2.463 3.544) 6.825 7.213 ( -4.902 -1.800 2.860) 5.954 7.463 ( 0.074 -0.756 -1.741) 1.900 7.643 ( 0.080 -9.238 2.675) 9.618 7.768 ( -6.746 -3.797 2.153) 8.035 7.852 ( 4.575 1.904 1.105) 5.077 8.216 ( 1.489 -3.974 -2.308) 4.831 8.375 ( 3.167 2.618 -1.340) 4.322 8.570 ( 11.482 4.121 -1.399) 12.279 8.812 ( -1.857 -3.907 -1.494) 4.577 8.866 ( 7.405 -2.893 6.813) 10.470 9.012 ( 13.697 -5.626 -2.811) 15.072 9.862 ( 1.805 -10.749 3.192) 11.358 10.170 ( -2.473 8.882 -13.606) 16.435 10.777 ( -8.191 12.609 -3.906) 15.535 11.360 ( -8.933 -7.161 -8.465) 14.239 ======================= Grid point 246 (118/227) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -6.035 17.099 11.517) 21.481 2.465 ( -11.973 26.084 18.577) 34.189 3.441 ( 0.624 12.566 6.941) 14.369 3.705 ( -1.661 4.736 -8.758) 10.094 3.803 ( 7.200 -2.194 5.997) 9.623 4.315 ( -6.690 -12.733 -1.358) 14.447 4.583 ( 4.317 -17.150 -1.525) 17.751 4.832 ( -1.315 7.666 6.085) 9.875 5.258 ( 4.651 -10.415 3.042) 11.804 5.616 ( 0.348 -7.773 -11.393) 13.796 5.950 ( 4.528 1.301 -3.861) 6.092 6.525 ( 0.592 -1.052 7.187) 7.287 6.801 ( 2.065 2.833 0.701) 3.575 6.840 ( 0.193 2.971 4.397) 5.310 7.149 ( -7.239 -4.150 2.965) 8.855 7.260 ( 6.958 -2.822 4.728) 8.873 7.452 ( -1.026 -0.201 -1.052) 1.483 7.681 ( -7.658 -8.914 0.596) 11.767 7.848 ( 13.281 0.631 3.093) 13.651 7.923 ( 3.843 -1.696 0.042) 4.201 8.249 ( 2.312 -0.991 -2.200) 3.342 8.395 ( 4.626 2.686 -4.377) 6.912 8.706 ( 7.391 2.893 -2.408) 8.294 8.804 ( -0.109 -4.994 0.162) 4.998 9.008 ( 0.654 -3.406 8.034) 8.750 9.291 ( 15.979 -3.185 -2.691) 16.514 9.800 ( -5.010 4.715 -10.415) 12.482 10.021 ( -9.730 4.921 1.933) 11.074 10.617 ( 1.237 3.040 -5.631) 6.518 11.210 ( -12.810 -10.891 -7.885) 18.571 ======================= Grid point 247 (119/227) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -3.191 7.892 23.394) 24.894 2.174 ( -5.754 21.722 17.344) 28.386 3.409 ( 13.701 23.717 2.914) 27.544 3.646 ( -2.906 -7.972 -8.504) 12.013 3.947 ( 2.870 -1.595 6.462) 7.248 4.303 ( -7.037 -12.258 -3.003) 14.450 4.752 ( 4.746 3.596 2.535) 6.472 4.779 ( -6.947 -11.225 3.370) 13.624 5.423 ( 3.739 -4.406 2.538) 6.312 5.604 ( -3.195 -8.407 -11.867) 14.890 5.953 ( 0.492 0.295 -2.762) 2.821 6.597 ( 1.883 -1.315 4.803) 5.324 6.786 ( 0.679 2.559 0.722) 2.744 6.858 ( 1.130 2.149 2.897) 3.780 7.105 ( -4.831 -5.334 2.751) 7.704 7.338 ( -1.224 0.485 -1.147) 1.746 7.440 ( -0.666 -0.028 0.559) 0.869 7.673 ( -0.656 -1.854 3.896) 4.364 7.976 ( 3.501 -0.895 -2.510) 4.400 8.100 ( 11.955 -2.906 1.498) 12.394 8.287 ( 2.020 -2.976 -2.346) 4.295 8.447 ( 7.221 2.011 -2.851) 8.020 8.696 ( -2.021 -0.946 -2.617) 3.439 8.884 ( -0.912 -1.577 0.284) 1.844 9.031 ( -3.184 -2.467 1.561) 4.320 9.444 ( -0.072 -1.373 -7.952) 8.070 9.687 ( 9.357 9.055 -2.276) 13.219 9.831 ( -5.995 7.650 5.141) 10.995 10.594 ( 0.155 -1.050 -8.313) 8.380 11.124 ( -10.758 -17.062 -0.858) 20.189 ======================= Grid point 248 (120/227) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 2.945 10.288 20.405) 23.041 2.295 ( 10.284 0.626 21.739) 24.057 3.465 ( 16.820 17.941 -3.389) 24.825 3.649 ( 1.019 -5.768 -7.420) 9.454 3.989 ( -2.581 -4.317 0.309) 5.040 4.264 ( -10.163 -9.259 -0.769) 13.770 4.734 ( 0.466 5.984 7.715) 9.775 4.823 ( -5.996 -9.014 1.458) 10.924 5.437 ( -2.738 1.769 -5.885) 6.727 5.554 ( -3.868 -4.472 -4.250) 7.282 5.961 ( 0.450 -5.033 -4.237) 6.594 6.636 ( -0.421 0.314 3.411) 3.451 6.796 ( 0.895 0.958 1.972) 2.368 6.872 ( 1.178 0.082 0.305) 1.219 7.130 ( -1.129 -5.332 1.450) 5.640 7.266 ( -2.289 2.677 -1.894) 3.999 7.411 ( -0.681 0.434 -3.630) 3.718 7.698 ( 1.697 6.230 4.836) 8.067 7.989 ( -1.481 -1.893 -3.962) 4.634 8.257 ( 6.046 1.111 -2.396) 6.598 8.381 ( 3.240 -10.513 0.672) 11.021 8.514 ( 1.674 0.832 1.559) 2.434 8.657 ( -3.886 -1.807 -1.595) 4.573 8.723 ( -13.292 0.904 -4.542) 14.075 8.979 ( -4.094 2.778 -5.390) 7.317 9.408 ( 0.922 -2.553 -4.305) 5.089 9.705 ( 1.994 9.080 6.073) 11.104 9.886 ( 13.754 5.126 6.076) 15.886 10.565 ( 1.181 -1.317 -9.262) 9.429 11.133 ( -9.957 -18.999 0.670) 21.461 ======================= Grid point 253 (121/227) ======================= q-point: (-0.60 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 10.711 -0.000 1.510) 10.816 3.228 ( -12.327 0.000 18.664) 22.368 3.327 ( -3.795 0.000 -16.986) 17.405 3.548 ( -1.751 0.000 -8.165) 8.350 3.847 ( -6.563 0.000 0.646) 6.595 3.961 ( 9.006 -0.000 0.097) 9.006 4.714 ( -8.930 0.000 0.554) 8.947 4.964 ( -5.091 0.000 6.317) 8.113 5.149 ( 0.483 -0.000 10.990) 11.001 5.461 ( -4.947 0.000 -13.676) 14.543 5.652 ( 21.080 -0.000 -15.736) 26.306 6.450 ( -3.382 0.000 14.656) 15.041 6.583 ( 6.664 -0.000 1.125) 6.758 7.006 ( 2.084 -0.000 0.823) 2.240 7.043 ( -5.917 0.000 -1.238) 6.045 7.207 ( -2.117 0.000 2.114) 2.992 7.475 ( -5.558 0.000 3.740) 6.700 7.525 ( -4.519 0.000 2.872) 5.354 7.733 ( -1.754 0.000 -2.789) 3.295 7.906 ( 3.302 -0.000 -0.368) 3.323 8.046 ( -0.821 0.000 4.625) 4.698 8.454 ( -1.725 0.000 -2.983) 3.445 8.472 ( 15.448 -0.000 -4.473) 16.082 8.554 ( 10.985 -0.000 5.178) 12.144 8.792 ( -1.014 0.000 -3.090) 3.252 8.804 ( 3.281 -0.000 3.853) 5.061 9.485 ( 13.021 -0.000 0.965) 13.056 10.493 ( -5.714 0.000 -17.917) 18.806 11.228 ( -4.586 0.000 -4.514) 6.434 11.311 ( -5.142 0.000 -0.230) 5.148 ======================= Grid point 255 (122/227) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( -8.658 21.170 -1.233) 22.905 3.148 ( -0.984 15.545 17.775) 23.634 3.247 ( -5.521 -16.812 -6.287) 18.779 3.552 ( 6.530 1.678 -1.520) 6.912 3.881 ( -2.476 -18.851 3.011) 19.249 4.102 ( 5.146 -2.673 0.802) 5.854 4.508 ( -6.907 13.999 -2.577) 15.821 4.928 ( -4.736 -8.189 0.410) 9.469 5.119 ( 0.950 14.867 6.933) 16.432 5.426 ( 0.381 -11.569 -11.442) 16.276 5.860 ( 13.504 0.228 -9.111) 16.291 6.500 ( -1.475 0.984 15.487) 15.589 6.723 ( 9.093 -0.063 2.225) 9.361 6.938 ( -5.380 1.182 0.838) 5.571 7.069 ( 4.263 0.370 2.958) 5.202 7.167 ( -6.530 -2.743 4.152) 8.210 7.420 ( -4.471 -5.074 1.271) 6.881 7.473 ( -4.179 -2.668 -0.121) 4.960 7.758 ( 4.493 0.466 3.675) 5.823 7.926 ( 2.794 3.662 -0.018) 4.606 8.132 ( 4.369 -3.940 0.710) 5.926 8.428 ( 2.049 2.314 -1.971) 3.666 8.653 ( 9.414 3.951 -2.090) 10.421 8.749 ( 3.056 -1.713 -1.553) 3.832 8.825 ( 11.008 -2.186 3.559) 11.773 8.905 ( 6.967 -4.736 1.975) 8.652 9.699 ( 6.482 -5.092 4.259) 9.278 10.301 ( -2.877 4.114 -16.217) 16.976 10.992 ( -11.194 9.862 -8.435) 17.138 11.218 ( -10.614 -7.738 -6.499) 14.655 ======================= Grid point 256 (123/227) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -9.216 17.899 0.869) 20.151 2.911 ( -15.202 18.344 13.062) 27.170 3.339 ( 1.601 -7.836 0.404) 8.008 3.730 ( 11.081 -1.906 5.762) 12.634 4.014 ( -8.104 -16.337 2.244) 18.374 4.103 ( 2.586 13.677 -1.877) 14.045 4.355 ( 1.527 -0.991 -4.008) 4.402 4.985 ( -0.312 -6.220 0.697) 6.266 5.077 ( 4.237 4.219 5.367) 8.035 5.474 ( 1.254 -8.280 -10.949) 13.785 5.969 ( 5.460 0.732 -4.619) 7.189 6.539 ( -0.405 2.656 11.426) 11.738 6.846 ( 1.639 1.431 0.348) 2.203 6.885 ( 1.318 1.468 5.470) 5.815 7.083 ( -5.699 -2.141 3.563) 7.054 7.214 ( 6.418 -2.580 4.601) 8.308 7.429 ( -3.923 -7.284 -0.057) 8.274 7.443 ( -3.605 -6.554 0.247) 7.484 7.896 ( 10.947 2.994 5.514) 12.618 7.948 ( 3.931 2.478 -1.002) 4.754 8.218 ( 3.247 -2.256 -1.203) 4.133 8.446 ( 4.165 2.946 -2.452) 5.660 8.696 ( -2.808 -5.647 -2.123) 6.654 8.794 ( 9.433 6.168 -2.907) 11.639 8.974 ( 1.917 -0.742 9.259) 9.485 9.189 ( 14.847 -7.651 1.356) 16.758 9.766 ( -5.052 -5.352 0.433) 7.373 10.150 ( -2.626 8.011 -9.099) 12.404 10.698 ( -7.215 4.150 -12.378) 14.917 11.047 ( -12.209 -6.515 -9.255) 16.648 ======================= Grid point 257 (124/227) ======================= q-point: (-0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -5.912 11.572 9.824) 16.290 2.572 ( -11.614 19.526 11.452) 25.442 3.433 ( 1.808 -8.617 -3.793) 9.587 3.869 ( 6.698 14.484 -1.129) 15.997 3.962 ( 2.418 4.063 5.891) 7.553 4.066 ( -4.884 -7.874 -3.698) 9.976 4.433 ( -2.976 -15.992 -1.081) 16.302 4.982 ( 2.830 9.752 6.224) 11.910 5.258 ( 6.410 -12.452 1.168) 14.053 5.487 ( 0.721 -4.217 -10.259) 11.115 5.969 ( -1.317 1.129 -3.095) 3.548 6.593 ( 2.600 1.356 8.213) 8.720 6.816 ( -3.064 -0.291 2.631) 4.049 6.923 ( 1.865 4.796 2.974) 5.944 7.045 ( -2.866 -0.707 2.346) 3.770 7.346 ( 4.102 -0.877 1.031) 4.320 7.398 ( -4.606 -3.933 -0.149) 6.059 7.530 ( 2.118 -10.527 4.071) 11.483 7.981 ( 3.595 1.151 -2.692) 4.636 8.077 ( 9.759 1.359 3.774) 10.551 8.269 ( 2.100 -0.631 -1.769) 2.818 8.476 ( 3.224 1.254 -0.627) 3.516 8.672 ( -2.625 -2.689 -2.496) 4.512 8.871 ( 3.941 1.106 -2.925) 5.031 9.010 ( -2.556 0.216 5.409) 5.986 9.400 ( 1.683 -3.474 -2.614) 4.662 9.760 ( 3.282 -3.881 0.508) 5.108 9.952 ( -6.042 8.562 0.699) 10.503 10.547 ( -5.127 -5.468 -16.161) 17.815 10.913 ( -4.694 -4.312 -4.959) 8.076 ======================= Grid point 258 (125/227) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -1.945 6.008 19.004) 20.026 2.405 ( 4.576 12.177 8.049) 15.297 3.503 ( 1.890 -7.700 -9.272) 12.199 3.843 ( 10.361 15.096 -1.244) 18.352 3.917 ( -5.266 0.228 -5.337) 7.501 4.073 ( -4.978 -7.921 1.105) 9.420 4.495 ( -8.394 -16.970 0.669) 18.944 4.997 ( 5.799 11.668 9.106) 15.896 5.411 ( -0.633 -9.763 -10.557) 14.393 5.486 ( 3.310 1.596 1.305) 3.899 5.896 ( -4.263 -1.749 -4.651) 6.547 6.661 ( 1.723 2.106 6.303) 6.865 6.792 ( -3.436 -2.129 2.312) 4.656 6.916 ( 3.009 5.594 0.762) 6.397 7.048 ( 0.761 -2.493 2.056) 3.320 7.328 ( -2.621 1.837 -0.471) 3.235 7.393 ( -1.031 -0.918 -1.863) 2.319 7.697 ( 3.939 -6.055 5.365) 8.998 7.992 ( 1.319 1.567 -4.500) 4.944 8.228 ( 5.347 -4.255 1.925) 7.099 8.266 ( -0.642 -0.490 -1.660) 1.846 8.489 ( -4.285 -2.810 3.635) 6.283 8.641 ( -2.910 -0.446 -1.983) 3.550 8.786 ( -6.060 5.428 -4.409) 9.254 8.991 ( -1.503 -0.995 -5.367) 5.662 9.356 ( -0.838 -2.929 -6.619) 7.286 9.847 ( -4.144 4.837 9.877) 11.753 9.946 ( 11.798 0.880 6.014) 13.272 10.469 ( -1.239 -11.102 -16.052) 19.557 10.888 ( -2.299 -3.879 -1.977) 4.924 ======================= Grid point 259 (126/227) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 8.738 4.985 12.514) 16.056 2.595 ( 15.646 -2.351 12.833) 20.371 3.513 ( -0.599 -2.301 -10.356) 10.625 3.785 ( -9.363 -8.677 -9.878) 16.141 3.878 ( 1.787 2.312 -0.336) 2.941 4.067 ( 5.066 3.287 -2.069) 6.384 4.492 ( -9.302 -12.852 0.708) 15.881 5.036 ( 4.686 9.815 8.394) 13.739 5.348 ( -2.510 1.850 -10.627) 11.075 5.493 ( -3.184 1.966 1.637) 4.085 5.856 ( -1.910 -7.452 -5.591) 9.510 6.664 ( -1.843 3.727 5.655) 7.019 6.766 ( -3.170 -2.585 -0.605) 4.135 6.932 ( 2.879 3.869 0.495) 4.848 7.131 ( 3.745 -2.139 2.508) 4.989 7.266 ( -0.508 3.409 -0.789) 3.536 7.359 ( -1.348 -2.335 -4.478) 5.227 7.776 ( -0.106 1.690 3.107) 3.538 7.936 ( -2.852 2.942 -3.263) 5.238 8.189 ( -8.528 -5.687 -2.717) 10.604 8.383 ( 3.013 -1.539 -2.400) 4.148 8.433 ( -7.725 -3.067 7.442) 11.156 8.565 ( -1.733 -2.138 -3.705) 4.615 8.656 ( -0.836 5.075 -1.875) 5.474 8.903 ( -2.878 1.437 -9.299) 9.840 9.379 ( 0.429 -2.313 -2.319) 3.303 9.799 ( -4.400 2.855 9.930) 11.230 10.152 ( 9.629 2.006 11.447) 15.092 10.527 ( 6.652 -9.849 -16.435) 20.282 10.878 ( -2.862 -6.378 -1.977) 7.265 ======================= Grid point 265 (127/227) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -5.034 0.000 -27.221) 27.682 2.900 ( -21.940 -0.000 26.021) 34.036 3.444 ( 5.123 0.000 15.410) 16.239 3.630 ( 0.062 -0.000 1.261) 1.262 3.804 ( 5.861 -0.000 3.836) 7.005 4.147 ( 2.403 0.000 -0.976) 2.594 4.547 ( 1.490 0.000 -0.127) 1.496 4.766 ( -4.171 -0.000 -8.419) 9.395 5.276 ( 0.905 0.000 9.028) 9.073 5.307 ( 4.278 -0.000 -13.770) 14.420 5.976 ( 5.923 0.000 -5.227) 7.900 6.583 ( -0.541 -0.000 15.653) 15.662 6.843 ( -2.885 0.000 -1.473) 3.239 6.900 ( 6.378 0.000 5.059) 8.141 7.071 ( -5.455 0.000 5.460) 7.718 7.182 ( 5.119 0.000 4.181) 6.610 7.311 ( -3.201 0.000 0.695) 3.275 7.424 ( -2.558 0.000 -0.303) 2.576 7.927 ( 11.151 0.000 5.824) 12.581 7.977 ( 2.624 0.000 -1.877) 3.227 8.191 ( 4.260 0.000 0.114) 4.261 8.486 ( 4.889 0.000 -1.259) 5.049 8.631 ( -3.825 -0.000 -4.088) 5.599 8.885 ( 8.624 0.000 -5.974) 10.491 8.970 ( 1.942 -0.000 9.602) 9.796 9.076 ( 15.138 0.000 6.567) 16.501 9.708 ( -4.347 0.000 1.827) 4.716 10.236 ( 0.580 0.000 -11.645) 11.659 10.735 ( -16.425 0.000 -17.295) 23.852 10.986 ( -7.179 0.000 -6.768) 9.866 ======================= Grid point 267 (128/227) ======================= q-point: (-0.40 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -6.471 12.868 -4.672) 15.142 2.746 ( -15.471 -3.091 7.971) 17.676 3.430 ( 1.714 11.054 2.958) 11.570 3.733 ( -5.539 -17.534 3.676) 18.752 3.938 ( 4.138 0.908 7.213) 8.365 4.178 ( -0.434 -4.822 -1.884) 5.195 4.434 ( 3.965 21.886 -6.196) 23.089 4.849 ( 3.153 -19.992 -3.566) 20.551 5.255 ( 5.410 8.127 -2.643) 10.114 5.404 ( 3.553 -5.309 -0.968) 6.461 5.986 ( -1.308 0.547 -3.582) 3.852 6.650 ( 1.754 4.021 12.421) 13.172 6.780 ( -5.333 -2.867 1.757) 6.304 7.010 ( 3.794 3.908 3.741) 6.608 7.052 ( -0.560 0.088 3.444) 3.490 7.239 ( -0.225 -6.373 1.171) 6.484 7.374 ( 0.573 0.237 0.640) 0.891 7.403 ( 4.375 -3.376 3.616) 6.605 8.004 ( 3.317 0.889 -3.260) 4.735 8.110 ( 7.757 1.223 3.780) 8.716 8.261 ( 4.090 -0.042 0.279) 4.100 8.509 ( -2.074 2.770 -1.129) 3.640 8.596 ( 0.579 -4.702 -1.007) 4.843 8.927 ( 4.611 3.546 -7.268) 9.309 9.021 ( -2.321 0.572 7.152) 7.541 9.315 ( 3.641 -4.756 6.844) 9.095 9.654 ( -3.048 -4.159 2.061) 5.553 10.110 ( -5.386 6.748 -6.610) 10.874 10.420 ( -11.226 -6.100 -18.873) 22.791 10.910 ( 2.758 1.212 -7.855) 8.413 ======================= Grid point 268 (129/227) ======================= q-point: (-0.30 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -0.918 8.334 3.732) 9.177 2.599 ( -3.820 5.416 4.622) 8.080 3.413 ( 2.798 0.410 -3.696) 4.654 3.751 ( -9.490 -10.337 -1.103) 14.075 3.941 ( -7.091 -1.083 2.338) 7.545 4.199 ( -7.028 -14.056 -0.416) 15.720 4.323 ( 13.491 23.308 -5.161) 27.421 5.070 ( 5.378 -10.579 2.189) 12.067 5.263 ( 3.898 0.641 -8.339) 9.227 5.506 ( 5.723 0.130 3.098) 6.509 5.888 ( -7.210 0.356 -4.374) 8.440 6.695 ( -0.008 0.352 3.240) 3.260 6.759 ( -2.082 0.477 9.005) 9.255 7.037 ( 2.356 5.232 0.369) 5.750 7.043 ( 1.265 1.750 2.844) 3.571 7.282 ( -2.648 -3.681 -0.442) 4.556 7.404 ( 3.546 -1.317 1.338) 4.012 7.566 ( 5.990 -4.903 4.847) 9.133 8.025 ( 3.387 1.584 -5.036) 6.272 8.205 ( 4.266 0.315 1.397) 4.500 8.271 ( -2.886 2.170 -0.279) 3.622 8.435 ( -5.997 -2.920 1.825) 6.915 8.615 ( -5.133 -2.601 2.368) 6.223 8.902 ( 2.714 6.632 -7.487) 10.364 8.966 ( -5.223 -0.878 -2.412) 5.820 9.297 ( -6.120 -3.954 -6.097) 9.501 9.769 ( 1.989 -10.729 10.902) 15.425 9.993 ( -0.569 3.361 1.344) 3.665 10.283 ( -1.948 -5.887 -12.623) 14.064 10.922 ( 6.279 3.906 -8.558) 11.310 ======================= Grid point 269 (130/227) ======================= q-point: (-0.20 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 5.675 2.405 8.231) 10.283 2.627 ( 10.575 4.132 2.524) 11.630 3.453 ( 3.066 -3.771 -7.053) 8.566 3.603 ( -16.118 -8.387 -7.448) 19.636 3.820 ( -10.136 -3.758 0.364) 10.816 4.227 ( -4.832 -14.131 0.234) 14.936 4.350 ( 16.120 19.581 -3.037) 25.544 5.170 ( 0.067 4.507 3.535) 5.729 5.288 ( 2.699 -7.218 -10.050) 12.664 5.580 ( 1.445 5.133 2.734) 5.992 5.748 ( -5.919 -4.103 -4.609) 8.551 6.698 ( -1.781 -3.476 -0.571) 3.947 6.757 ( -2.679 4.958 8.287) 10.022 7.016 ( 1.956 3.652 -0.787) 4.216 7.112 ( 6.107 2.316 3.526) 7.423 7.263 ( -1.741 -2.875 -1.179) 3.562 7.420 ( 0.076 6.531 -1.396) 6.679 7.717 ( 1.690 -6.500 4.052) 7.844 8.005 ( -0.969 4.350 -3.263) 5.524 8.114 ( -9.159 -1.864 -2.999) 9.816 8.324 ( 3.043 -3.456 6.657) 8.095 8.401 ( -1.807 -1.322 -1.006) 2.455 8.527 ( -6.916 -2.639 -0.593) 7.427 8.775 ( -4.174 7.557 -3.157) 9.193 8.889 ( -2.030 -2.660 -10.581) 11.098 9.279 ( 1.533 -7.413 -7.430) 10.607 9.866 ( -6.818 3.096 17.539) 19.071 10.090 ( 6.778 -14.317 -1.110) 15.879 10.303 ( 3.491 -3.051 -3.686) 5.923 10.924 ( 6.406 6.218 -9.567) 13.086 ======================= Grid point 270 (131/227) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 11.270 -1.371 7.457) 13.583 2.828 ( 9.146 -4.563 -0.655) 10.242 3.367 ( -14.341 -9.229 -7.255) 18.533 3.456 ( -5.352 -4.929 -4.112) 8.357 3.761 ( 0.753 -4.767 -3.091) 5.732 4.299 ( -1.464 -10.052 0.959) 10.204 4.436 ( 18.525 16.493 -3.580) 25.060 5.062 ( -9.081 0.893 -4.927) 10.370 5.293 ( -1.833 0.706 -6.424) 6.718 5.496 ( -3.671 6.810 4.645) 9.024 5.755 ( 1.845 -5.023 -5.164) 7.436 6.681 ( -3.515 1.527 1.227) 4.024 6.693 ( -3.695 0.464 2.733) 4.620 7.008 ( 2.086 5.108 -1.557) 5.733 7.197 ( 1.594 -1.054 3.176) 3.707 7.286 ( -3.921 2.368 -4.970) 6.759 7.311 ( 4.084 1.267 0.600) 4.318 7.741 ( -4.696 -2.692 0.685) 5.456 7.890 ( -5.871 1.917 0.130) 6.177 8.050 ( 1.330 0.383 -6.321) 6.471 8.292 ( -13.165 -1.574 7.534) 15.250 8.397 ( 1.886 1.895 -2.376) 3.577 8.548 ( 2.067 -5.386 -2.250) 6.192 8.695 ( 2.236 3.116 -0.148) 3.839 8.839 ( 1.814 0.326 -7.052) 7.288 9.320 ( -0.702 -5.303 -7.065) 8.862 9.777 ( -10.333 6.040 16.859) 20.676 10.338 ( 5.802 -15.730 0.698) 16.781 10.377 ( 3.491 -4.527 -2.515) 6.245 10.931 ( 9.055 5.749 -8.813) 13.882 ======================= Grid point 277 (132/227) ======================= q-point: ( 0.60 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 2.226 -0.000 -19.480) 19.607 2.589 ( -8.377 0.000 18.613) 20.412 3.520 ( -4.096 0.000 0.219) 4.102 3.567 ( -1.670 0.000 0.912) 1.903 3.943 ( -6.451 0.000 2.112) 6.788 4.047 ( -9.279 0.000 -1.982) 9.489 4.725 ( 8.816 -0.000 -5.594) 10.441 4.758 ( 11.608 -0.000 -1.335) 11.684 5.302 ( 2.006 -0.000 -8.786) 9.012 5.502 ( 6.984 -0.000 6.558) 9.580 5.894 ( -7.830 0.000 -4.456) 9.010 6.686 ( -4.091 0.000 -0.122) 4.093 6.786 ( 1.546 -0.000 13.890) 13.975 7.066 ( -0.445 0.000 0.473) 0.650 7.073 ( 1.421 -0.000 2.952) 3.276 7.268 ( 5.965 -0.000 0.845) 6.025 7.354 ( -0.662 0.000 2.108) 2.210 7.537 ( 7.645 -0.000 3.839) 8.555 8.040 ( 3.805 -0.000 -5.009) 6.290 8.206 ( 3.352 -0.000 1.870) 3.838 8.329 ( 2.919 -0.000 0.180) 2.925 8.391 ( -9.981 0.000 -1.495) 10.092 8.576 ( -7.190 0.000 5.500) 9.052 8.945 ( -2.248 0.000 -12.638) 12.836 9.006 ( 3.976 -0.000 1.297) 4.183 9.232 ( -14.058 0.000 0.224) 14.059 9.643 ( 3.433 -0.000 1.955) 3.951 10.025 ( -5.726 0.000 -0.578) 5.755 10.239 ( 2.674 -0.000 -6.891) 7.392 10.964 ( 7.984 -0.000 -10.431) 13.136 ======================= Grid point 279 (133/227) ======================= q-point: (-0.30 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 4.834 3.126 -8.727) 10.455 2.662 ( 7.100 -0.632 6.340) 9.539 3.424 ( -6.093 1.323 -4.041) 7.430 3.490 ( -11.078 -4.348 -3.007) 12.275 3.816 ( -6.493 3.963 -0.453) 7.620 3.971 ( -4.227 -12.262 0.306) 12.974 4.722 ( 13.528 19.397 -3.536) 23.911 5.058 ( 9.123 -14.510 -2.326) 17.297 5.251 ( -2.652 1.467 -6.713) 7.365 5.640 ( 5.963 1.445 3.683) 7.156 5.704 ( -11.190 -0.969 -3.999) 11.922 6.646 ( -1.576 -1.634 -0.671) 2.367 6.832 ( -3.125 2.514 10.106) 10.872 7.053 ( 0.275 1.201 -0.684) 1.409 7.139 ( 4.701 -1.384 1.531) 5.134 7.299 ( 2.110 7.417 1.163) 7.799 7.439 ( 3.486 -5.855 1.853) 7.062 7.653 ( 4.084 0.614 2.514) 4.835 8.066 ( 3.964 1.096 -6.352) 7.567 8.148 ( -15.602 5.518 -0.480) 16.556 8.278 ( 2.231 -1.435 6.040) 6.597 8.378 ( 1.691 -1.176 -0.469) 2.112 8.449 ( -11.808 -5.202 2.372) 13.120 8.825 ( -3.578 -2.360 -10.383) 11.233 8.924 ( -8.538 6.883 -6.583) 12.791 9.142 ( 3.276 -6.688 -6.194) 9.687 9.779 ( 7.083 -8.616 -0.447) 11.163 9.955 ( -6.057 0.710 7.709) 9.830 10.317 ( 5.441 1.199 5.759) 8.013 11.016 ( 8.374 2.945 -13.123) 15.843 ======================= Grid point 280 (134/227) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 2.700 -4.249 -0.085) 5.035 2.852 ( 14.324 3.440 -5.917) 15.875 3.148 ( -23.370 -9.963 -7.128) 26.386 3.420 ( -2.941 -1.975 1.647) 3.907 3.741 ( 3.489 2.806 -2.156) 4.970 4.091 ( 3.204 -11.634 1.363) 12.144 4.759 ( 14.271 17.415 -2.804) 22.689 5.076 ( -12.919 0.693 -7.149) 14.781 5.252 ( 4.938 -5.732 -5.764) 9.511 5.533 ( -6.976 -1.476 3.219) 7.823 5.743 ( 5.525 2.235 -1.583) 6.167 6.649 ( 0.219 -1.755 -1.636) 2.409 6.760 ( -7.533 3.157 5.512) 9.854 7.054 ( 1.334 0.059 -1.230) 1.815 7.246 ( 0.603 3.590 -1.179) 3.827 7.263 ( 6.129 2.255 3.139) 7.246 7.466 ( -2.171 8.677 -3.429) 9.579 7.644 ( -6.549 -5.146 1.525) 8.468 7.908 ( -6.813 0.407 -0.760) 6.867 8.080 ( 4.342 2.168 -5.360) 7.231 8.251 ( -13.973 -3.274 8.755) 16.812 8.412 ( 2.673 -1.554 -2.093) 3.733 8.437 ( 1.052 -5.245 -0.637) 5.388 8.751 ( -0.464 2.923 -2.142) 3.653 8.820 ( 5.005 -1.906 -8.666) 10.188 9.206 ( 1.810 -5.149 -6.458) 8.456 9.886 ( -8.332 4.179 16.504) 18.954 9.981 ( 6.568 -15.324 -8.873) 18.886 10.412 ( 2.172 2.358 11.364) 11.808 11.035 ( 8.845 4.697 -14.624) 17.724 ======================= Grid point 281 (135/227) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -16.461 -14.790 6.496) 23.064 2.737 ( -9.235 -8.369 -23.757) 26.828 3.048 ( -1.765 -0.665 8.504) 8.711 3.516 ( 10.849 -3.838 1.758) 11.641 3.840 ( 12.116 1.627 -2.578) 12.494 4.263 ( 3.878 -8.879 1.221) 9.765 4.726 ( -11.698 4.093 0.909) 12.427 4.900 ( 13.111 9.112 -12.513) 20.286 5.239 ( -3.286 3.860 -4.646) 6.876 5.516 ( -2.100 0.843 5.854) 6.276 5.765 ( 3.959 2.621 -6.821) 8.311 6.633 ( -8.569 1.275 4.442) 9.736 6.648 ( 0.221 0.369 -2.894) 2.926 7.071 ( 1.493 0.096 -1.865) 2.391 7.127 ( -7.120 5.155 -6.645) 11.019 7.270 ( -3.287 5.074 2.562) 6.566 7.404 ( 5.631 -1.117 0.955) 5.820 7.647 ( -1.932 -4.591 0.842) 5.051 7.834 ( -1.322 1.973 -3.632) 4.340 8.098 ( -5.901 -0.711 2.193) 6.335 8.114 ( -0.720 1.332 0.342) 1.553 8.453 ( -3.079 -5.576 -2.046) 6.690 8.473 ( 5.601 1.119 -0.805) 5.768 8.725 ( -0.659 2.412 -2.120) 3.278 8.953 ( 10.826 1.114 0.301) 10.888 9.206 ( -2.746 -3.512 -6.511) 7.891 9.809 ( -5.365 7.975 17.225) 19.725 10.145 ( 2.977 -16.992 -13.935) 22.176 10.479 ( -0.446 -0.503 12.817) 12.834 11.076 ( 11.058 2.431 -12.600) 16.939 ======================= Grid point 289 (136/227) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 0.531 -0.000 -9.145) 9.160 2.882 ( 16.361 -0.000 1.796) 16.460 3.059 ( -25.624 0.000 -10.507) 27.694 3.395 ( -4.857 0.000 2.408) 5.421 3.817 ( 2.264 -0.000 -1.293) 2.607 3.934 ( 7.169 -0.000 1.947) 7.428 5.000 ( 5.367 -0.000 -1.040) 5.466 5.092 ( -8.721 0.000 -13.361) 15.955 5.111 ( 10.407 -0.000 -1.539) 10.520 5.516 ( -8.250 0.000 1.846) 8.454 5.768 ( 6.355 -0.000 0.807) 6.406 6.631 ( 1.220 -0.000 -1.429) 1.879 6.789 ( -8.544 0.000 5.400) 10.107 7.052 ( -0.155 0.000 -1.705) 1.712 7.236 ( 7.471 -0.000 1.291) 7.582 7.385 ( -1.773 0.000 3.968) 4.346 7.456 ( 4.999 -0.000 -1.007) 5.099 7.671 ( -7.616 0.000 -4.017) 8.611 7.914 ( -9.122 0.000 -2.257) 9.397 8.109 ( 3.867 -0.000 -4.605) 6.013 8.184 ( -15.721 0.000 7.395) 17.373 8.351 ( -0.477 0.000 -0.625) 0.786 8.421 ( 4.222 -0.000 1.162) 4.379 8.788 ( 8.999 -0.000 -9.060) 12.770 8.792 ( -4.279 0.000 -3.229) 5.360 9.159 ( 3.091 -0.000 -4.957) 5.842 9.817 ( 7.035 -0.000 -14.311) 15.946 9.940 ( -6.497 0.000 21.671) 22.623 10.436 ( 1.513 -0.000 12.029) 12.124 11.081 ( 8.538 -0.000 -16.626) 18.690 ======================= Grid point 290 (137/227) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -13.668 -5.423 -1.401) 14.771 2.576 ( -28.365 -5.774 -12.952) 31.712 3.122 ( 13.197 4.953 0.275) 14.098 3.420 ( 5.732 -4.854 2.098) 7.799 3.903 ( 11.623 4.251 0.001) 12.376 4.100 ( 3.614 -7.252 1.812) 8.303 4.766 ( -13.745 0.965 -3.342) 14.179 5.100 ( 13.161 9.808 -9.281) 18.855 5.264 ( 4.105 -1.548 -2.969) 5.297 5.466 ( -2.161 -3.351 5.330) 6.657 5.841 ( 4.995 3.047 -3.324) 6.729 6.650 ( -10.574 0.563 2.960) 10.994 6.652 ( 2.113 0.055 -2.533) 3.299 7.031 ( -1.920 -1.300 -2.776) 3.617 7.311 ( -3.460 9.801 -4.486) 11.321 7.360 ( -5.076 3.739 1.648) 6.516 7.388 ( -0.209 -0.584 -2.120) 2.209 7.540 ( 0.484 -6.026 0.551) 6.070 7.883 ( 1.774 3.662 -1.945) 4.510 8.026 ( -10.765 -5.606 4.914) 13.094 8.153 ( 5.058 1.352 -2.408) 5.762 8.317 ( -2.687 -5.538 -3.720) 7.192 8.506 ( 4.911 0.925 2.456) 5.568 8.762 ( 1.092 1.453 -0.007) 1.817 8.946 ( 11.737 -0.808 -5.566) 13.015 9.161 ( -1.046 -1.287 -1.921) 2.538 9.843 ( 2.748 -4.029 -6.598) 8.205 9.983 ( -0.890 0.047 12.256) 12.289 10.489 ( -3.406 0.702 13.436) 13.879 11.112 ( 9.025 1.154 -17.992) 20.162 ======================= Grid point 291 (138/227) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -26.931 -9.158 0.332) 28.447 2.246 ( -21.507 -18.408 -2.564) 28.425 3.211 ( 3.663 6.600 6.849) 10.192 3.629 ( 9.470 -7.622 -1.362) 12.232 3.973 ( -12.304 -4.671 -1.771) 13.280 4.174 ( 11.193 -0.930 2.330) 11.471 4.742 ( 13.153 5.923 0.313) 14.429 5.165 ( 6.424 4.639 -10.180) 12.900 5.225 ( 3.058 8.653 -2.824) 9.602 5.530 ( 1.457 -0.837 4.107) 4.437 5.829 ( 3.504 6.354 -7.219) 10.236 6.508 ( -9.456 -1.276 3.530) 10.173 6.653 ( 0.792 1.375 -3.299) 3.660 6.952 ( -6.652 -0.689 -5.046) 8.377 7.103 ( -2.711 2.705 -4.110) 5.618 7.295 ( -1.102 4.975 3.878) 6.404 7.470 ( 3.299 -0.599 -1.029) 3.508 7.580 ( -2.395 -4.816 0.694) 5.423 7.832 ( -1.826 2.489 -0.406) 3.113 8.009 ( 1.373 -1.463 2.649) 3.323 8.199 ( 4.185 2.613 -1.406) 5.130 8.363 ( 2.817 -5.732 -2.992) 7.053 8.594 ( 6.042 0.380 0.475) 6.073 8.734 ( -0.943 6.684 -1.470) 6.908 9.040 ( 1.839 -5.102 -7.870) 9.557 9.126 ( -5.429 1.697 6.641) 8.744 9.931 ( 7.503 -4.205 -7.960) 11.720 10.035 ( 2.032 2.158 8.156) 8.678 10.478 ( -6.933 -2.011 11.845) 13.871 11.175 ( 11.036 -1.899 -14.902) 18.641 ======================= Grid point 300 (139/227) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -29.987 0.000 -3.587) 30.200 2.043 ( -23.122 0.000 3.646) 23.408 3.304 ( 0.429 -0.000 3.399) 3.426 3.524 ( 9.823 -0.000 1.323) 9.911 3.928 ( -15.840 0.000 -2.234) 15.997 4.171 ( 17.438 -0.000 2.820) 17.664 4.797 ( 16.502 -0.000 -1.623) 16.582 5.209 ( 1.524 -0.000 -6.964) 7.129 5.332 ( 3.518 -0.000 -1.872) 3.985 5.489 ( 5.908 -0.000 3.358) 6.796 5.906 ( 4.415 -0.000 -6.669) 7.998 6.492 ( -10.798 0.000 2.688) 11.127 6.666 ( 0.992 -0.000 -3.648) 3.780 6.945 ( -5.348 0.000 -4.346) 6.892 7.134 ( -7.790 0.000 -5.377) 9.465 7.380 ( -0.980 0.000 4.108) 4.224 7.477 ( 5.009 -0.000 -0.881) 5.086 7.486 ( -2.542 0.000 -1.414) 2.909 7.863 ( -6.383 0.000 4.885) 8.038 7.998 ( 5.813 -0.000 -0.111) 5.814 8.247 ( 1.071 -0.000 -4.149) 4.285 8.265 ( 9.689 -0.000 -1.050) 9.746 8.592 ( 3.614 -0.000 1.171) 3.799 8.821 ( 3.743 -0.000 1.417) 4.002 8.978 ( -1.031 0.000 -10.866) 10.915 9.126 ( -5.219 0.000 7.231) 8.918 9.862 ( 7.948 -0.000 -16.090) 17.946 10.087 ( 4.532 -0.000 18.265) 18.819 10.466 ( -8.874 0.000 12.512) 15.339 11.155 ( 9.648 -0.000 -18.535) 20.896 ======================= Grid point 301 (140/227) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -22.391 -6.115 12.599) 26.410 1.751 ( -24.764 -12.480 11.153) 29.890 3.097 ( -31.165 -2.933 16.443) 35.359 3.699 ( 8.930 -0.448 -0.269) 8.945 3.807 ( 4.823 -1.459 -8.139) 9.572 4.477 ( 17.621 1.078 4.979) 18.342 4.981 ( -0.533 4.974 -1.367) 5.186 5.226 ( 13.418 5.326 -6.391) 15.788 5.324 ( 2.843 0.922 -6.422) 7.084 5.647 ( 10.259 1.679 3.978) 11.131 5.900 ( 3.842 5.351 -8.518) 10.769 6.371 ( -7.243 -2.435 4.456) 8.846 6.641 ( -0.950 0.060 -2.384) 2.567 6.860 ( -1.586 0.281 -3.719) 4.052 7.049 ( -1.789 -0.664 -2.367) 3.041 7.352 ( -1.215 6.130 3.495) 7.160 7.456 ( -1.412 -3.506 -1.336) 4.008 7.515 ( -1.804 -2.412 1.297) 3.279 7.838 ( -0.143 1.842 3.368) 3.842 8.082 ( 4.373 -1.076 1.827) 4.860 8.260 ( 3.007 0.650 -3.614) 4.746 8.450 ( 12.241 1.104 -1.230) 12.353 8.591 ( -4.127 -0.068 -9.085) 9.979 8.827 ( 2.905 6.905 0.818) 7.536 8.940 ( 0.349 -6.728 -3.473) 7.580 9.065 ( -8.136 -0.280 8.240) 11.583 9.863 ( 2.061 -3.076 -16.712) 17.117 10.291 ( 8.030 5.569 11.402) 15.016 10.367 ( -9.713 -2.788 10.555) 14.612 11.251 ( 12.682 -3.155 -12.630) 18.174 ======================= Grid point 311 (141/227) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -20.814 0.000 22.747) 30.833 1.470 ( -11.405 0.000 32.284) 34.240 2.603 ( -38.163 0.000 25.510) 45.904 3.868 ( 7.014 -0.000 -5.148) 8.701 3.873 ( 11.140 -0.000 -1.026) 11.187 4.720 ( 6.560 -0.000 3.361) 7.371 4.854 ( -11.786 0.000 -4.403) 12.582 5.283 ( 2.011 -0.000 -6.159) 6.479 5.527 ( 18.272 -0.000 -8.583) 20.188 5.870 ( 9.736 -0.000 4.904) 10.901 5.937 ( 3.671 -0.000 -9.824) 10.487 6.364 ( 6.553 -0.000 10.217) 12.138 6.627 ( 0.661 -0.000 0.101) 0.668 6.834 ( -0.163 0.000 -3.349) 3.353 7.031 ( 1.356 -0.000 -0.704) 1.528 7.356 ( -4.031 0.000 0.891) 4.129 7.457 ( 4.894 -0.000 -0.225) 4.899 7.479 ( -2.812 0.000 5.592) 6.259 7.808 ( -11.117 0.000 -0.046) 11.117 8.140 ( 2.930 -0.000 3.419) 4.503 8.256 ( -1.437 0.000 -4.032) 4.280 8.420 ( -2.344 0.000 -17.271) 17.429 8.694 ( 15.444 -0.000 -0.484) 15.451 8.859 ( -5.713 0.000 1.484) 5.903 8.931 ( 2.037 -0.000 -0.838) 2.203 9.048 ( 4.001 -0.000 7.448) 8.455 9.763 ( -1.495 0.000 -15.555) 15.626 10.151 ( -17.199 0.000 6.000) 18.216 10.515 ( 5.946 -0.000 5.583) 8.156 11.421 ( 16.104 -0.000 -3.272) 16.433 ======================= Grid point 312 (142/227) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 4.386 -0.000 19.644) 20.127 2.066 ( -3.617 0.000 18.283) 18.638 3.273 ( -1.536 0.000 31.559) 31.596 3.980 ( -4.421 0.000 1.979) 4.844 4.088 ( 2.659 -0.000 -1.337) 2.977 4.350 ( 0.745 -0.000 -4.875) 4.932 4.361 ( -5.539 0.000 -8.154) 9.857 5.517 ( 5.910 -0.000 2.494) 6.414 5.677 ( -4.622 0.000 -6.460) 7.943 5.781 ( -12.468 0.000 -1.479) 12.556 5.869 ( 10.359 -0.000 -0.314) 10.364 6.708 ( -2.574 0.000 -0.292) 2.590 6.731 ( 0.992 -0.000 -9.036) 9.091 6.782 ( 5.191 -0.000 -1.197) 5.327 7.171 ( 3.520 -0.000 0.604) 3.572 7.313 ( -2.176 0.000 1.127) 2.450 7.363 ( 0.057 -0.000 2.035) 2.036 7.621 ( 5.182 -0.000 1.945) 5.535 7.677 ( -7.167 0.000 0.610) 7.193 7.853 ( 8.744 -0.000 -5.582) 10.373 8.420 ( 3.151 -0.000 4.229) 5.274 8.468 ( 7.631 -0.000 -7.006) 10.360 8.668 ( 4.868 -0.000 -0.305) 4.878 8.813 ( -3.048 0.000 -1.369) 3.341 9.193 ( 10.221 -0.000 -0.487) 10.233 9.321 ( -8.130 0.000 2.552) 8.521 9.456 ( 5.578 -0.000 -3.216) 6.438 9.557 ( -14.463 0.000 -0.197) 14.464 10.728 ( -0.751 0.000 3.608) 3.685 11.816 ( 0.668 -0.000 1.960) 2.071 ======================= Grid point 313 (143/227) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 7.578 1.348 17.030) 18.689 2.338 ( 11.613 -12.304 14.438) 22.242 3.278 ( -10.094 5.495 14.782) 18.724 3.846 ( -6.015 8.005 0.005) 10.013 4.083 ( -0.728 0.949 -0.250) 1.222 4.332 ( -2.383 -10.761 -2.695) 11.346 4.464 ( 11.736 -0.668 1.295) 11.826 5.432 ( -16.663 10.691 0.003) 19.798 5.490 ( -9.704 2.775 -4.539) 11.066 5.625 ( -3.039 -2.530 0.110) 3.956 5.991 ( 6.048 2.648 -0.963) 6.672 6.656 ( -0.338 2.533 -2.270) 3.418 6.762 ( 4.613 -1.858 -2.489) 5.561 6.845 ( 2.412 -0.883 -1.977) 3.241 7.216 ( 2.410 0.105 -3.136) 3.956 7.275 ( -1.455 0.711 0.073) 1.621 7.369 ( -13.447 1.477 0.036) 13.528 7.453 ( 0.007 -9.804 2.732) 10.178 7.864 ( 12.889 -2.929 -5.669) 14.382 8.009 ( 11.114 2.242 -3.234) 11.790 8.398 ( -0.955 4.947 -3.317) 6.032 8.494 ( -1.501 -3.935 -1.670) 4.531 8.784 ( 0.601 1.192 1.220) 1.808 8.865 ( 11.996 3.754 -5.283) 13.635 9.058 ( -14.579 0.257 -3.075) 14.902 9.219 ( -4.645 -3.191 1.027) 5.729 9.506 ( 0.079 -3.379 -1.745) 3.803 9.654 ( 16.453 -1.213 7.827) 18.260 10.679 ( -5.882 2.541 1.834) 6.665 11.723 ( -9.242 6.546 0.947) 11.365 ======================= Grid point 314 (144/227) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 7.349 -0.509 15.967) 17.585 2.711 ( 4.858 -12.854 16.590) 21.541 3.178 ( 6.885 1.605 -9.770) 12.059 3.673 ( -1.515 13.713 -1.644) 13.894 4.039 ( -2.087 4.106 -1.744) 4.925 4.337 ( -6.561 -3.019 1.138) 7.312 4.724 ( 10.985 -8.360 7.186) 15.562 5.050 ( -19.080 8.185 1.215) 20.797 5.242 ( -12.429 0.955 -8.748) 15.229 5.599 ( -2.230 1.967 1.785) 3.468 5.997 ( 1.631 7.010 -2.891) 7.756 6.635 ( 1.124 0.808 -1.796) 2.268 6.823 ( -2.259 -3.943 -0.008) 4.544 6.847 ( 0.210 -0.545 -2.475) 2.543 7.169 ( -4.671 -0.639 0.006) 4.714 7.249 ( 2.594 4.773 -1.161) 5.555 7.279 ( 1.015 -2.166 -2.027) 3.136 7.599 ( 1.882 -11.666 3.181) 12.238 7.945 ( 0.733 3.739 -7.359) 8.287 8.135 ( 9.151 -1.496 -4.132) 10.151 8.359 ( 3.431 0.373 -6.527) 7.384 8.492 ( -1.540 -3.398 -2.139) 4.301 8.649 ( -15.921 6.814 -4.538) 17.902 8.781 ( -1.570 2.735 2.674) 4.135 8.902 ( -12.203 -2.458 3.023) 12.810 9.367 ( 11.144 1.712 -3.214) 11.724 9.554 ( 6.833 -7.636 -2.431) 10.531 10.015 ( 19.388 -1.952 10.039) 21.920 10.530 ( -8.642 3.947 -1.104) 9.564 11.441 ( -14.758 11.432 -0.615) 18.677 ======================= Grid point 315 (145/227) ======================= q-point: ( 0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -5.879 -1.763 11.366) 12.917 2.917 ( 10.884 -6.598 1.196) 12.784 3.371 ( 14.987 4.169 -11.088) 19.104 3.598 ( 7.240 4.007 1.681) 8.444 3.924 ( -2.980 7.091 -1.094) 7.769 4.175 ( -11.809 7.293 3.149) 14.233 4.681 ( -15.503 6.345 0.114) 16.751 5.010 ( 1.395 -10.107 -2.727) 10.561 5.032 ( -4.745 -2.945 -3.210) 6.442 5.536 ( -4.086 2.635 1.662) 5.139 5.903 ( -0.766 8.748 -3.906) 9.611 6.651 ( 1.339 -0.842 -1.591) 2.243 6.762 ( -4.025 -0.183 -1.909) 4.459 6.855 ( -2.622 -5.766 -2.093) 6.671 7.145 ( -1.874 -2.728 0.530) 3.352 7.283 ( 6.094 4.014 -0.076) 7.297 7.306 ( 2.475 0.366 -0.261) 2.515 7.724 ( -0.718 -7.093 2.319) 7.497 7.839 ( -2.896 1.914 -3.680) 5.059 8.239 ( 4.236 -2.463 -4.375) 6.569 8.287 ( -15.214 7.350 -1.712) 16.983 8.381 ( 1.481 -1.876 -8.620) 8.945 8.520 ( -0.199 -5.421 -4.526) 7.065 8.719 ( -3.437 4.477 4.995) 7.537 8.777 ( -6.779 -1.525 2.070) 7.250 9.382 ( -3.737 -1.334 0.801) 4.048 9.796 ( 12.758 -2.464 -3.837) 13.548 10.361 ( -4.800 3.208 -4.255) 7.172 10.385 ( 17.520 -1.132 9.722) 20.069 11.087 ( -13.347 12.555 -1.900) 18.422 ======================= Grid point 316 (146/227) ======================= q-point: ( 0.40 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -4.992 -0.762 -9.565) 10.816 3.214 ( 14.554 -9.960 -5.184) 18.381 3.343 ( 6.363 19.686 0.796) 20.704 3.606 ( -8.643 8.846 11.011) 16.559 3.873 ( -7.689 10.088 2.545) 12.937 4.101 ( 15.914 -10.648 -3.205) 19.414 4.436 ( -7.866 4.113 -1.379) 8.983 4.887 ( -8.511 -6.252 -8.388) 13.487 5.096 ( -2.670 -0.194 -5.068) 5.732 5.469 ( -3.222 -1.014 2.298) 4.085 5.799 ( -0.740 6.615 -2.627) 7.156 6.635 ( -2.039 0.379 -3.483) 4.053 6.720 ( -2.045 -1.021 0.773) 2.413 6.860 ( -0.948 -6.011 -2.638) 6.633 7.139 ( -1.686 -1.795 -2.283) 3.358 7.286 ( -0.783 1.806 0.157) 1.974 7.387 ( 6.831 3.358 2.288) 7.948 7.694 ( -3.255 -1.326 -2.659) 4.407 7.838 ( -3.657 -4.180 1.122) 5.666 8.037 ( -5.458 4.317 0.905) 7.017 8.295 ( -0.475 -1.665 -3.828) 4.201 8.322 ( -2.855 -2.512 -1.473) 4.078 8.535 ( -1.106 -4.798 -6.718) 8.329 8.642 ( -2.912 4.432 -0.489) 5.326 8.791 ( 4.143 -2.553 5.238) 7.150 9.318 ( -6.214 -0.497 1.689) 6.458 9.882 ( -5.440 -6.613 4.611) 9.726 10.270 ( 4.077 9.496 -14.576) 17.868 10.671 ( 10.153 2.130 10.020) 14.423 10.851 ( 0.072 6.912 -2.575) 7.377 ======================= Grid point 317 (147/227) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -3.185 2.425 -18.033) 18.472 3.115 ( -9.352 17.572 1.877) 19.994 3.441 ( -3.858 5.774 15.060) 16.584 3.584 ( 9.426 0.774 3.980) 10.261 3.754 ( 7.126 1.621 -2.809) 7.829 4.358 ( 1.071 -0.180 -1.712) 2.027 4.490 ( 18.523 -10.560 -6.644) 22.333 4.723 ( -10.566 3.142 -2.032) 11.208 4.948 ( -8.426 -4.394 -9.737) 13.606 5.483 ( -0.384 -4.676 0.777) 4.755 5.731 ( -0.685 3.948 -0.623) 4.056 6.582 ( -1.871 -0.312 -2.325) 3.001 6.684 ( -3.831 -0.219 1.599) 4.157 6.902 ( 0.282 -4.292 -2.200) 4.831 7.073 ( -2.690 2.669 -3.660) 5.269 7.282 ( -0.722 -1.818 3.180) 3.734 7.446 ( 3.442 2.821 -0.948) 4.550 7.659 ( -1.704 -1.178 -1.549) 2.587 7.776 ( -1.517 1.184 -1.033) 2.184 8.048 ( 0.878 -3.532 3.319) 4.926 8.191 ( -5.580 0.590 0.497) 5.633 8.405 ( 4.706 -4.485 1.135) 6.599 8.468 ( -2.855 3.103 -5.370) 6.828 8.578 ( -2.860 -2.103 -4.023) 5.365 8.957 ( 8.319 -2.550 2.007) 8.929 9.236 ( -6.993 -2.561 6.827) 10.103 9.891 ( -8.335 -13.799 9.582) 18.754 10.091 ( 0.821 15.402 -18.234) 23.882 10.756 ( 2.994 5.539 5.962) 8.672 10.931 ( 11.694 3.961 -3.891) 12.945 ======================= Grid point 318 (148/227) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -2.250 5.420 -4.019) 7.113 2.759 ( -16.654 18.889 9.375) 26.871 3.472 ( 2.588 3.362 15.122) 15.706 3.632 ( 5.149 2.235 -5.442) 7.818 3.982 ( 4.331 -2.998 -2.853) 5.991 4.288 ( -3.599 8.491 1.259) 9.308 4.553 ( 7.852 -6.722 -8.979) 13.692 4.838 ( 1.923 -5.764 -6.579) 8.955 4.912 ( 8.574 -12.274 -2.634) 15.202 5.534 ( 0.275 -5.959 0.214) 5.969 5.703 ( 0.230 0.803 0.903) 1.230 6.546 ( -3.693 -1.470 -0.047) 3.975 6.649 ( 0.037 2.125 2.811) 3.524 6.862 ( -3.533 1.803 -3.248) 5.127 7.043 ( 0.540 -0.762 -0.314) 0.985 7.304 ( -1.496 -2.822 2.819) 4.261 7.451 ( 1.337 1.795 -2.716) 3.519 7.633 ( -0.696 1.196 -0.388) 1.437 7.795 ( 3.003 -0.965 1.698) 3.583 8.077 ( -1.042 -2.163 1.742) 2.966 8.187 ( 3.480 -0.411 2.511) 4.311 8.378 ( -0.938 3.762 -2.605) 4.670 8.493 ( -4.107 -1.469 -7.786) 8.924 8.558 ( 4.432 -6.634 1.413) 8.102 9.022 ( 2.570 3.931 -3.480) 5.845 9.266 ( -7.609 -10.854 14.418) 19.586 9.848 ( 0.140 15.220 -14.709) 21.166 10.027 ( 1.038 -16.533 6.979) 17.976 10.741 ( -2.856 6.093 5.066) 8.423 11.035 ( 12.866 7.046 -8.605) 17.007 ======================= Grid point 319 (149/227) ======================= q-point: (-0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -1.532 5.226 17.762) 18.578 2.394 ( -15.692 17.853 16.434) 28.897 3.583 ( -15.155 10.559 14.468) 23.463 3.602 ( 3.030 0.403 -11.847) 12.235 3.745 ( 2.116 2.078 0.649) 3.035 4.521 ( 16.968 -9.758 0.011) 19.574 4.664 ( -2.715 -9.914 -6.147) 11.977 4.948 ( 14.326 -5.537 -6.239) 16.577 5.111 ( 5.245 -4.074 -6.412) 9.232 5.616 ( 3.400 -6.587 -0.412) 7.424 5.747 ( 2.457 -4.204 2.587) 5.514 6.499 ( -2.343 1.234 3.537) 4.418 6.672 ( 2.411 2.567 3.533) 4.988 6.790 ( -0.570 1.796 -2.560) 3.179 7.046 ( -0.666 0.300 0.704) 1.015 7.325 ( -2.347 -4.463 2.649) 5.696 7.421 ( 0.440 2.537 -4.333) 5.040 7.623 ( 0.696 1.911 2.437) 3.174 7.861 ( -0.767 -3.532 4.455) 5.736 8.142 ( 5.976 0.356 1.142) 6.094 8.279 ( 4.674 0.357 2.932) 5.529 8.299 ( -9.125 1.101 -10.255) 13.771 8.386 ( 4.204 -0.190 -3.831) 5.691 8.714 ( 4.667 -7.328 1.001) 8.746 9.016 ( 4.644 4.881 -2.246) 7.102 9.252 ( -15.640 -8.779 13.636) 22.530 9.659 ( 0.766 9.580 -12.781) 15.991 10.270 ( 5.788 -11.555 4.082) 13.553 10.605 ( -9.105 6.072 3.043) 11.359 11.157 ( 16.345 4.774 -6.889) 18.368 ======================= Grid point 320 (150/227) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -11.477 11.476 22.801) 27.988 2.239 ( -6.318 6.817 28.454) 29.933 3.150 ( -17.854 10.448 10.590) 23.239 3.745 ( 10.206 -3.035 -5.079) 11.797 3.870 ( 7.380 -1.239 3.703) 8.349 4.590 ( -9.592 -10.372 -7.719) 16.098 4.816 ( 1.984 1.076 1.644) 2.792 5.085 ( 5.576 -5.642 -3.126) 8.526 5.290 ( 21.130 -4.538 -10.152) 23.878 5.713 ( 3.032 -4.233 -4.114) 6.636 5.877 ( 2.218 -8.109 3.124) 8.969 6.528 ( 4.406 -0.223 4.659) 6.416 6.708 ( 3.684 4.038 4.135) 6.854 6.778 ( 1.270 1.235 -1.536) 2.344 7.048 ( 1.304 0.169 1.719) 2.164 7.329 ( -3.640 -4.485 0.928) 5.850 7.398 ( 3.133 1.985 -4.640) 5.940 7.638 ( -0.018 2.210 5.464) 5.894 7.826 ( -10.701 2.129 -1.309) 10.989 8.069 ( -5.398 -0.256 -7.851) 9.531 8.207 ( 2.692 0.787 -0.730) 2.898 8.323 ( 4.466 6.218 3.258) 8.320 8.579 ( 11.000 -8.640 -0.243) 13.990 8.833 ( 2.854 -5.227 -0.229) 5.960 8.993 ( -4.612 5.750 0.758) 7.410 9.187 ( -2.259 -4.786 7.345) 9.053 9.544 ( -0.387 4.250 -8.985) 9.947 10.250 ( -16.244 3.253 0.400) 16.571 10.555 ( 6.053 -1.915 0.381) 6.360 11.402 ( 17.286 -2.523 -0.218) 17.471 ======================= Grid point 321 (151/227) ======================= q-point: (-0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -4.522 7.951 23.873) 25.565 2.147 ( -15.165 4.653 21.703) 26.882 3.080 ( 0.088 1.148 28.150) 28.174 3.909 ( 8.629 -3.191 -2.194) 9.458 4.006 ( 6.215 -1.402 1.109) 6.467 4.461 ( -10.880 -5.948 -5.732) 13.660 4.606 ( -11.807 8.600 -6.645) 16.047 5.333 ( 12.286 -5.766 1.095) 13.616 5.603 ( 16.110 -6.564 -5.973) 18.393 5.745 ( 1.517 -0.825 -4.863) 5.160 5.924 ( -4.559 -2.936 0.766) 5.477 6.660 ( 5.482 -5.463 -1.040) 7.809 6.741 ( -0.830 0.468 0.530) 1.090 6.785 ( 4.179 4.878 -0.995) 6.500 7.108 ( 4.689 1.041 1.454) 5.019 7.312 ( -3.546 -5.080 0.442) 6.211 7.440 ( 5.365 3.038 -2.502) 6.654 7.504 ( -7.723 8.490 0.877) 11.510 7.692 ( 2.752 1.989 1.720) 3.806 7.971 ( -11.168 -2.913 -3.166) 11.968 8.279 ( 7.368 -2.955 -0.118) 7.940 8.376 ( 7.998 6.929 1.884) 10.749 8.708 ( -7.990 -7.289 1.504) 10.920 8.870 ( -2.642 -0.238 -1.628) 3.112 8.969 ( 14.097 2.536 0.202) 14.325 9.307 ( 6.158 -2.455 3.651) 7.568 9.453 ( -2.338 1.646 -5.944) 6.596 9.900 ( -20.672 4.154 -2.245) 21.205 10.672 ( 4.341 -1.537 2.486) 5.234 11.683 ( 11.256 -4.439 2.253) 12.307 ======================= Grid point 323 (152/227) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 3.796 -0.000 25.592) 25.872 2.503 ( 14.367 -0.000 2.237) 14.540 3.200 ( 1.179 -0.000 -8.431) 8.513 3.870 ( -1.287 0.000 2.220) 2.566 4.075 ( -0.776 0.000 1.532) 1.718 4.231 ( -1.978 0.000 0.850) 2.153 4.665 ( 11.171 -0.000 5.206) 12.325 5.125 ( -23.215 0.000 0.317) 23.217 5.252 ( -15.983 0.000 -8.058) 17.899 5.622 ( -1.001 0.000 2.100) 2.327 6.069 ( 2.685 -0.000 -1.569) 3.110 6.656 ( 0.652 -0.000 -1.617) 1.744 6.768 ( -1.722 0.000 -3.537) 3.934 6.844 ( -0.950 0.000 -2.982) 3.130 7.180 ( -5.720 0.000 1.689) 5.964 7.230 ( 1.811 -0.000 -4.520) 4.869 7.353 ( 3.241 -0.000 4.157) 5.271 7.431 ( 3.080 -0.000 0.406) 3.107 7.979 ( 8.070 -0.000 -10.038) 12.879 8.141 ( 6.078 -0.000 -2.554) 6.593 8.362 ( -5.931 0.000 -1.287) 6.070 8.435 ( 2.840 -0.000 -8.132) 8.614 8.731 ( -18.970 0.000 -3.671) 19.322 8.814 ( 0.991 -0.000 2.797) 2.968 8.862 ( -12.455 0.000 3.194) 12.858 9.380 ( 9.118 -0.000 -2.141) 9.366 9.480 ( 10.463 -0.000 -1.385) 10.554 10.001 ( 20.479 -0.000 9.429) 22.546 10.566 ( -9.960 0.000 -0.606) 9.979 11.550 ( -15.179 0.000 -1.713) 15.275 ======================= Grid point 324 (153/227) ======================= q-point: ( 0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -7.762 1.344 14.081) 16.134 2.767 ( 13.352 -6.697 -3.701) 15.389 3.361 ( 24.286 -1.218 -13.612) 27.867 3.800 ( -0.348 10.443 0.739) 10.475 4.018 ( -3.619 2.116 -5.949) 7.277 4.264 ( -3.189 1.779 14.176) 14.639 4.755 ( -17.909 2.017 0.517) 18.030 4.876 ( 2.153 -2.787 2.141) 4.121 4.951 ( -11.850 -4.901 -6.911) 14.567 5.588 ( -3.534 2.041 1.683) 4.415 6.039 ( -1.685 4.802 -3.873) 6.395 6.661 ( 1.830 1.674 -1.612) 2.958 6.720 ( -2.778 -3.605 -1.901) 4.932 6.786 ( -3.936 -1.403 -3.719) 5.593 7.136 ( -1.346 1.247 1.530) 2.389 7.247 ( 1.679 -3.514 -4.891) 6.252 7.403 ( 5.739 7.191 3.745) 9.933 7.559 ( 3.162 -9.382 3.528) 10.510 7.950 ( -1.522 7.405 -6.705) 10.105 8.207 ( 4.843 -0.835 -4.128) 6.418 8.286 ( -7.116 -6.964 -1.880) 10.132 8.399 ( -8.934 3.591 -4.732) 10.729 8.448 ( -5.590 -1.514 -6.112) 8.420 8.718 ( -7.255 -2.007 4.977) 9.024 8.822 ( -0.399 3.439 1.956) 3.976 9.312 ( -9.350 -3.795 1.984) 10.284 9.790 ( 16.419 0.578 -3.121) 16.723 10.378 ( 17.701 0.402 9.255) 19.978 10.395 ( -4.682 0.495 -3.865) 6.091 11.262 ( -14.130 5.357 -4.873) 15.878 ======================= Grid point 325 (154/227) ======================= q-point: ( 0.30 0.10 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -4.016 0.175 -5.809) 7.064 3.032 ( 15.040 -8.690 -7.585) 18.954 3.630 ( 12.406 10.549 -10.286) 19.261 3.736 ( -1.551 5.444 7.605) 9.481 3.945 ( 7.425 -3.950 -6.161) 10.425 4.142 ( -10.378 15.017 11.146) 21.388 4.477 ( -13.239 0.654 -2.864) 13.561 4.740 ( -6.828 -7.851 -6.264) 12.145 5.074 ( 3.578 -3.775 3.375) 6.200 5.493 ( -6.045 3.052 1.456) 6.926 5.915 ( -3.523 5.499 -5.544) 8.567 6.644 ( -1.830 0.783 -2.479) 3.180 6.697 ( -3.310 -1.669 -0.023) 3.707 6.770 ( 2.324 -3.573 -2.625) 5.006 7.121 ( -0.298 0.571 0.801) 1.028 7.279 ( 0.605 -3.263 -3.330) 4.701 7.459 ( 5.697 4.507 1.885) 7.505 7.683 ( 0.992 -4.253 1.524) 4.626 7.795 ( -5.111 4.901 -0.208) 7.084 8.112 ( -11.418 1.971 -0.263) 11.590 8.260 ( 0.258 -3.018 -0.952) 3.175 8.272 ( -3.909 -1.366 -2.907) 5.059 8.409 ( -1.846 -7.058 -5.189) 8.953 8.730 ( 1.337 -1.407 0.060) 1.942 8.760 ( -1.162 5.501 2.479) 6.145 9.231 ( -9.595 -7.753 3.758) 12.895 9.800 ( -13.653 -2.560 2.915) 14.193 10.381 ( 9.906 3.622 -11.952) 15.941 10.710 ( 16.328 1.823 7.080) 17.890 11.011 ( -3.746 8.157 -5.255) 10.401 ======================= Grid point 326 (155/227) ======================= q-point: (-0.60 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 1.536 2.910 -16.526) 16.851 3.260 ( 5.848 -3.659 -8.181) 10.701 3.533 ( -2.233 8.147 1.968) 8.674 3.664 ( -0.249 6.371 6.554) 9.144 3.881 ( -8.180 10.484 0.324) 13.301 4.243 ( 6.448 -9.211 0.890) 11.279 4.368 ( 11.534 -4.079 -10.351) 16.025 4.719 ( -0.982 -0.993 1.636) 2.151 5.031 ( -7.206 8.571 -4.192) 11.957 5.412 ( -4.173 -2.599 3.744) 6.180 5.790 ( -3.770 2.464 -4.550) 6.402 6.574 ( -4.160 -0.505 -2.060) 4.669 6.673 ( -1.926 -0.828 1.869) 2.808 6.846 ( 4.455 -1.935 -0.909) 4.942 7.109 ( -1.050 1.603 -1.476) 2.419 7.272 ( -1.560 -0.409 -0.133) 1.618 7.503 ( 3.257 3.288 -0.957) 4.726 7.653 ( -1.079 1.736 -0.263) 2.061 7.772 ( -0.399 -2.288 -0.877) 2.482 7.989 ( -5.973 -2.751 4.438) 7.933 8.196 ( -3.004 -0.068 0.812) 3.112 8.324 ( 2.477 -4.493 -0.028) 5.131 8.427 ( -0.898 -5.359 -3.745) 6.599 8.626 ( -4.303 6.127 -1.534) 7.643 8.866 ( 5.797 -5.387 3.428) 8.624 9.170 ( -9.569 -5.770 4.125) 11.911 9.625 ( -16.946 -13.513 7.352) 22.887 10.336 ( 2.741 10.612 -18.241) 21.280 10.889 ( 7.135 7.588 4.015) 11.163 11.013 ( 13.261 4.743 -3.829) 14.595 ======================= Grid point 327 (156/227) ======================= q-point: (-0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 4.579 7.812 -10.023) 13.508 3.069 ( -13.461 13.937 1.818) 19.461 3.544 ( -1.094 3.745 12.149) 12.760 3.664 ( 1.307 1.109 -7.756) 7.943 3.839 ( 8.004 -9.714 -5.677) 13.808 4.333 ( 3.584 -8.040 0.303) 8.808 4.604 ( -4.824 12.901 -10.779) 17.490 4.737 ( 11.455 -4.200 1.559) 12.300 4.811 ( 3.320 2.559 -1.502) 4.453 5.425 ( -2.407 -5.646 3.772) 7.204 5.703 ( -3.664 -0.877 -2.528) 4.537 6.520 ( -2.693 -1.105 0.373) 2.935 6.671 ( -0.548 0.200 3.617) 3.664 6.905 ( 1.878 2.182 -0.028) 2.879 7.043 ( -1.635 1.402 -1.959) 2.912 7.267 ( -1.340 -1.408 1.689) 2.575 7.489 ( 0.567 2.698 -2.456) 3.692 7.655 ( 1.681 1.075 0.750) 2.132 7.790 ( 1.326 -0.085 1.068) 1.705 7.993 ( -1.201 -6.560 2.133) 7.002 8.195 ( 2.083 0.680 0.916) 2.375 8.381 ( -2.422 -4.843 -3.061) 6.220 8.458 ( 3.477 -2.258 1.234) 4.326 8.504 ( -4.211 2.627 -1.045) 5.072 9.011 ( 2.011 -5.961 0.969) 6.366 9.083 ( -11.610 -6.598 9.286) 16.265 9.673 ( -1.799 -21.127 7.225) 22.401 10.125 ( -0.968 14.114 -17.518) 22.517 10.897 ( 1.438 9.961 2.089) 10.279 11.154 ( 13.255 5.516 -7.749) 16.314 ======================= Grid point 328 (157/227) ======================= q-point: (-0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 3.790 10.046 7.611) 13.161 2.729 ( -13.699 17.858 10.286) 24.746 3.551 ( 2.105 -4.475 -8.529) 9.859 3.699 ( 3.469 -0.598 5.449) 6.488 3.907 ( -9.586 10.951 -1.403) 14.622 4.307 ( -1.235 -4.765 -9.028) 10.283 4.542 ( 9.586 -8.772 2.771) 13.286 4.839 ( 3.178 -2.752 3.902) 5.736 5.054 ( 16.207 -1.966 -10.849) 19.602 5.487 ( 0.818 -7.135 4.512) 8.481 5.668 ( -2.249 -4.425 -1.237) 5.116 6.515 ( 0.176 0.543 3.548) 3.593 6.695 ( 0.902 -0.057 3.736) 3.844 6.864 ( -0.060 5.913 0.454) 5.931 7.042 ( 0.418 -0.790 0.380) 0.971 7.262 ( -1.989 -2.184 1.549) 3.336 7.456 ( -0.250 1.756 -2.961) 3.452 7.672 ( 2.444 3.275 1.014) 4.210 7.817 ( -1.839 -1.753 5.735) 6.273 8.108 ( 7.051 -5.462 0.014) 8.919 8.228 ( 1.120 -1.888 -4.380) 4.899 8.344 ( -2.869 1.193 1.380) 3.400 8.398 ( -2.267 0.869 -3.031) 3.883 8.598 ( 5.696 -4.967 2.592) 7.990 9.028 ( -2.823 -4.511 2.605) 5.925 9.065 ( -8.779 -8.917 7.531) 14.604 9.870 ( -2.180 10.340 -14.393) 17.856 9.986 ( 8.632 -16.626 5.918) 19.646 10.767 ( -6.116 11.037 -0.103) 12.619 11.249 ( 11.614 4.583 -10.103) 16.061 ======================= Grid point 329 (158/227) ======================= q-point: (-0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -3.574 9.554 19.968) 22.422 2.468 ( -7.689 17.262 17.404) 25.690 3.449 ( -15.653 21.431 2.883) 26.695 3.650 ( 6.307 -7.200 -8.842) 13.031 3.819 ( 3.173 -4.396 5.453) 7.689 4.395 ( 1.234 -10.299 -6.868) 12.440 4.815 ( 11.389 -3.007 7.783) 14.118 4.922 ( -3.543 -9.685 0.125) 10.313 5.198 ( 11.296 -4.466 -12.627) 17.521 5.634 ( 6.926 -4.175 -0.130) 8.088 5.707 ( -0.025 -9.514 0.542) 9.530 6.548 ( 2.412 2.078 4.546) 5.550 6.735 ( 1.179 -0.778 2.345) 2.738 6.840 ( 1.795 4.998 3.353) 6.280 7.061 ( 3.200 1.046 0.899) 3.485 7.266 ( -1.580 -2.241 0.983) 2.913 7.427 ( 0.848 1.161 -3.308) 3.607 7.693 ( 2.686 3.429 2.619) 5.082 7.814 ( -4.763 -1.850 4.751) 6.977 8.117 ( -7.764 2.451 -8.120) 11.499 8.221 ( 2.126 0.351 -0.603) 2.237 8.398 ( 5.447 1.553 4.493) 7.230 8.412 ( 2.998 -8.591 -0.989) 9.153 8.754 ( 8.350 -2.732 0.513) 8.801 9.009 ( -9.724 -5.165 7.057) 13.078 9.097 ( 3.940 -3.753 1.096) 5.551 9.661 ( -2.421 8.698 -10.851) 14.116 10.257 ( 0.137 -6.887 3.215) 7.602 10.553 ( -4.474 5.380 -2.309) 7.368 11.356 ( 10.104 -2.268 -6.801) 12.389 ======================= Grid point 330 (159/227) ======================= q-point: (-0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -3.811 14.017 23.227) 27.396 2.311 ( -10.084 13.194 18.008) 24.496 3.158 ( -6.023 8.895 14.065) 17.698 3.816 ( 9.571 -6.421 -5.437) 12.743 3.932 ( 1.432 -6.534 3.640) 7.616 4.405 ( -2.721 -0.861 -2.597) 3.858 4.750 ( -10.117 6.375 -1.858) 12.101 5.137 ( 8.151 -14.436 3.112) 16.868 5.408 ( 9.643 -12.580 -7.890) 17.706 5.732 ( 5.319 -1.646 -2.590) 6.141 5.815 ( 0.107 -7.568 -0.535) 7.588 6.597 ( 2.363 -1.314 0.431) 2.738 6.754 ( -0.546 0.877 1.537) 1.852 6.842 ( -0.191 2.195 3.790) 4.384 7.168 ( 9.808 4.387 -0.585) 10.760 7.262 ( 1.049 -0.826 0.446) 1.408 7.437 ( 3.442 -1.368 -2.444) 4.437 7.689 ( -2.733 7.114 1.796) 7.830 7.748 ( -2.032 3.145 3.443) 5.087 7.933 ( -7.468 1.182 -5.598) 9.408 8.250 ( 3.717 -0.895 -0.728) 3.892 8.472 ( 3.354 -3.189 1.323) 4.814 8.534 ( -0.199 -4.855 2.270) 5.363 8.857 ( 0.376 -0.428 -1.652) 1.747 9.018 ( 9.185 1.676 1.172) 9.410 9.228 ( 5.036 -5.469 4.112) 8.496 9.512 ( -2.973 4.699 -6.729) 8.729 10.035 ( -17.013 9.533 -2.834) 19.707 10.612 ( 4.157 -5.049 0.157) 6.542 11.537 ( 6.857 -10.682 -0.814) 12.719 ======================= Grid point 331 (160/227) ======================= q-point: (-0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -5.756 9.140 19.665) 22.436 2.224 ( 5.561 14.303 17.670) 23.403 3.203 ( -2.934 -6.000 20.649) 21.703 3.911 ( -5.129 -5.798 0.501) 7.757 4.043 ( 3.480 -4.420 1.101) 5.733 4.349 ( 2.681 2.517 -3.527) 5.095 4.515 ( -6.053 10.986 -3.191) 12.943 5.378 ( 2.533 -15.175 1.409) 15.450 5.550 ( -1.887 -9.529 -4.014) 10.511 5.785 ( -8.830 -2.200 -1.844) 9.285 5.850 ( 9.161 -1.596 -1.909) 9.493 6.641 ( 1.050 -3.813 -4.445) 5.950 6.739 ( 0.179 1.418 1.552) 2.110 6.835 ( 0.911 2.395 0.140) 2.566 7.192 ( 2.453 1.206 -3.035) 4.084 7.298 ( 0.916 3.063 -0.652) 3.262 7.543 ( -1.793 12.991 2.434) 13.338 7.568 ( -1.949 -5.636 0.593) 5.993 7.705 ( 3.453 3.496 0.953) 5.005 7.861 ( 6.455 0.879 -4.914) 8.160 8.348 ( 4.232 -3.796 -0.635) 5.720 8.529 ( -3.731 -3.829 0.735) 5.396 8.607 ( 12.040 -0.430 -2.041) 12.220 8.830 ( -0.887 1.767 -1.631) 2.563 9.155 ( 3.122 -2.854 -1.641) 4.537 9.387 ( -5.357 3.771 -2.892) 7.161 9.394 ( 8.261 -2.128 5.459) 10.128 9.671 ( -12.052 9.617 -3.293) 15.767 10.688 ( -0.837 -4.252 2.058) 4.798 11.705 ( -0.412 -11.627 1.694) 11.757 ======================= Grid point 334 (161/227) ======================= q-point: ( 0.20 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -3.965 0.000 -4.504) 6.000 2.944 ( 15.675 -0.000 -8.101) 17.644 3.713 ( 23.572 -0.000 -3.637) 23.851 3.821 ( 0.672 -0.000 -4.229) 4.282 3.888 ( -6.491 0.000 -9.809) 11.762 4.338 ( -11.482 0.000 13.435) 17.673 4.471 ( -16.130 0.000 -0.293) 16.133 4.650 ( -3.604 0.000 -3.015) 4.699 5.015 ( 5.872 -0.000 4.682) 7.510 5.530 ( -5.877 0.000 0.785) 5.930 5.972 ( -5.294 0.000 -7.158) 8.903 6.664 ( -0.620 0.000 -0.031) 0.620 6.665 ( -5.932 0.000 -2.203) 6.328 6.737 ( 4.908 -0.000 -2.418) 5.471 7.147 ( -0.154 0.000 3.080) 3.084 7.220 ( 1.338 -0.000 -5.517) 5.677 7.541 ( 4.043 -0.000 -1.539) 4.326 7.585 ( 3.591 -0.000 7.162) 8.012 7.925 ( -4.240 0.000 -4.074) 5.880 8.053 ( -14.487 0.000 1.131) 14.531 8.250 ( 3.280 -0.000 -2.238) 3.971 8.283 ( -4.884 0.000 -2.849) 5.654 8.316 ( -5.095 0.000 -2.123) 5.520 8.706 ( 3.054 -0.000 0.469) 3.090 8.845 ( -0.621 0.000 1.329) 1.467 9.127 ( -12.590 0.000 4.496) 13.368 9.778 ( -17.141 0.000 1.557) 17.211 10.414 ( 12.380 -0.000 -11.374) 16.811 10.728 ( 17.604 -0.000 6.853) 18.891 11.092 ( -4.597 0.000 -6.451) 7.921 ======================= Grid point 335 (162/227) ======================= q-point: ( 0.30 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 4.111 1.293 -14.245) 14.883 3.155 ( 13.573 -4.211 -9.030) 16.838 3.691 ( -6.706 6.905 -4.060) 10.447 3.744 ( -4.012 1.829 0.912) 4.502 4.034 ( -17.833 4.358 -5.543) 19.176 4.103 ( 12.346 -5.223 -2.899) 13.715 4.309 ( 4.711 -1.695 -6.679) 8.347 4.750 ( 5.509 3.079 13.539) 14.938 5.106 ( 1.233 -0.423 1.851) 2.264 5.413 ( -7.724 1.877 1.107) 8.026 5.820 ( -6.768 0.850 -8.656) 11.021 6.564 ( -4.908 -0.456 -1.681) 5.208 6.661 ( -1.103 -0.356 1.948) 2.267 6.824 ( 5.992 -0.618 -0.432) 6.040 7.152 ( 0.865 3.187 1.383) 3.580 7.233 ( -0.140 -3.592 -1.855) 4.045 7.571 ( 3.949 4.191 -1.398) 5.926 7.679 ( 2.383 -4.115 -1.193) 4.902 7.761 ( -6.693 6.863 2.312) 9.861 7.911 ( -10.639 -6.974 2.494) 12.963 8.203 ( -1.683 1.345 -0.816) 2.304 8.252 ( -1.056 -2.694 -2.196) 3.633 8.346 ( 3.236 -2.792 2.906) 5.168 8.760 ( -0.130 6.044 -0.396) 6.059 8.806 ( 1.567 0.691 2.299) 2.867 9.016 ( -9.917 -9.724 5.582) 14.969 9.451 ( -23.890 -4.768 2.830) 24.525 10.469 ( 4.983 3.708 -17.818) 18.869 10.988 ( 12.089 2.754 2.942) 12.743 11.088 ( 9.092 2.647 -3.885) 10.236 ======================= Grid point 336 (163/227) ======================= q-point: (-0.60 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 10.521 5.903 -11.372) 16.579 3.233 ( -2.604 3.187 -9.386) 10.249 3.588 ( -0.062 1.675 4.539) 4.839 3.673 ( -4.927 0.121 -5.177) 7.148 3.735 ( -6.117 -0.351 -4.516) 7.611 4.157 ( -1.928 -9.864 0.387) 10.058 4.622 ( 25.490 -2.145 -12.592) 28.512 4.852 ( 4.398 6.136 10.416) 12.863 4.990 ( -7.272 14.255 -1.698) 16.092 5.337 ( -4.567 -3.596 5.886) 8.272 5.672 ( -6.971 -2.409 -6.462) 9.806 6.508 ( -1.904 -0.305 0.378) 1.965 6.664 ( -1.224 -0.681 4.774) 4.976 6.919 ( 4.862 -0.382 1.181) 5.018 7.108 ( -2.161 5.017 -1.516) 5.669 7.244 ( -0.846 -1.409 1.378) 2.144 7.557 ( 0.258 4.831 -1.797) 5.161 7.674 ( 1.070 1.187 1.493) 2.187 7.768 ( 3.161 -3.009 -1.066) 4.492 7.859 ( -5.471 -7.373 5.033) 10.470 8.194 ( 1.003 -1.101 -2.262) 2.708 8.261 ( -1.301 -5.614 -2.124) 6.141 8.438 ( 2.955 -0.451 5.005) 5.830 8.610 ( -5.945 8.648 1.792) 10.646 8.894 ( -0.952 -4.703 5.934) 7.631 8.990 ( -8.827 -5.437 4.702) 11.383 9.298 ( -4.662 -18.012 2.103) 18.724 10.336 ( -0.625 8.295 -18.454) 20.242 11.070 ( 4.448 8.163 -0.706) 9.323 11.223 ( 11.073 1.786 -5.896) 12.671 ======================= Grid point 337 (164/227) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 9.868 12.340 -0.538) 15.810 3.020 ( -8.395 12.432 2.508) 15.209 3.453 ( -5.109 -4.404 -14.944) 16.396 3.657 ( -1.743 -3.183 6.783) 7.693 3.877 ( 11.343 -7.515 -1.921) 13.742 4.301 ( 4.105 -15.795 1.525) 16.391 4.523 ( -13.751 19.542 -9.784) 25.821 4.903 ( 2.995 7.924 9.725) 12.897 5.034 ( 19.572 0.148 -11.008) 22.456 5.366 ( -1.865 -5.918 8.834) 10.795 5.581 ( -4.708 -5.253 -4.566) 8.403 6.523 ( 2.521 0.358 3.421) 4.265 6.687 ( -0.810 -0.487 5.813) 5.889 6.976 ( 0.969 4.670 2.775) 5.518 7.027 ( -0.342 0.526 -0.413) 0.751 7.242 ( -0.896 -0.318 0.499) 1.074 7.498 ( -1.330 3.064 -1.643) 3.723 7.722 ( 3.820 1.294 1.557) 4.324 7.787 ( -3.959 -1.595 6.904) 8.117 7.959 ( 3.764 -9.193 -1.190) 10.005 8.209 ( 1.234 -1.047 -3.491) 3.847 8.292 ( -0.754 -6.027 1.467) 6.249 8.435 ( -3.867 2.377 -3.088) 5.490 8.559 ( 4.458 1.518 8.651) 9.850 8.901 ( -7.429 -5.746 8.724) 12.818 8.952 ( -2.276 -5.652 -0.582) 6.121 9.586 ( 10.949 -20.811 4.108) 23.872 10.118 ( -2.830 11.039 -15.985) 19.631 10.977 ( -3.598 11.038 -3.479) 12.120 11.306 ( 6.781 1.369 -9.789) 11.987 ======================= Grid point 338 (165/227) ======================= q-point: (-0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -0.549 11.267 7.476) 13.533 2.812 ( -4.942 19.497 12.167) 23.508 3.466 ( 8.166 -10.364 -13.198) 18.662 3.716 ( -1.217 -6.194 5.615) 8.449 3.905 ( -11.943 22.851 0.010) 25.783 4.231 ( 5.249 -5.554 -5.090) 9.182 4.558 ( 4.078 -19.522 3.738) 20.291 4.920 ( 0.481 4.455 6.819) 8.159 5.154 ( 5.145 0.193 -9.844) 11.109 5.505 ( 2.081 -10.195 1.634) 10.533 5.593 ( 6.054 -3.039 -2.100) 7.091 6.597 ( 3.132 3.060 6.448) 7.795 6.707 ( 0.545 -1.757 2.017) 2.730 6.936 ( -1.153 5.273 4.895) 7.286 7.072 ( 4.469 -0.345 1.855) 4.851 7.247 ( 1.114 0.120 0.342) 1.171 7.447 ( -1.217 1.153 -1.923) 2.551 7.751 ( 0.078 2.038 1.110) 2.322 7.788 ( -0.958 -0.623 5.664) 5.778 8.039 ( -5.912 -10.794 -0.526) 12.319 8.207 ( -0.743 -1.754 -2.312) 2.995 8.338 ( -2.975 0.192 -0.431) 3.012 8.405 ( 8.239 0.540 2.474) 8.620 8.730 ( 12.357 -0.582 3.113) 12.756 8.901 ( -4.443 -5.302 5.704) 8.966 9.003 ( 1.716 -6.063 1.752) 6.540 9.824 ( -2.854 4.834 -11.654) 12.936 10.030 ( 9.354 -11.770 3.337) 15.401 10.732 ( -9.549 11.632 -6.296) 16.314 11.316 ( 2.061 -2.330 -10.847) 11.284 ======================= Grid point 339 (166/227) ======================= q-point: (-0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -3.769 6.862 16.559) 18.316 2.625 ( -4.372 20.251 11.991) 23.938 3.431 ( -12.226 18.817 -4.232) 22.835 3.706 ( 12.543 -3.588 -0.336) 13.050 3.793 ( -1.383 -7.908 6.266) 10.184 4.375 ( 3.740 -3.819 -1.677) 5.602 4.740 ( -5.240 -13.363 2.272) 14.532 4.931 ( -0.181 -1.958 6.566) 6.854 5.220 ( 8.525 -5.921 -7.955) 13.077 5.585 ( -1.668 -12.167 -3.438) 12.753 5.761 ( 9.941 -0.388 -1.417) 10.049 6.602 ( -0.992 1.751 2.701) 3.368 6.769 ( 2.633 0.665 2.353) 3.594 6.895 ( -1.874 3.818 5.352) 6.836 7.210 ( 8.091 -0.375 0.852) 8.144 7.266 ( 3.569 0.419 1.454) 3.877 7.421 ( -0.191 0.288 -2.101) 2.129 7.739 ( -0.127 -0.146 0.886) 0.907 7.804 ( 0.440 3.557 4.646) 5.867 7.968 ( -8.219 -2.752 -3.448) 9.328 8.214 ( 0.525 -3.899 -1.272) 4.134 8.306 ( -2.082 -3.870 -1.359) 4.600 8.563 ( 8.873 1.904 4.134) 9.972 8.853 ( -0.149 -0.846 -0.434) 0.963 9.018 ( 11.848 -1.363 0.545) 11.939 9.126 ( 5.329 -5.160 6.239) 9.692 9.628 ( -3.940 7.491 -8.773) 12.191 10.177 ( -8.783 2.428 0.134) 9.113 10.522 ( 0.493 -1.798 -5.131) 5.459 11.329 ( -0.988 -11.103 -6.335) 12.821 ======================= Grid point 340 (167/227) ======================= q-point: (-0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -6.496 11.983 18.693) 23.135 2.505 ( 3.301 14.571 18.481) 23.764 3.166 ( -3.448 6.085 -3.131) 7.663 3.787 ( -7.605 -7.832 3.389) 11.431 3.971 ( 7.708 -2.635 4.690) 9.400 4.378 ( -0.879 -0.716 -3.325) 3.513 4.701 ( -1.927 7.160 2.900) 7.961 5.048 ( -1.894 -17.842 2.635) 18.135 5.381 ( 5.100 -7.746 -4.984) 10.528 5.645 ( -3.340 -11.870 -2.601) 12.603 5.855 ( 4.621 1.204 -2.783) 5.527 6.602 ( 1.149 -0.465 -0.901) 1.532 6.779 ( 0.328 2.992 2.528) 3.931 6.876 ( -0.239 2.753 3.655) 4.582 7.206 ( -0.827 0.876 -2.437) 2.718 7.391 ( -0.962 2.716 -1.748) 3.371 7.430 ( 1.067 -5.713 2.147) 6.196 7.742 ( -3.310 5.706 1.825) 6.844 7.789 ( 9.604 4.890 -0.744) 10.803 7.892 ( 3.651 2.675 -4.314) 6.253 8.297 ( 4.619 -2.279 -1.657) 5.410 8.324 ( -1.860 -12.120 -0.324) 12.266 8.666 ( 5.014 3.228 1.306) 6.105 8.860 ( 1.963 0.433 -0.825) 2.173 9.107 ( -0.684 -2.081 -2.725) 3.496 9.335 ( 6.402 -2.252 0.486) 6.804 9.504 ( 3.073 6.893 2.584) 7.977 9.871 ( -12.021 11.318 -4.974) 17.244 10.583 ( -0.603 -6.846 -1.510) 7.037 11.421 ( -3.437 -18.289 0.087) 18.609 ======================= Grid point 341 (168/227) ======================= q-point: (-0.10 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 2.070 9.243 16.658) 19.162 2.608 ( 8.535 13.753 21.854) 27.196 3.136 ( -0.964 -5.690 -0.622) 5.805 3.698 ( -10.649 -7.242 -2.123) 13.052 4.044 ( -1.041 -2.689 -0.747) 2.979 4.405 ( 0.322 -3.197 -1.329) 3.477 4.637 ( 6.217 15.348 6.341) 17.732 5.154 ( -9.322 -18.107 1.638) 20.432 5.406 ( -5.661 -5.413 -7.130) 10.592 5.632 ( -5.215 -2.738 0.532) 5.914 5.914 ( 3.711 -4.541 -3.249) 6.704 6.622 ( 1.486 -0.550 -2.190) 2.703 6.798 ( 3.593 2.208 2.717) 5.016 6.869 ( -0.054 1.581 0.696) 1.728 7.195 ( 1.033 -1.588 -3.077) 3.613 7.325 ( -1.343 4.008 -1.979) 4.668 7.332 ( -12.497 -1.542 -1.238) 12.652 7.665 ( 0.784 10.691 3.265) 11.206 7.927 ( 4.118 -0.332 -5.680) 7.024 7.977 ( 16.090 3.389 -3.407) 16.792 8.326 ( 1.411 -3.219 -4.517) 5.723 8.474 ( 2.821 -7.184 2.088) 7.996 8.709 ( 0.993 -3.670 -1.514) 4.093 8.855 ( -1.997 2.109 -3.706) 4.708 9.048 ( -6.200 -1.174 -0.173) 6.312 9.268 ( -3.164 1.221 -4.600) 5.715 9.632 ( -0.503 9.900 -2.065) 10.126 9.707 ( 15.450 4.671 8.253) 18.128 10.592 ( -5.215 -6.612 -0.152) 8.423 11.499 ( -9.178 -17.002 1.800) 19.405 ======================= Grid point 345 (169/227) ======================= q-point: (-0.70 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 13.032 -0.000 -10.816) 16.936 3.239 ( 4.830 -0.000 -14.867) 15.632 3.615 ( -2.617 0.000 -8.745) 9.128 3.670 ( -7.858 0.000 7.752) 11.038 3.765 ( -9.227 0.000 -3.922) 10.026 4.039 ( -6.473 0.000 -0.699) 6.511 4.603 ( 29.028 -0.000 -12.159) 31.472 4.920 ( 0.808 -0.000 12.220) 12.246 5.130 ( 0.094 -0.000 1.808) 1.810 5.313 ( -6.148 0.000 3.857) 7.257 5.638 ( -9.636 0.000 -8.722) 12.997 6.506 ( -1.382 0.000 0.344) 1.425 6.656 ( -1.651 0.000 5.440) 5.685 6.912 ( 4.831 -0.000 0.971) 4.927 7.180 ( -1.951 0.000 -2.026) 2.813 7.214 ( 0.852 -0.000 3.661) 3.759 7.651 ( 0.548 -0.000 -4.196) 4.232 7.667 ( 2.450 -0.000 -1.154) 2.708 7.729 ( -2.046 0.000 3.378) 3.949 7.757 ( -4.567 0.000 5.605) 7.230 8.171 ( -0.021 0.000 -4.450) 4.450 8.219 ( -1.157 0.000 -0.717) 1.361 8.434 ( 3.511 -0.000 6.112) 7.049 8.798 ( -13.341 0.000 10.835) 17.187 8.810 ( -1.449 0.000 -1.557) 2.126 8.882 ( 1.548 -0.000 9.379) 9.506 9.118 ( -8.173 0.000 -4.833) 9.495 10.414 ( -0.391 0.000 -18.657) 18.661 11.160 ( 6.614 -0.000 -2.345) 7.017 11.227 ( 8.725 -0.000 -4.570) 9.849 ======================= Grid point 347 (170/227) ======================= q-point: (-0.60 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 17.845 7.397 -1.690) 19.391 3.103 ( -5.791 -1.792 -20.074) 20.969 3.483 ( -5.766 5.768 -3.939) 9.057 3.606 ( -6.443 -1.811 9.293) 11.452 3.791 ( 10.207 -0.335 -0.400) 10.221 4.020 ( -2.272 -12.877 1.124) 13.124 4.817 ( -4.970 11.287 -6.741) 14.055 4.959 ( 12.857 -2.655 -14.403) 19.488 5.138 ( 8.183 7.355 8.147) 13.691 5.295 ( -4.339 0.249 10.470) 11.336 5.468 ( -7.531 -6.793 -5.959) 11.763 6.527 ( 3.214 0.050 2.207) 3.900 6.683 ( -0.417 0.087 9.744) 9.753 6.984 ( 3.029 -0.681 1.533) 3.463 7.103 ( -3.909 4.071 0.784) 5.698 7.237 ( -0.026 -0.438 1.118) 1.201 7.572 ( -3.535 5.028 -0.210) 6.150 7.678 ( -2.060 -5.805 1.084) 6.254 7.759 ( -1.585 -1.427 7.334) 7.637 7.842 ( 6.214 -2.480 0.760) 6.733 8.179 ( -4.171 -1.883 0.207) 4.581 8.205 ( 7.318 -1.932 -3.590) 8.377 8.459 ( -2.861 0.468 -1.404) 3.221 8.648 ( -2.824 6.773 12.310) 14.331 8.810 ( -4.121 -5.364 2.457) 7.197 8.874 ( -3.445 -2.146 3.883) 5.617 9.279 ( 15.801 -10.251 0.699) 18.848 10.262 ( -3.325 4.205 -17.140) 17.959 11.144 ( -1.626 6.316 -6.909) 9.502 11.298 ( 2.964 -1.743 -7.565) 8.309 ======================= Grid point 348 (171/227) ======================= q-point: (-0.50 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -2.298 11.876 -8.932) 15.037 3.109 ( 8.208 6.168 7.922) 12.968 3.340 ( 3.736 3.336 -9.150) 10.431 3.607 ( -4.378 -4.878 9.898) 11.872 3.997 ( 10.316 -5.730 0.311) 11.805 4.186 ( 0.705 -19.842 3.315) 20.129 4.453 ( -12.847 21.557 -6.449) 25.910 4.984 ( 1.835 1.493 -7.822) 8.172 5.201 ( -6.226 1.017 4.329) 7.651 5.326 ( 3.459 -5.522 -1.553) 6.698 5.535 ( 10.680 -3.758 -0.539) 11.335 6.631 ( 7.303 -0.311 3.825) 8.250 6.713 ( -1.843 3.434 8.914) 9.729 7.024 ( -3.042 3.760 4.353) 6.507 7.049 ( 3.641 -1.336 2.241) 4.479 7.254 ( 1.988 0.016 0.102) 1.991 7.474 ( -4.028 2.029 -0.517) 4.540 7.686 ( -7.103 -8.777 2.838) 11.643 7.807 ( 2.452 0.535 3.766) 4.526 7.891 ( -2.646 -1.562 2.907) 4.230 8.152 ( -1.914 -3.772 -0.086) 4.231 8.363 ( 2.473 2.292 1.623) 3.742 8.425 ( 9.711 0.777 -2.544) 10.069 8.719 ( 8.774 -0.436 6.501) 10.929 8.811 ( -3.617 -4.769 2.037) 6.322 8.919 ( 3.375 -2.589 4.229) 5.998 9.650 ( 13.154 -13.332 1.634) 18.800 10.064 ( -2.933 6.333 -12.795) 14.574 10.930 ( -9.633 9.259 -10.046) 16.717 11.264 ( -3.567 -3.391 -10.657) 11.739 ======================= Grid point 349 (172/227) ======================= q-point: (-0.40 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -5.415 3.688 -3.295) 7.334 3.025 ( -1.249 22.913 8.554) 24.490 3.533 ( 9.670 -4.797 -0.361) 10.800 3.665 ( -0.603 -4.662 10.452) 11.460 3.940 ( -7.838 22.810 -2.748) 24.275 4.269 ( 5.591 -5.476 -1.895) 8.052 4.388 ( -3.283 -21.866 5.467) 22.777 4.949 ( 0.463 1.674 -4.706) 5.016 5.169 ( -0.691 -5.200 2.462) 5.794 5.376 ( -0.620 -6.797 -5.305) 8.645 5.749 ( 11.895 -1.041 -1.839) 12.081 6.664 ( -2.945 5.049 5.274) 7.873 6.777 ( 6.924 0.336 3.520) 7.775 6.973 ( -2.501 4.103 5.728) 7.477 7.166 ( 6.088 -3.325 2.501) 7.374 7.271 ( -2.125 -0.029 1.929) 2.870 7.434 ( 1.513 0.531 -0.747) 1.769 7.670 ( -5.378 -10.232 0.214) 11.561 7.851 ( 0.275 -1.578 0.820) 1.799 7.867 ( -1.390 2.218 5.047) 5.685 8.173 ( 1.406 -1.625 -1.330) 2.527 8.320 ( -0.293 3.158 -3.633) 4.823 8.598 ( 10.477 1.779 2.956) 11.030 8.799 ( -4.081 -4.376 1.067) 6.078 8.989 ( 15.763 -1.709 1.936) 15.973 9.054 ( 7.373 -2.678 8.086) 11.266 9.735 ( -4.439 2.041 -10.356) 11.450 10.094 ( 6.340 -6.277 3.486) 9.579 10.601 ( -11.305 7.532 -12.455) 18.430 11.153 ( -8.244 -7.895 -10.157) 15.279 ======================= Grid point 350 (173/227) ======================= q-point: (-0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -2.790 -2.531 7.462) 8.358 2.827 ( -4.687 21.465 12.278) 25.168 3.463 ( 0.433 22.268 -9.951) 24.394 3.637 ( -9.485 -7.127 9.583) 15.251 3.953 ( 9.023 0.543 6.268) 11.000 4.299 ( -7.056 -7.570 -0.312) 10.353 4.588 ( 2.156 -18.138 1.973) 18.372 4.922 ( 0.461 2.844 -0.358) 2.904 5.302 ( 8.212 -3.810 0.852) 9.093 5.388 ( -3.892 -12.917 -7.072) 15.232 5.873 ( 4.710 0.577 -3.038) 5.634 6.624 ( 0.411 2.991 2.259) 3.771 6.847 ( 2.220 4.164 3.844) 6.086 6.938 ( -1.454 3.581 4.276) 5.764 7.215 ( -5.877 -1.118 1.550) 6.180 7.288 ( 2.888 -4.226 -0.515) 5.144 7.463 ( 0.899 0.979 0.910) 1.611 7.709 ( -4.278 -10.361 1.999) 11.386 7.859 ( 5.062 2.667 -1.884) 6.024 7.919 ( 8.076 1.717 -0.023) 8.257 8.200 ( 1.862 -0.367 -2.221) 2.922 8.288 ( 2.608 0.947 -4.507) 5.293 8.719 ( 1.421 2.721 2.581) 4.010 8.811 ( 2.771 -5.784 0.335) 6.422 9.098 ( 0.426 1.226 0.519) 1.398 9.305 ( 8.519 -1.089 0.791) 8.624 9.623 ( 3.566 4.900 0.073) 6.061 10.045 ( -10.672 6.751 -3.784) 13.183 10.460 ( -0.642 -5.782 -6.483) 8.711 11.089 ( -7.529 -16.317 -3.546) 18.317 ======================= Grid point 351 (174/227) ======================= q-point: (-0.20 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 0.343 4.904 14.427) 15.241 2.696 ( -5.370 3.355 19.922) 20.904 3.291 ( 10.546 20.882 -11.195) 25.935 3.575 ( -10.455 -5.898 3.050) 12.385 4.000 ( -4.095 -1.975 -1.580) 4.813 4.294 ( -3.894 -8.459 1.600) 9.448 4.775 ( -0.313 -15.852 1.492) 15.925 4.910 ( 1.914 6.352 4.688) 8.124 5.329 ( -2.372 -3.049 -9.717) 10.457 5.507 ( 2.084 -9.751 1.902) 10.151 5.868 ( -1.073 -0.501 -4.709) 4.856 6.639 ( 2.781 2.240 -0.091) 3.572 6.857 ( 2.469 4.507 3.044) 5.972 6.901 ( -2.293 1.794 3.460) 4.522 7.154 ( -4.297 -3.026 0.731) 5.307 7.309 ( -1.965 0.707 -0.623) 2.179 7.402 ( -4.443 2.435 -3.275) 6.033 7.761 ( 1.492 -1.735 3.477) 4.163 7.897 ( 1.983 -0.859 -4.241) 4.760 8.083 ( 13.863 4.850 -3.520) 15.103 8.237 ( 2.249 -5.703 -1.993) 6.446 8.354 ( 7.793 -2.329 -4.419) 9.256 8.674 ( -5.336 -1.449 0.117) 5.530 8.893 ( -2.199 0.843 -0.511) 2.409 9.025 ( -4.925 -0.095 -0.732) 4.980 9.270 ( -3.726 -0.466 -6.677) 7.660 9.807 ( 16.065 5.459 10.122) 19.757 9.828 ( -1.519 10.084 -5.222) 11.457 10.451 ( -5.278 -8.586 -3.548) 10.685 11.148 ( -7.902 -19.631 2.485) 21.307 ======================= Grid point 352 (175/227) ======================= q-point: (-0.10 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 3.228 8.626 16.429) 18.834 2.792 ( -3.273 -7.328 21.090) 22.565 3.263 ( 12.698 12.153 -12.184) 21.387 3.504 ( 0.675 -2.434 -6.294) 6.782 3.940 ( -5.525 -6.165 -2.378) 8.613 4.275 ( -9.317 -7.620 1.236) 12.100 4.825 ( -13.730 -14.228 2.323) 19.908 4.943 ( 9.106 10.640 5.459) 15.031 5.228 ( -5.326 -0.251 -10.459) 11.740 5.563 ( -2.580 -2.110 1.869) 3.821 5.856 ( -0.485 -7.027 -4.896) 8.578 6.650 ( 1.797 2.594 -0.809) 3.258 6.835 ( -3.538 -0.950 -2.326) 4.339 6.909 ( 1.631 4.411 5.184) 6.999 7.157 ( 0.899 -4.415 0.242) 4.512 7.223 ( -2.700 4.935 -2.063) 5.992 7.318 ( -1.218 1.224 -2.572) 3.098 7.780 ( 0.895 6.530 3.012) 7.247 7.884 ( -1.443 -1.943 -5.555) 6.059 8.190 ( 8.141 3.415 -4.283) 9.812 8.335 ( 5.885 -3.321 -5.499) 8.712 8.452 ( -2.796 -5.791 -4.752) 7.996 8.578 ( -6.292 -0.999 -1.524) 6.551 8.750 ( -7.009 -0.011 1.407) 7.149 8.929 ( -10.144 0.498 1.799) 10.314 9.310 ( 8.656 -4.560 -4.960) 10.970 9.731 ( 5.018 10.741 -4.778) 12.782 10.081 ( 16.875 4.928 11.161) 20.824 10.422 ( -5.996 -7.913 -2.815) 10.320 11.169 ( -12.799 -16.708 2.456) 21.190 ======================= Grid point 357 (176/227) ======================= q-point: (-0.60 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -9.405 0.000 -25.910) 27.564 3.066 ( 22.481 -0.000 8.989) 24.211 3.513 ( 3.097 -0.000 0.499) 3.137 3.557 ( -4.714 0.000 10.674) 11.668 3.895 ( -4.564 0.000 4.836) 6.650 3.969 ( 10.223 -0.000 0.398) 10.230 4.715 ( -10.983 0.000 -0.168) 10.984 4.976 ( 6.647 -0.000 -24.725) 25.603 5.121 ( -17.286 0.000 3.494) 17.635 5.367 ( -0.363 0.000 8.906) 8.913 5.472 ( 17.791 -0.000 -2.280) 17.936 6.621 ( 6.938 -0.000 2.137) 7.259 6.764 ( 0.737 -0.000 14.427) 14.446 7.023 ( -0.074 0.000 0.818) 0.821 7.075 ( -1.176 0.000 3.933) 4.105 7.246 ( 0.814 -0.000 0.649) 1.041 7.536 ( -6.943 0.000 -0.795) 6.988 7.540 ( -7.054 0.000 2.442) 7.464 7.807 ( 0.954 -0.000 8.929) 8.980 7.902 ( 1.759 -0.000 -0.503) 1.830 8.108 ( -1.973 0.000 1.677) 2.590 8.405 ( -1.680 0.000 -1.575) 2.303 8.417 ( 18.454 -0.000 -0.441) 18.459 8.728 ( 0.003 -0.000 8.801) 8.801 8.745 ( 0.401 -0.000 -0.528) 0.663 8.898 ( 4.135 -0.000 5.033) 6.514 9.516 ( 16.341 -0.000 1.569) 16.417 10.127 ( -3.994 0.000 -14.344) 14.890 11.031 ( -9.415 0.000 -13.541) 16.492 11.217 ( -5.710 0.000 -8.161) 9.960 ======================= Grid point 359 (177/227) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -7.142 1.619 -20.931) 22.176 3.401 ( 6.601 6.671 11.001) 14.460 3.486 ( 0.435 11.304 6.682) 13.139 3.625 ( 9.569 -0.491 11.063) 14.635 3.974 ( -3.074 -20.882 6.661) 22.134 4.104 ( 3.327 -2.443 -0.259) 4.135 4.448 ( -7.945 20.453 -3.561) 22.229 4.920 ( -9.774 -17.162 -7.232) 21.033 4.975 ( 2.532 0.624 -11.166) 11.466 5.382 ( -0.396 2.473 5.007) 5.599 5.727 ( 13.771 -1.017 -2.600) 14.051 6.746 ( 4.925 1.544 1.139) 5.286 6.814 ( 1.052 4.734 11.657) 12.626 7.002 ( -3.563 -1.873 4.662) 6.159 7.137 ( 5.370 1.008 3.169) 6.317 7.254 ( -3.399 -1.780 3.131) 4.952 7.434 ( -1.841 -0.554 0.291) 1.945 7.479 ( -7.340 -6.494 0.904) 9.842 7.871 ( 2.891 1.620 5.941) 6.803 7.906 ( 1.235 1.332 -0.745) 1.963 8.140 ( 2.901 -1.409 0.684) 3.297 8.384 ( 1.198 2.870 -2.504) 3.992 8.596 ( 4.414 -1.922 -3.273) 5.821 8.763 ( 0.480 1.114 2.824) 3.074 8.936 ( 18.463 -3.457 8.467) 20.604 9.029 ( 6.759 -0.348 7.061) 9.781 9.690 ( 0.969 -3.638 -7.004) 7.952 10.060 ( 5.685 0.810 -2.885) 6.426 10.715 ( -15.799 3.846 -16.852) 23.417 11.047 ( -10.878 -3.356 -9.342) 14.727 ======================= Grid point 360 (178/227) ======================= q-point: (-0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -3.067 -2.993 -11.285) 12.071 3.252 ( -5.712 24.113 9.762) 26.633 3.486 ( -8.703 -5.634 13.860) 17.309 3.873 ( 11.075 10.941 5.297) 16.444 4.033 ( -0.712 10.441 -1.426) 10.562 4.109 ( -10.799 -13.663 5.364) 18.223 4.281 ( 2.605 -8.019 -2.530) 8.803 4.972 ( 5.113 -0.263 -7.347) 8.955 4.995 ( -0.002 -19.917 -7.098) 21.144 5.383 ( 1.942 3.265 2.052) 4.318 5.875 ( 5.883 -0.258 -3.580) 6.892 6.713 ( -0.660 6.522 3.712) 7.533 6.909 ( 3.604 1.549 5.955) 7.131 6.986 ( -2.052 1.208 3.558) 4.281 7.176 ( -4.942 -0.613 4.256) 6.551 7.266 ( 4.379 -0.358 0.391) 4.411 7.444 ( -3.388 -4.957 1.600) 6.214 7.476 ( -1.458 -8.964 2.352) 9.381 7.898 ( 2.339 1.874 -2.808) 4.107 7.976 ( 9.033 3.215 1.774) 9.751 8.202 ( 3.318 -0.288 -0.068) 3.332 8.348 ( 2.621 5.011 -6.101) 8.319 8.662 ( -2.114 -8.446 -0.943) 8.758 8.781 ( 4.376 2.832 0.883) 5.287 9.133 ( 2.125 2.013 5.024) 5.814 9.295 ( 12.186 -0.007 5.825) 13.506 9.636 ( 0.761 -3.621 -5.010) 6.228 10.125 ( -3.799 3.333 0.872) 5.128 10.381 ( -8.621 -3.425 -14.330) 17.071 10.875 ( -8.522 -6.577 -6.758) 12.710 ======================= Grid point 361 (179/227) ======================= q-point: (-0.30 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 1.528 -8.913 0.201) 9.045 2.966 ( -11.937 20.043 15.558) 28.040 3.447 ( -9.756 -3.939 8.111) 13.284 3.777 ( 10.581 26.245 -6.219) 28.973 3.961 ( -9.438 -3.428 -2.888) 10.448 4.132 ( -3.058 -7.447 5.564) 9.786 4.428 ( -2.575 -18.575 0.917) 18.775 5.018 ( 7.885 2.874 -7.483) 11.244 5.160 ( -0.366 -16.394 -2.077) 16.529 5.429 ( 6.362 1.940 0.738) 6.692 5.872 ( -2.382 0.505 -5.391) 5.915 6.697 ( 2.239 3.694 1.653) 4.625 6.923 ( -4.692 0.843 3.588) 5.966 6.963 ( 2.664 6.228 3.972) 7.853 7.115 ( -4.594 -0.360 3.090) 5.548 7.338 ( 4.183 1.116 -0.994) 4.442 7.400 ( -6.500 -2.339 0.207) 6.912 7.619 ( 4.246 -10.648 3.458) 11.974 7.900 ( 1.781 0.961 -3.857) 4.356 8.111 ( 9.110 0.647 -0.745) 9.163 8.229 ( 1.790 2.287 -1.690) 3.360 8.363 ( 10.106 2.655 -9.490) 14.116 8.628 ( -7.900 -4.022 -0.064) 8.865 8.862 ( 1.959 -2.866 1.022) 3.619 9.075 ( -7.457 4.252 0.253) 8.588 9.273 ( -6.160 1.571 -7.275) 9.662 9.830 ( 10.455 -5.032 4.059) 12.293 9.987 ( 2.190 7.144 -0.336) 7.479 10.289 ( -7.786 -8.216 -5.004) 12.376 10.861 ( -2.396 -9.965 0.872) 10.286 ======================= Grid point 362 (180/227) ======================= q-point: (-0.20 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 5.853 -13.064 8.710) 16.757 2.734 ( -9.133 12.697 16.581) 22.794 3.352 ( -5.745 -0.337 -2.463) 6.260 3.707 ( 7.582 15.451 -7.602) 18.815 3.848 ( -3.057 -0.348 -1.449) 3.401 4.127 ( -8.146 -6.581 2.480) 10.762 4.518 ( -8.435 -17.962 1.761) 19.922 5.068 ( 4.803 1.489 -5.391) 7.372 5.227 ( 0.767 -1.200 -2.668) 3.025 5.524 ( 3.516 -1.001 0.325) 3.670 5.774 ( -4.713 -2.013 -6.204) 8.047 6.714 ( 2.344 2.428 0.331) 3.391 6.823 ( -5.608 1.755 -2.167) 6.262 6.992 ( 1.701 4.381 6.881) 8.333 7.102 ( 1.076 -1.152 1.944) 2.503 7.307 ( -3.676 -0.221 -4.991) 6.203 7.341 ( -0.714 5.038 1.361) 5.267 7.792 ( 3.832 -5.498 3.542) 7.580 7.880 ( 0.277 1.330 -5.416) 5.584 8.225 ( -0.142 -2.154 -0.743) 2.283 8.249 ( 7.259 -0.783 -1.287) 7.413 8.413 ( 0.494 0.306 -13.945) 13.957 8.548 ( -1.794 -2.194 0.756) 2.934 8.785 ( -10.332 3.196 1.196) 10.881 8.918 ( -8.486 -1.467 -0.586) 8.632 9.215 ( 3.206 -5.142 -6.363) 8.787 9.905 ( 5.887 6.290 -7.467) 11.401 10.126 ( 5.444 -5.493 5.448) 9.460 10.270 ( 1.685 -3.211 3.698) 5.180 10.911 ( -6.269 -9.533 4.934) 12.431 ======================= Grid point 363 (181/227) ======================= q-point: (-0.10 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -8.420 3.515 6.691) 11.315 2.889 ( 14.273 -10.160 12.107) 21.296 3.273 ( 1.333 -0.118 -11.686) 11.762 3.632 ( -5.658 -2.426 0.939) 6.227 3.866 ( 5.587 3.553 -0.782) 6.667 4.057 ( -4.549 -1.767 0.397) 4.896 4.511 ( -10.432 -12.056 1.198) 15.988 5.056 ( -2.590 0.060 -5.917) 6.459 5.183 ( 0.576 7.308 -5.555) 9.197 5.519 ( -2.800 1.295 0.445) 3.117 5.752 ( -0.447 -7.333 -3.564) 8.165 6.701 ( -1.498 4.292 -2.459) 5.168 6.737 ( -1.915 -2.168 -0.905) 3.031 6.963 ( -2.416 5.383 0.482) 5.920 7.195 ( 4.414 -2.209 -2.671) 5.612 7.235 ( 0.302 3.671 1.965) 4.175 7.294 ( -0.987 -0.056 1.135) 1.505 7.787 ( -3.639 1.909 -2.950) 5.059 7.890 ( 2.424 3.645 1.045) 4.501 8.144 ( -14.116 -7.452 -2.060) 16.095 8.288 ( 3.299 2.539 -4.432) 6.080 8.392 ( 4.133 -0.357 -9.195) 10.088 8.571 ( 0.848 -1.253 -0.925) 1.774 8.665 ( -3.759 0.465 1.322) 4.012 8.793 ( -7.256 -0.565 2.834) 7.810 9.319 ( 2.322 -7.243 -2.421) 7.982 9.901 ( 6.870 8.092 -3.828) 11.284 10.222 ( -1.151 -13.198 -9.518) 16.313 10.438 ( 11.283 4.194 13.923) 18.405 10.880 ( -9.487 -7.617 3.192) 12.579 ======================= Grid point 369 (182/227) ======================= q-point: ( 0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -3.114 0.000 -19.296) 19.546 3.427 ( -11.458 0.000 20.194) 23.218 3.657 ( 0.154 0.000 1.096) 1.107 3.748 ( -10.816 -0.000 13.422) 17.238 3.931 ( 13.048 -0.000 8.612) 15.634 4.119 ( 1.058 0.000 -1.256) 1.642 4.544 ( 0.944 -0.000 -0.145) 0.955 4.558 ( -7.834 0.000 -10.930) 13.448 4.994 ( 8.135 0.000 -15.079) 17.133 5.417 ( 0.885 -0.000 4.306) 4.396 5.871 ( 6.533 0.000 -3.843) 7.579 6.816 ( -0.570 0.000 -0.928) 1.089 6.886 ( -1.214 -0.000 11.314) 11.379 6.996 ( 3.064 0.000 3.466) 4.626 7.190 ( -4.594 -0.000 4.996) 6.788 7.258 ( 2.681 0.000 2.793) 3.871 7.330 ( -1.317 0.000 0.939) 1.617 7.441 ( -1.871 0.000 2.131) 2.836 7.918 ( 1.368 0.000 -2.934) 3.238 8.009 ( 9.208 0.000 1.743) 9.371 8.197 ( 4.106 0.000 0.922) 4.208 8.425 ( 3.380 0.000 -4.240) 5.422 8.549 ( -2.383 -0.000 -3.332) 4.096 8.814 ( 2.823 0.000 -0.935) 2.974 9.154 ( 2.495 0.000 6.708) 7.157 9.299 ( 17.086 0.000 13.622) 21.851 9.575 ( -3.466 0.000 -11.090) 11.619 10.169 ( 3.590 0.000 3.503) 5.016 10.338 ( -18.194 0.000 -19.074) 26.360 10.824 ( -7.143 0.000 -7.685) 10.492 ======================= Grid point 371 (183/227) ======================= q-point: (-0.40 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 1.964 -3.684 -10.981) 11.748 3.264 ( -23.241 6.478 26.608) 35.917 3.478 ( -2.050 12.837 2.004) 13.153 3.793 ( -9.699 -15.236 2.174) 18.192 4.040 ( -3.599 0.059 0.269) 3.609 4.147 ( 0.256 -6.241 -0.580) 6.273 4.309 ( 6.510 23.568 -3.812) 24.745 4.774 ( 4.283 -22.871 -3.919) 23.596 5.062 ( 9.646 0.641 -9.475) 13.537 5.471 ( 4.503 1.537 2.284) 5.278 5.878 ( -2.040 0.100 -6.132) 6.463 6.751 ( -3.444 1.606 0.198) 3.805 6.944 ( 0.296 1.519 8.629) 8.767 7.056 ( 2.717 3.033 1.061) 4.208 7.141 ( -3.231 2.737 4.088) 5.886 7.263 ( -1.384 -6.920 1.170) 7.153 7.401 ( 0.014 1.923 2.039) 2.803 7.473 ( 6.274 -4.748 2.249) 8.183 7.920 ( 1.762 0.805 -3.618) 4.104 8.132 ( 6.086 0.929 -1.458) 6.327 8.271 ( 3.951 2.016 0.762) 4.500 8.427 ( 7.096 3.858 -9.602) 12.548 8.526 ( -4.560 -6.197 -2.118) 7.980 8.832 ( -0.499 -0.371 -0.480) 0.785 9.131 ( -6.489 1.408 1.439) 6.794 9.363 ( -8.400 8.719 -4.646) 12.968 9.622 ( 1.473 -14.515 -1.998) 14.725 10.091 ( 3.529 4.121 0.022) 5.426 10.184 ( -4.894 -3.541 0.163) 6.043 10.772 ( 2.494 -1.356 -2.695) 3.915 ======================= Grid point 372 (184/227) ======================= q-point: (-0.30 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 5.892 -9.286 -0.918) 11.036 2.968 ( -17.888 10.254 19.051) 28.073 3.383 ( -1.583 5.351 1.347) 5.740 3.705 ( -12.630 -5.573 -2.670) 14.061 3.937 ( -7.319 -1.623 -0.803) 7.540 4.181 ( -5.889 -10.785 -1.267) 12.354 4.270 ( 11.658 15.754 -0.302) 19.601 4.978 ( 4.935 -11.731 -9.402) 15.823 5.180 ( 6.200 -1.990 1.291) 6.638 5.545 ( 5.811 2.193 -1.082) 6.304 5.758 ( -7.067 -0.330 -7.458) 10.280 6.699 ( -3.242 -2.077 -0.588) 3.895 6.934 ( -0.813 7.623 2.231) 7.984 7.048 ( -0.957 1.849 3.072) 3.711 7.123 ( 2.244 2.597 3.096) 4.623 7.271 ( -3.745 -2.191 -1.228) 4.509 7.428 ( 3.248 2.485 1.209) 4.264 7.648 ( 6.269 -7.321 3.100) 10.125 7.914 ( 1.833 1.930 -4.606) 5.320 8.195 ( 3.598 -0.215 -1.760) 4.011 8.274 ( 0.820 2.755 0.909) 3.015 8.420 ( -6.875 -0.382 -10.251) 12.348 8.508 ( 5.998 -2.028 -6.256) 8.901 8.790 ( -8.123 -3.278 3.438) 9.410 8.946 ( -12.455 5.798 -4.299) 14.396 9.139 ( -3.494 -3.204 -6.836) 8.319 9.754 ( 0.581 -18.093 -7.477) 19.586 10.090 ( -1.047 3.386 -0.128) 3.547 10.306 ( 11.848 2.803 12.952) 17.776 10.826 ( 1.046 -1.101 2.681) 3.082 ======================= Grid point 373 (185/227) ======================= q-point: (-0.20 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 3.810 -10.436 3.081) 11.529 2.773 ( -5.934 1.979 8.627) 10.656 3.343 ( 4.415 6.069 -4.915) 8.971 3.527 ( -14.757 -5.821 4.861) 16.592 3.827 ( -10.510 -5.041 0.656) 11.675 4.202 ( 2.304 -3.446 -2.352) 4.766 4.326 ( 7.857 7.248 0.613) 10.707 5.039 ( 0.536 -2.237 -9.134) 9.419 5.241 ( -1.432 -0.746 -0.644) 1.738 5.579 ( 2.646 4.153 -3.655) 6.133 5.644 ( -3.096 -4.167 -4.047) 6.582 6.671 ( -3.265 -3.372 -2.026) 5.112 6.830 ( -1.969 8.010 -0.958) 8.304 7.030 ( -1.194 1.636 1.179) 2.344 7.189 ( 3.837 2.577 0.758) 4.684 7.224 ( -0.263 -2.312 -1.369) 2.700 7.399 ( -1.284 7.861 0.795) 8.005 7.778 ( -1.791 -4.666 1.234) 5.148 7.919 ( 5.339 0.856 -3.008) 6.187 8.071 ( -14.850 0.386 -1.996) 14.989 8.323 ( 3.305 1.078 -3.709) 5.084 8.364 ( 6.439 -2.772 -6.015) 9.237 8.526 ( -2.601 -2.220 -3.515) 4.904 8.705 ( -3.238 1.271 0.285) 3.490 8.748 ( -7.719 -2.754 0.919) 8.247 9.174 ( 2.823 -7.215 -3.092) 8.342 9.889 ( 1.150 -19.721 -11.939) 23.082 10.055 ( 2.906 6.758 -1.337) 7.477 10.519 ( 8.189 4.193 15.783) 18.269 10.829 ( -3.145 0.678 3.899) 5.054 ======================= Grid point 374 (186/227) ======================= q-point: (-0.10 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -6.347 1.800 -13.483) 15.011 2.962 ( 2.552 -20.363 8.071) 22.052 3.367 ( 8.031 5.522 0.428) 9.756 3.452 ( -7.019 -6.074 11.426) 14.721 3.729 ( -6.818 -5.690 -0.243) 8.884 4.286 ( 5.297 -4.276 -3.409) 7.614 4.389 ( 10.518 11.356 0.455) 15.485 4.918 ( -10.248 -0.750 -7.049) 12.461 5.158 ( -4.337 4.540 -7.773) 9.992 5.527 ( 0.507 5.241 -2.544) 5.847 5.680 ( 0.617 -6.307 -0.552) 6.361 6.623 ( -2.549 -1.041 -3.692) 4.606 6.749 ( -2.691 2.408 0.535) 3.651 6.979 ( -0.708 6.585 -1.443) 6.778 7.131 ( -4.040 -2.332 -6.460) 7.968 7.311 ( -2.024 5.410 3.974) 7.011 7.337 ( 6.560 -2.124 1.685) 7.098 7.727 ( -3.831 0.603 -2.139) 4.429 7.858 ( -9.853 -2.077 -2.306) 10.331 8.003 ( 4.652 1.206 1.879) 5.160 8.315 ( -4.813 0.566 -5.333) 7.206 8.369 ( 2.193 2.079 -0.145) 3.026 8.503 ( -2.939 -5.362 -4.729) 7.730 8.654 ( -0.760 3.079 -3.348) 4.611 8.799 ( 7.003 -2.157 6.132) 9.555 9.260 ( -0.600 -5.306 1.528) 5.554 9.995 ( -2.393 -12.283 -5.935) 13.851 10.039 ( 4.107 2.311 -6.799) 8.273 10.659 ( 1.850 1.498 14.197) 14.395 10.803 ( 2.667 0.636 -1.025) 2.928 ======================= Grid point 381 (187/227) ======================= q-point: ( 0.60 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 6.175 -0.000 -4.665) 7.739 3.059 ( -22.105 0.000 21.492) 30.831 3.527 ( -4.270 0.000 0.265) 4.278 3.582 ( -6.789 0.000 1.673) 6.993 3.928 ( -7.054 0.000 -1.998) 7.332 4.008 ( -9.288 0.000 -1.669) 9.436 4.597 ( 8.986 -0.000 -6.434) 11.052 4.731 ( 11.180 -0.000 -1.070) 11.231 5.165 ( 6.855 -0.000 -3.665) 7.774 5.569 ( 5.777 -0.000 -0.013) 5.777 5.754 ( -7.657 0.000 -8.487) 11.431 6.677 ( -4.512 0.000 -0.630) 4.556 7.017 ( -0.620 0.000 6.035) 6.067 7.069 ( -1.700 0.000 -0.326) 1.731 7.149 ( -1.841 0.000 4.051) 4.449 7.254 ( 4.883 -0.000 -2.319) 5.405 7.426 ( 1.810 -0.000 4.336) 4.699 7.588 ( 7.368 -0.000 0.870) 7.419 7.935 ( 2.272 -0.000 -3.980) 4.582 8.195 ( 4.372 -0.000 -2.432) 5.003 8.341 ( 1.510 -0.000 0.669) 1.652 8.381 ( -9.575 0.000 0.677) 9.599 8.489 ( 6.899 -0.000 -18.460) 19.707 8.748 ( -9.963 0.000 4.152) 10.794 9.057 ( -2.204 0.000 -0.369) 2.235 9.081 ( -19.977 0.000 -12.426) 23.526 9.541 ( 2.171 -0.000 -4.490) 4.988 10.125 ( 0.204 -0.000 -0.303) 0.365 10.334 ( 12.648 -0.000 13.647) 18.606 10.823 ( 3.260 -0.000 1.111) 3.444 ======================= Grid point 383 (188/227) ======================= q-point: (-0.30 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 7.188 -5.512 2.799) 9.481 2.831 ( -13.830 2.281 3.069) 14.349 3.433 ( -9.285 0.592 7.915) 12.215 3.473 ( -5.676 1.588 1.099) 5.996 3.795 ( -7.284 3.339 -0.910) 8.064 3.967 ( -1.822 -13.218 -0.346) 13.347 4.619 ( 11.457 14.274 -6.064) 19.282 4.955 ( 8.652 -6.674 -4.864) 11.961 5.202 ( -3.358 -1.884 0.537) 3.888 5.592 ( -4.743 -0.956 -6.406) 8.028 5.642 ( 4.446 1.560 -3.378) 5.798 6.624 ( -2.321 -1.427 -1.454) 3.088 6.950 ( -6.568 3.729 0.321) 7.559 7.040 ( -1.121 0.046 -0.619) 1.281 7.187 ( 3.476 -1.016 2.622) 4.471 7.285 ( 3.659 5.973 -3.338) 7.759 7.488 ( 0.632 -0.135 3.016) 3.085 7.683 ( 1.767 -2.335 0.715) 3.014 7.938 ( 0.761 0.691 -4.920) 5.027 8.131 ( -13.716 5.084 -1.573) 14.713 8.283 ( 1.944 -4.957 -4.088) 6.713 8.339 ( 3.427 -0.104 -6.057) 6.960 8.493 ( 1.475 -1.447 -9.225) 9.453 8.630 ( -9.023 -3.743 9.268) 13.465 8.792 ( -6.178 2.947 -5.346) 8.685 9.081 ( 2.998 -2.862 -1.446) 4.390 9.587 ( 2.048 -10.132 -9.754) 14.213 10.147 ( 3.901 2.702 -1.451) 4.963 10.576 ( 7.554 1.737 16.117) 17.884 10.854 ( -0.510 1.102 2.893) 3.138 ======================= Grid point 384 (189/227) ======================= q-point: (-0.20 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -3.837 -0.391 -8.429) 9.270 2.659 ( -5.357 -10.594 1.866) 12.017 3.328 ( -11.023 -3.606 17.429) 20.935 3.463 ( 1.903 0.465 2.324) 3.039 3.699 ( 2.155 3.495 -1.718) 4.451 4.109 ( 4.425 -10.960 0.378) 11.825 4.644 ( 10.430 11.163 -8.158) 17.319 4.938 ( -8.340 4.295 -3.382) 9.972 5.184 ( 0.603 -2.218 -2.454) 3.363 5.575 ( 0.077 -4.469 0.688) 4.522 5.640 ( 3.077 5.512 -7.528) 9.825 6.602 ( -0.769 -0.999 -2.804) 3.074 6.800 ( -7.105 2.655 -0.948) 7.644 7.029 ( -0.464 -1.438 -1.436) 2.085 7.182 ( -2.245 8.692 -5.037) 10.294 7.309 ( 5.582 -0.753 0.346) 5.643 7.436 ( -4.033 6.683 1.893) 8.032 7.674 ( -5.843 -5.528 1.201) 8.133 7.835 ( -5.566 0.328 -4.130) 6.938 8.044 ( 4.646 2.391 0.095) 5.226 8.292 ( -4.318 -10.036 -4.831) 11.946 8.323 ( -4.234 -0.269 -6.483) 7.748 8.471 ( 1.379 1.875 1.172) 2.606 8.693 ( 3.212 0.006 -0.848) 3.322 8.743 ( 5.104 -1.379 3.404) 6.288 9.176 ( 4.791 -3.175 2.535) 6.282 9.671 ( 1.953 -15.565 -13.941) 20.986 10.164 ( 3.175 5.613 -0.157) 6.450 10.708 ( 0.231 2.929 15.060) 15.344 10.830 ( -0.405 1.605 0.458) 1.717 ======================= Grid point 385 (190/227) ======================= q-point: (-0.10 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -8.882 -0.379 -15.635) 17.986 2.757 ( -10.676 -19.012 10.191) 24.068 3.347 ( -3.470 -3.413 17.567) 18.229 3.537 ( 3.939 -4.055 0.566) 5.681 3.809 ( 16.349 5.457 -0.273) 17.238 4.277 ( 3.586 -7.750 -0.043) 8.539 4.573 ( -4.902 -0.765 -13.481) 14.365 4.818 ( 6.572 13.156 3.664) 15.156 5.102 ( -4.357 8.944 -8.754) 13.252 5.581 ( 1.697 5.830 -4.312) 7.447 5.648 ( 1.750 -4.855 1.234) 5.306 6.587 ( 0.536 0.283 -2.579) 2.649 6.682 ( -6.520 -0.329 0.850) 6.584 6.981 ( -7.468 0.982 -6.312) 9.827 7.044 ( 1.071 3.345 -0.471) 3.543 7.341 ( -1.876 3.910 2.838) 5.183 7.405 ( 3.551 -1.453 -0.379) 3.856 7.656 ( -2.647 -2.574 -0.255) 3.701 7.765 ( 0.431 1.381 -1.854) 2.351 8.105 ( 3.915 2.520 1.239) 4.818 8.177 ( -7.987 -1.075 1.592) 8.214 8.346 ( 0.032 -9.199 -5.719) 10.832 8.495 ( 4.332 4.386 1.451) 6.333 8.643 ( -1.633 4.451 -5.594) 7.332 8.919 ( 6.808 -5.446 -1.250) 8.807 9.290 ( 2.636 2.735 10.994) 11.631 9.769 ( 1.270 -16.857 -14.398) 22.205 10.128 ( -0.822 9.828 4.490) 10.836 10.714 ( -2.246 0.865 7.688) 8.056 10.872 ( 5.643 -2.590 -2.542) 6.710 ======================= Grid point 393 (191/227) ======================= q-point: (-0.30 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 1.579 -0.000 8.420) 8.566 2.593 ( -13.137 0.000 -15.429) 20.264 3.296 ( -10.375 0.000 18.941) 21.596 3.453 ( -3.487 0.000 2.910) 4.541 3.782 ( 4.008 -0.000 -1.775) 4.384 3.965 ( 8.569 -0.000 1.254) 8.660 4.740 ( 1.450 -0.000 -14.611) 14.683 5.066 ( -7.797 0.000 2.587) 8.215 5.088 ( 10.420 -0.000 -0.650) 10.441 5.531 ( -0.452 0.000 -0.197) 0.493 5.695 ( 4.179 -0.000 -7.453) 8.545 6.592 ( 0.226 -0.000 -2.330) 2.341 6.827 ( -9.245 0.000 -1.453) 9.359 7.010 ( -1.562 0.000 -2.249) 2.738 7.279 ( 6.080 -0.000 1.925) 6.378 7.339 ( 0.054 -0.000 -8.759) 8.759 7.478 ( -2.888 0.000 4.318) 5.195 7.620 ( -9.980 0.000 -0.238) 9.983 7.849 ( -1.448 0.000 -2.623) 2.996 8.079 ( 2.281 -0.000 0.297) 2.300 8.139 ( -5.392 0.000 -8.822) 10.339 8.323 ( -5.935 0.000 -5.302) 7.958 8.494 ( 2.884 -0.000 3.091) 4.228 8.675 ( 8.690 -0.000 3.389) 9.328 8.752 ( 0.630 -0.000 -0.372) 0.732 9.147 ( 6.565 -0.000 2.688) 7.094 9.514 ( 2.927 -0.000 -14.630) 14.920 10.218 ( 3.693 -0.000 -0.458) 3.722 10.739 ( 0.817 -0.000 15.033) 15.055 10.846 ( -2.417 0.000 1.093) 2.653 ======================= Grid point 394 (192/227) ======================= q-point: (-0.20 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -13.725 0.894 -11.259) 17.774 2.490 ( -11.431 -8.632 12.677) 19.128 3.317 ( -0.253 -0.261 14.621) 14.625 3.469 ( 3.039 -2.597 2.528) 4.729 3.912 ( 15.011 4.957 0.859) 15.831 4.133 ( 2.596 -6.409 1.260) 7.029 4.566 ( -5.313 -0.068 -13.647) 14.645 5.035 ( 5.626 8.146 1.940) 10.088 5.212 ( 3.884 2.581 -3.149) 5.627 5.558 ( 0.977 -3.463 3.928) 5.327 5.682 ( 3.154 3.519 -10.772) 11.763 6.592 ( 1.474 0.233 -2.758) 3.136 6.675 ( -8.728 -0.297 -0.025) 8.733 6.957 ( -4.474 -1.183 -4.356) 6.355 7.163 ( -7.210 5.633 -5.174) 10.511 7.375 ( 4.585 -0.247 -1.497) 4.830 7.431 ( -2.872 4.325 3.757) 6.409 7.563 ( -2.120 -6.421 1.600) 6.948 7.849 ( 4.095 7.158 -1.113) 8.321 8.098 ( -3.930 -9.650 0.872) 10.456 8.139 ( 4.733 0.781 0.264) 4.804 8.200 ( -3.577 -2.451 -5.192) 6.765 8.548 ( 2.731 1.313 0.109) 3.032 8.742 ( 2.078 5.586 -2.710) 6.547 8.824 ( 4.634 -4.194 -1.546) 6.439 9.313 ( 7.002 -0.175 12.381) 14.225 9.522 ( 4.724 -7.998 -16.554) 18.982 10.253 ( 2.392 3.604 1.936) 4.739 10.759 ( -5.080 2.888 9.747) 11.364 10.829 ( 0.478 -2.237 -1.231) 2.598 ======================= Grid point 395 (193/227) ======================= q-point: (-0.10 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -7.848 -1.693 3.957) 8.950 2.431 ( -18.159 -15.040 15.075) 27.986 3.436 ( 5.218 -0.635 11.344) 12.503 3.590 ( 7.125 -2.152 -1.034) 7.514 3.931 ( -19.816 -5.200 -2.276) 20.613 4.235 ( 16.890 0.496 3.392) 17.234 4.640 ( 18.830 2.422 -8.797) 20.925 5.003 ( -3.088 9.802 -6.379) 12.096 5.136 ( 3.611 10.875 -4.309) 12.243 5.625 ( 1.943 2.914 -0.928) 3.623 5.680 ( 5.282 -0.919 -0.377) 5.374 6.558 ( -6.772 -0.607 1.199) 6.904 6.613 ( 1.495 -1.073 0.340) 1.872 6.844 ( -5.047 -0.368 -4.686) 6.897 7.060 ( -1.577 1.040 -0.046) 1.889 7.378 ( -1.292 5.131 3.781) 6.503 7.411 ( 1.189 -2.220 -4.362) 5.037 7.597 ( -1.086 -3.563 1.483) 4.009 7.854 ( 4.435 6.295 1.591) 7.864 8.082 ( -2.170 -0.964 3.832) 4.508 8.199 ( 3.079 -0.868 1.630) 3.590 8.281 ( 6.100 -5.581 -4.259) 9.300 8.512 ( -5.071 0.562 -9.419) 10.712 8.700 ( 4.353 8.223 0.183) 9.306 8.913 ( 3.052 -6.293 -2.896) 7.570 9.409 ( -6.068 2.708 16.632) 17.910 9.603 ( 5.152 -9.295 -15.204) 18.550 10.260 ( 3.813 8.563 4.130) 10.243 10.687 ( -8.140 -0.305 7.687) 11.201 10.916 ( 10.390 -5.380 -6.817) 13.541 ======================= Grid point 404 (194/227) ======================= q-point: (-0.20 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -9.963 0.000 7.976) 12.762 2.279 ( -19.250 0.000 17.088) 25.740 3.435 ( 6.376 -0.000 7.123) 9.560 3.566 ( 7.916 -0.000 3.054) 8.485 3.877 ( -25.053 0.000 -2.335) 25.162 4.243 ( 20.679 -0.000 3.918) 21.047 4.659 ( 20.751 -0.000 -8.950) 22.599 5.106 ( -1.405 0.000 -2.419) 2.798 5.251 ( -0.624 0.000 -7.729) 7.754 5.627 ( 6.716 -0.000 8.201) 10.600 5.690 ( 4.498 -0.000 -10.973) 11.860 6.544 ( -7.933 0.000 2.670) 8.370 6.607 ( 1.570 -0.000 -1.426) 2.121 6.842 ( -4.765 0.000 -4.958) 6.877 7.073 ( -3.873 0.000 -0.223) 3.880 7.380 ( 0.036 -0.000 -4.715) 4.715 7.481 ( -3.125 0.000 0.748) 3.213 7.513 ( 2.853 -0.000 4.958) 5.720 7.993 ( -3.677 0.000 6.054) 7.083 8.025 ( 7.648 -0.000 2.143) 7.942 8.139 ( 2.000 -0.000 -4.579) 4.996 8.248 ( 9.097 -0.000 -0.769) 9.130 8.517 ( -5.319 0.000 -9.760) 11.115 8.798 ( 2.782 -0.000 -3.293) 4.310 8.847 ( 3.292 -0.000 1.004) 3.442 9.377 ( -4.557 0.000 8.346) 9.509 9.552 ( 7.125 -0.000 -6.711) 9.787 10.339 ( 5.223 -0.000 1.444) 5.419 10.692 ( -11.759 0.000 8.212) 14.343 10.861 ( 9.780 -0.000 -4.266) 10.670 ======================= Grid point 405 (195/227) ======================= q-point: (-0.10 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -7.006 -0.256 24.125) 25.123 2.130 ( -14.889 -9.453 22.246) 28.389 3.429 ( -28.809 -4.221 8.235) 30.259 3.607 ( 10.330 0.037 -5.172) 11.553 3.723 ( 8.610 -0.650 2.535) 8.999 4.591 ( 18.493 1.033 5.725) 19.386 4.907 ( -1.295 10.618 -5.984) 12.256 5.009 ( 16.768 2.371 -10.792) 20.081 5.147 ( -3.247 -1.313 -10.387) 10.962 5.709 ( 5.387 2.940 -6.119) 8.666 5.811 ( 8.628 2.243 7.254) 11.493 6.474 ( -3.371 -1.072 5.376) 6.435 6.630 ( 1.047 -1.367 1.259) 2.133 6.778 ( -0.234 -0.068 -3.667) 3.676 7.040 ( -1.237 -0.193 1.515) 1.965 7.368 ( 1.103 -1.896 -4.778) 5.257 7.413 ( -2.926 3.709 1.303) 4.901 7.590 ( 0.838 -1.850 5.022) 5.418 7.950 ( -2.671 5.098 4.946) 7.589 8.134 ( 5.115 0.072 1.266) 5.270 8.194 ( 0.603 -5.439 -1.987) 5.822 8.294 ( -10.514 -0.758 -13.240) 16.924 8.423 ( 13.505 2.289 -1.381) 13.767 8.841 ( 4.410 4.835 0.224) 6.548 8.910 ( 3.995 -4.120 -1.161) 5.855 9.319 ( -12.791 -1.139 13.111) 18.352 9.560 ( 1.381 -1.098 -10.269) 10.420 10.415 ( 3.477 5.364 0.522) 6.413 10.525 ( -11.610 -3.780 3.426) 12.682 11.098 ( 19.300 -1.429 -0.775) 19.368 ======================= Grid point 415 (196/227) ======================= q-point: (-0.10 -0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -13.772 0.000 24.414) 28.031 2.183 ( -7.481 0.000 32.315) 33.170 3.058 ( -17.524 0.000 13.763) 22.282 3.771 ( 11.373 -0.000 -2.504) 11.645 3.877 ( 8.830 -0.000 1.867) 9.025 4.723 ( -5.179 0.000 -5.316) 7.421 4.779 ( -14.629 0.000 -2.343) 14.816 5.134 ( 14.156 -0.000 -5.545) 15.203 5.334 ( 23.537 -0.000 -8.802) 25.129 5.759 ( 3.347 -0.000 -6.089) 6.948 5.959 ( 1.727 -0.000 3.733) 4.113 6.548 ( 9.060 -0.000 6.893) 11.384 6.647 ( 1.903 -0.000 1.237) 2.270 6.770 ( 0.336 -0.000 -2.141) 2.167 7.050 ( 1.341 -0.000 2.481) 2.820 7.372 ( 4.201 -0.000 -5.208) 6.691 7.389 ( -2.937 0.000 1.856) 3.474 7.618 ( -1.534 0.000 6.434) 6.614 7.775 ( -19.059 0.000 -8.377) 20.818 8.117 ( -0.534 0.000 -5.366) 5.392 8.199 ( 2.116 -0.000 -1.031) 2.354 8.226 ( 4.165 -0.000 4.333) 6.011 8.683 ( 16.566 -0.000 -0.403) 16.570 8.894 ( -5.179 0.000 1.403) 5.366 8.908 ( 0.072 -0.000 -1.431) 1.433 9.226 ( -2.591 0.000 8.475) 8.862 9.505 ( -0.310 0.000 -8.648) 8.653 10.219 ( -20.051 0.000 0.301) 20.054 10.570 ( 7.579 -0.000 0.463) 7.594 11.429 ( 19.810 -0.000 2.874) 20.018 ======================= Grid point 416 (197/227) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -0.000 0.000 0.000) 0.000 2.267 ( 0.000 -0.000 0.000) 0.000 3.627 ( -0.000 0.000 0.000) 0.000 4.006 ( 0.000 -0.000 0.000) 0.000 4.073 ( 0.000 -0.000 0.000) 0.000 4.260 ( 0.000 -0.000 0.000) 0.000 4.297 ( -0.000 0.000 0.000) 0.000 5.576 ( 0.000 -0.000 0.000) 0.000 5.578 ( -0.000 0.000 -0.000) 0.000 5.764 ( 0.000 -0.000 0.000) 0.000 5.866 ( -0.000 0.000 0.000) 0.000 6.613 ( 0.000 -0.000 0.000) 0.000 6.707 ( 0.000 -0.000 -0.000) 0.000 6.763 ( 0.000 -0.000 0.000) 0.000 7.180 ( 0.000 -0.000 0.000) 0.000 7.322 ( 0.000 -0.000 0.000) 0.000 7.385 ( 0.000 -0.000 0.000) 0.000 7.667 ( 0.000 -0.000 0.000) 0.000 7.675 ( -0.000 0.000 -0.000) 0.000 7.779 ( 0.000 -0.000 0.000) 0.000 8.389 ( -0.000 0.000 0.000) 0.000 8.468 ( 0.000 -0.000 0.000) 0.000 8.666 ( -0.000 0.000 0.000) 0.000 8.797 ( -0.000 0.000 0.000) 0.000 9.189 ( 0.000 -0.000 0.000) 0.000 9.352 ( 0.000 -0.000 -0.000) 0.000 9.420 ( -0.000 0.000 0.000) 0.000 9.554 ( -0.000 0.000 0.000) 0.000 10.766 ( 0.000 -0.000 0.000) 0.000 11.837 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 418 (198/227) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 5.551 -4.652 -7.168) 10.189 2.437 ( 17.869 -7.065 -5.039) 19.865 3.412 ( -17.129 5.911 -2.932) 18.356 3.859 ( -7.816 9.846 1.573) 12.669 4.053 ( -1.728 0.241 -2.332) 2.912 4.348 ( 2.514 -5.519 4.047) 7.291 4.514 ( 15.965 -6.229 2.451) 17.312 5.383 ( -12.128 4.922 -3.637) 13.585 5.485 ( -18.076 8.217 4.205) 20.296 5.667 ( -1.700 -1.510 2.896) 3.682 5.959 ( 6.019 3.679 -1.944) 7.317 6.625 ( 0.864 4.443 0.347) 4.539 6.747 ( 0.867 -7.838 1.313) 7.994 6.787 ( 1.996 -0.948 -2.954) 3.689 7.154 ( -0.978 1.589 -2.707) 3.288 7.296 ( 0.409 3.738 1.468) 4.037 7.393 ( -10.861 0.254 1.949) 11.038 7.495 ( 0.181 -10.622 1.459) 10.723 7.751 ( 3.854 -2.549 -4.571) 6.500 7.964 ( 12.607 2.576 -1.212) 12.924 8.307 ( -3.642 3.621 -3.574) 6.257 8.448 ( -4.507 -5.970 -3.236) 8.150 8.762 ( 10.337 7.189 -3.454) 13.056 8.828 ( 2.219 0.257 1.998) 2.997 8.997 ( -13.340 -3.065 -2.295) 13.879 9.280 ( -6.071 1.415 3.969) 7.390 9.451 ( 1.436 -2.224 -3.148) 4.114 9.808 ( 19.752 -2.766 6.235) 20.897 10.698 ( -6.492 2.779 -0.102) 7.062 11.721 ( -10.503 5.750 -1.075) 12.022 ======================= Grid point 419 (199/227) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 10.528 -8.539 -11.730) 17.926 2.780 ( 16.757 -3.561 -20.443) 26.672 3.104 ( -13.670 -5.152 11.444) 18.558 3.675 ( -2.150 12.215 1.339) 12.475 3.988 ( -3.305 0.933 -4.481) 5.645 4.418 ( 0.897 5.005 7.115) 8.745 4.815 ( 9.037 -6.977 1.702) 11.543 5.098 ( -14.124 3.671 -3.901) 15.106 5.119 ( -20.003 6.415 5.139) 21.626 5.645 ( -2.650 2.373 2.535) 4.368 5.940 ( 0.574 8.415 -2.677) 8.850 6.595 ( -0.097 0.839 -2.137) 2.298 6.780 ( -1.772 -0.363 -2.405) 3.009 6.793 ( -3.809 -7.873 -2.880) 9.208 7.112 ( 0.050 1.031 -3.976) 4.108 7.296 ( -3.626 -2.050 4.601) 6.206 7.307 ( 4.324 4.792 2.746) 7.014 7.689 ( 4.325 -10.892 6.423) 13.364 7.781 ( 2.445 -0.091 -7.560) 7.946 8.057 ( 5.796 2.754 -3.219) 7.179 8.242 ( 0.656 0.150 -3.903) 3.960 8.417 ( -3.668 -6.687 -4.654) 8.935 8.587 ( -13.918 8.642 -1.318) 16.436 8.819 ( -1.287 4.115 1.172) 4.468 8.974 ( -5.775 -4.933 2.711) 8.065 9.307 ( 14.498 5.065 -3.167) 15.681 9.476 ( 0.636 -5.292 -2.695) 5.973 10.192 ( 19.182 -3.327 5.950) 20.357 10.535 ( -9.469 3.403 1.277) 10.143 11.420 ( -17.133 8.110 -1.290) 19.000 ======================= Grid point 420 (200/227) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -10.276 1.411 -15.448) 18.607 2.739 ( 9.996 -11.745 -14.697) 21.305 3.324 ( 8.941 -1.153 9.682) 13.229 3.676 ( 11.779 -1.881 2.272) 12.142 3.885 ( -4.744 0.982 -5.791) 7.550 4.330 ( -6.353 16.796 11.810) 21.493 4.677 ( -18.125 3.764 -1.615) 18.582 4.864 ( -10.836 -3.048 -1.907) 11.417 5.059 ( 3.077 1.147 0.390) 3.307 5.575 ( -4.110 3.149 2.094) 5.585 5.830 ( -1.324 7.544 -3.671) 8.494 6.582 ( 0.427 -0.628 -4.195) 4.264 6.735 ( -2.154 -0.122 -0.879) 2.330 6.786 ( -2.514 -6.999 -3.303) 8.137 7.094 ( 0.664 0.203 -3.547) 3.614 7.320 ( -0.917 -3.152 4.179) 5.314 7.353 ( 4.954 4.253 0.963) 6.600 7.694 ( -3.119 0.686 -4.067) 5.171 7.880 ( 1.168 -3.010 5.030) 5.977 8.132 ( 6.176 -1.279 -2.331) 6.724 8.220 ( -3.459 1.894 -4.358) 5.878 8.318 ( -6.975 3.589 1.825) 8.054 8.403 ( -1.973 -6.310 -5.747) 8.760 8.732 ( -3.565 6.165 -0.639) 7.151 8.921 ( -6.912 -4.156 6.930) 10.634 9.416 ( 2.709 3.643 2.191) 5.040 9.609 ( 14.322 -3.192 -10.955) 18.312 10.309 ( -6.730 6.367 -0.633) 9.287 10.575 ( 13.112 -4.179 5.876) 14.964 11.074 ( -16.886 4.919 1.096) 17.622 ======================= Grid point 421 (201/227) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -11.027 1.211 -9.787) 14.793 2.991 ( 13.150 -11.207 -12.032) 21.054 3.432 ( 5.895 3.899 7.310) 10.168 3.761 ( -5.783 0.937 -3.857) 7.014 3.939 ( 1.940 4.135 0.648) 4.614 4.180 ( 3.030 0.448 13.819) 14.155 4.400 ( -10.863 1.383 -1.024) 10.999 4.774 ( -3.922 -2.527 -1.210) 4.820 4.972 ( -5.765 8.423 -5.770) 11.725 5.507 ( -2.485 1.896 1.677) 3.547 5.753 ( -0.168 2.971 -2.421) 3.837 6.567 ( 0.176 0.926 -2.293) 2.479 6.707 ( -1.608 -1.954 -2.063) 3.265 6.825 ( 1.511 -4.884 -0.018) 5.113 7.071 ( -0.842 1.525 -2.852) 3.342 7.332 ( -0.667 0.417 1.653) 1.830 7.403 ( 2.969 0.948 0.499) 3.157 7.642 ( -1.211 -0.820 -1.604) 2.171 7.837 ( -6.698 0.097 -1.555) 6.876 8.116 ( -0.584 3.873 2.426) 4.607 8.185 ( 0.041 -0.677 -2.203) 2.305 8.349 ( 3.235 -3.172 3.796) 5.911 8.406 ( 0.288 -3.635 -4.328) 5.660 8.605 ( -4.291 5.129 -2.430) 7.116 8.934 ( -1.169 -3.935 5.838) 7.136 9.411 ( -1.600 2.455 4.993) 5.790 9.763 ( 8.097 -3.825 -10.927) 14.128 10.120 ( -5.058 10.240 -1.882) 11.575 10.794 ( 5.407 -1.401 -0.528) 5.610 10.873 ( -6.268 -1.569 6.713) 9.317 ======================= Grid point 422 (202/227) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -0.000 0.000 0.000) 0.000 3.129 ( -0.000 0.000 0.000) 0.000 3.560 ( -0.000 0.000 0.000) 0.000 3.635 ( -0.000 -0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 4.265 ( -0.000 0.000 0.000) 0.000 4.431 ( -0.000 0.000 0.000) 0.000 4.738 ( -0.000 0.000 0.000) 0.000 4.803 ( -0.000 0.000 0.000) 0.000 5.483 ( -0.000 0.000 0.000) 0.000 5.733 ( -0.000 0.000 0.000) 0.000 6.555 ( -0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.879 ( -0.000 0.000 0.000) 0.000 7.030 ( -0.000 0.000 0.000) 0.000 7.332 ( -0.000 0.000 0.000) 0.000 7.419 ( -0.000 -0.000 0.000) 0.000 7.636 ( -0.000 0.000 0.000) 0.000 7.767 ( -0.000 0.000 0.000) 0.000 8.110 ( 0.000 0.000 -0.000) 0.000 8.174 ( -0.000 0.000 0.000) 0.000 8.404 ( -0.000 -0.000 0.000) 0.000 8.443 ( -0.000 0.000 0.000) 0.000 8.510 ( 0.000 -0.000 0.000) 0.000 8.974 ( -0.000 0.000 -0.000) 0.000 9.396 ( 0.000 0.000 0.000) 0.000 9.813 ( -0.000 -0.000 0.000) 0.000 10.011 ( -0.000 0.000 -0.000) 0.000 10.789 ( -0.000 0.000 0.000) 0.000 10.912 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 429 (203/227) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 11.747 -0.000 -14.775) 18.876 2.733 ( 24.519 -0.000 -14.816) 28.648 3.071 ( -21.843 0.000 7.019) 22.943 3.828 ( -3.310 0.000 -5.491) 6.412 3.964 ( -4.882 0.000 -6.257) 7.937 4.473 ( 7.366 -0.000 15.490) 17.152 4.743 ( 13.951 -0.000 1.943) 14.086 5.125 ( -19.765 0.000 -3.712) 20.111 5.181 ( -24.259 0.000 5.171) 24.804 5.672 ( -1.851 0.000 2.785) 3.344 6.027 ( 1.227 -0.000 -2.539) 2.820 6.650 ( -0.804 0.000 0.625) 1.018 6.668 ( -3.350 0.000 -5.094) 6.097 6.777 ( -1.227 0.000 -2.673) 2.941 7.129 ( -0.193 0.000 -4.650) 4.654 7.258 ( -5.515 0.000 5.126) 7.529 7.423 ( 2.632 -0.000 -1.152) 2.873 7.518 ( 9.580 -0.000 11.424) 14.909 7.777 ( 5.624 -0.000 -8.748) 10.400 8.109 ( 4.713 -0.000 -0.716) 4.767 8.264 ( -0.437 0.000 -7.009) 7.023 8.310 ( -5.197 0.000 -3.397) 6.208 8.685 ( -17.847 0.000 -0.876) 17.869 8.869 ( 0.908 -0.000 2.294) 2.468 8.904 ( -3.119 0.000 0.703) 3.197 9.357 ( 15.386 -0.000 -1.648) 15.474 9.420 ( -1.682 0.000 -2.121) 2.707 10.163 ( 21.297 -0.000 5.475) 21.990 10.565 ( -11.136 0.000 0.392) 11.143 11.499 ( -18.239 0.000 -3.132) 18.506 ======================= Grid point 430 (204/227) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 10.714 -1.944 -16.305) 19.607 2.597 ( -11.071 -2.522 -17.035) 20.472 3.262 ( 21.560 -2.681 9.020) 23.524 3.732 ( 1.201 4.835 -6.052) 7.839 3.854 ( -5.874 -3.442 -8.816) 11.139 4.640 ( 4.314 13.119 18.034) 22.715 4.722 ( -20.124 3.115 -6.058) 21.245 4.832 ( -19.872 -0.793 5.021) 20.512 4.996 ( 6.337 -7.499 3.678) 10.484 5.625 ( -4.669 1.775 2.230) 5.470 5.948 ( -5.263 4.181 -5.212) 8.505 6.591 ( 1.043 1.380 -5.211) 5.490 6.679 ( -0.031 -4.110 -2.466) 4.793 6.727 ( -2.977 -0.528 0.057) 3.024 7.105 ( 1.036 1.025 -4.178) 4.425 7.250 ( -1.487 -3.386 5.066) 6.272 7.441 ( 3.770 4.223 -0.503) 5.683 7.676 ( -1.141 -3.046 1.025) 3.410 7.872 ( 7.358 2.058 5.209) 9.247 8.133 ( 4.067 2.196 -2.994) 5.507 8.226 ( 0.285 -0.499 -3.856) 3.899 8.262 ( -4.099 -7.285 -5.034) 9.757 8.402 ( -14.031 3.292 0.274) 14.415 8.818 ( -6.839 -0.546 3.147) 7.548 8.865 ( -2.137 1.802 2.449) 3.716 9.368 ( -6.178 -4.422 3.884) 8.533 9.634 ( 19.865 2.405 -11.040) 22.854 10.376 ( -10.282 1.727 1.982) 10.613 10.520 ( 17.521 -1.796 3.649) 17.987 11.160 ( -17.722 3.144 -4.736) 18.611 ======================= Grid point 431 (205/227) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -9.861 2.673 -10.881) 14.926 2.775 ( 16.318 -10.426 -15.827) 25.010 3.508 ( 5.641 4.376 -0.881) 7.193 3.742 ( -4.312 -3.334 -10.428) 11.767 3.871 ( 16.427 -4.697 3.379) 17.416 4.303 ( -20.649 4.718 -1.069) 21.209 4.461 ( -16.100 5.036 6.107) 17.941 4.804 ( 5.063 7.026 10.022) 13.245 5.100 ( -0.522 2.882 0.159) 2.933 5.535 ( -5.457 1.399 3.001) 6.383 5.793 ( -5.013 1.482 -6.095) 8.029 6.585 ( 0.641 1.156 -2.166) 2.537 6.660 ( -1.376 -2.886 -3.047) 4.416 6.767 ( 3.945 -1.703 2.285) 4.867 7.094 ( 0.968 1.374 -2.680) 3.163 7.304 ( -0.466 -3.555 4.760) 5.960 7.449 ( 2.907 4.029 -2.473) 5.549 7.648 ( -0.715 -0.214 -3.111) 3.199 7.858 ( -6.392 4.027 2.283) 7.892 8.167 ( -2.009 -2.055 -0.338) 2.894 8.180 ( -4.313 2.372 0.910) 5.006 8.262 ( -1.295 -6.211 -1.738) 6.579 8.331 ( 5.974 -2.721 2.562) 7.047 8.719 ( -4.199 5.932 -0.926) 7.327 8.848 ( -1.656 -3.249 4.108) 5.493 9.349 ( -7.567 -7.480 8.437) 13.579 9.741 ( 2.812 0.232 -11.650) 11.987 10.232 ( -6.508 2.929 1.094) 7.220 10.790 ( 13.189 0.109 -0.489) 13.198 10.904 ( -5.218 3.885 -4.170) 7.727 ======================= Grid point 432 (206/227) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 2.139 3.506 -2.646) 4.886 3.012 ( 9.477 -10.436 -13.347) 19.413 3.533 ( 3.373 -0.695 -0.556) 3.488 3.672 ( -0.809 0.225 -7.154) 7.203 3.852 ( -15.202 3.395 -5.541) 16.532 4.263 ( -6.491 -3.033 0.726) 7.202 4.320 ( 11.545 -5.425 8.606) 15.388 4.866 ( 4.976 10.400 8.586) 14.375 4.933 ( -6.506 11.536 -3.084) 13.599 5.482 ( -3.208 -0.135 3.538) 4.778 5.710 ( -3.214 -2.384 -3.257) 5.160 6.554 ( -2.105 -0.101 0.316) 2.131 6.688 ( 2.702 -0.883 0.073) 2.843 6.875 ( 5.677 -0.542 3.464) 6.672 7.061 ( -1.110 3.214 -2.023) 3.956 7.323 ( -1.899 -0.842 3.334) 3.928 7.446 ( 2.135 2.487 -3.366) 4.698 7.647 ( 1.712 0.972 0.014) 1.969 7.757 ( -2.004 -0.527 -0.472) 2.126 8.101 ( -6.101 -1.267 4.027) 7.420 8.175 ( 1.334 -0.068 -0.952) 1.640 8.301 ( -0.212 -7.951 -1.353) 8.068 8.462 ( 3.493 0.292 5.217) 6.285 8.584 ( -2.794 7.162 -1.564) 7.845 8.908 ( 1.106 -5.551 0.633) 5.696 9.343 ( -8.357 -5.743 9.802) 14.103 9.677 ( -6.172 -10.958 -5.717) 13.815 10.098 ( -5.387 6.587 0.249) 8.513 10.854 ( 7.426 5.677 -6.824) 11.573 10.932 ( 5.867 1.917 -3.406) 7.050 ======================= Grid point 433 (207/227) ======================= q-point: (-0.50 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 12.732 2.983 6.490) 14.599 3.081 ( -2.445 -4.272 -2.160) 5.376 3.413 ( -14.978 4.064 -7.311) 17.155 3.716 ( 8.779 -3.784 -1.263) 9.643 3.764 ( 4.795 -8.440 -6.268) 11.555 4.249 ( 0.160 -1.396 -4.134) 4.366 4.421 ( -4.873 5.162 -2.330) 7.471 4.806 ( 6.672 1.158 3.086) 7.442 4.945 ( 5.412 7.011 11.384) 14.423 5.473 ( -0.341 -1.328 1.723) 2.202 5.684 ( -3.188 -4.597 -0.136) 5.596 6.550 ( 0.456 -0.791 2.640) 2.793 6.733 ( 1.708 1.117 1.961) 2.830 6.939 ( 1.813 7.105 2.441) 7.729 7.033 ( 1.292 -2.216 1.867) 3.173 7.312 ( -2.878 -1.436 1.902) 3.737 7.419 ( 0.619 2.986 -4.056) 5.074 7.676 ( 2.612 2.041 1.811) 3.777 7.821 ( 7.508 -1.994 1.513) 7.914 8.047 ( -4.687 -3.372 0.439) 5.791 8.193 ( -0.193 0.012 2.679) 2.686 8.372 ( -0.683 -4.515 0.606) 4.606 8.430 ( -1.827 2.655 -0.337) 3.241 8.574 ( 3.197 2.006 4.569) 5.926 8.944 ( 0.053 -2.877 -5.333) 6.060 9.296 ( -8.667 -7.828 3.578) 12.215 9.767 ( 0.959 -13.665 3.866) 14.233 9.961 ( -5.659 3.023 3.995) 7.558 10.866 ( 0.232 5.859 -4.220) 7.224 10.939 ( 8.349 4.729 -12.082) 15.429 ======================= Grid point 434 (208/227) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 12.185 -0.004 12.621) 17.544 2.974 ( -11.062 13.139 11.027) 20.411 3.221 ( 0.113 -10.837 -14.966) 18.478 3.818 ( 4.042 -4.414 -3.882) 7.134 3.849 ( -11.823 11.272 -2.919) 16.593 4.099 ( 6.738 -5.889 -6.150) 10.859 4.546 ( 13.263 -10.857 -1.866) 17.241 4.928 ( 5.356 1.283 4.513) 7.121 5.033 ( 1.781 2.494 7.433) 8.040 5.522 ( 3.508 -2.414 -0.003) 4.258 5.694 ( -2.786 -7.287 2.515) 8.196 6.606 ( 2.969 1.284 4.995) 5.951 6.734 ( -0.420 0.412 0.297) 0.659 6.923 ( 3.792 7.561 3.731) 9.245 7.085 ( -0.358 -0.886 4.013) 4.125 7.285 ( -3.559 -2.896 -0.062) 4.589 7.374 ( 0.853 3.093 -4.794) 5.769 7.710 ( 2.946 2.509 3.024) 4.911 7.928 ( -1.134 1.646 1.558) 2.534 8.096 ( 6.520 -7.330 -0.089) 9.810 8.186 ( -1.042 0.971 3.535) 3.811 8.311 ( -2.429 1.698 -1.303) 3.237 8.465 ( 0.280 -0.405 5.943) 5.963 8.653 ( 4.810 -1.497 1.961) 5.405 8.952 ( 4.454 -1.283 -7.278) 8.629 9.261 ( -10.475 -10.571 5.204) 15.765 9.732 ( -6.860 7.897 4.326) 11.320 10.105 ( 6.675 -15.621 4.820) 17.658 10.680 ( -9.828 7.221 -8.125) 14.654 11.025 ( 12.607 -0.127 -9.917) 16.041 ======================= Grid point 435 (209/227) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -4.238 9.293 9.843) 14.184 2.790 ( -6.136 -1.413 13.280) 14.698 3.315 ( 5.673 14.919 -11.075) 19.427 3.473 ( -4.244 -5.834 -5.703) 9.196 3.919 ( 2.457 -5.711 1.103) 6.314 4.307 ( 7.823 -7.154 -2.062) 10.800 4.899 ( 15.509 -15.245 -3.666) 22.055 4.973 ( -4.908 9.045 2.156) 10.514 5.037 ( 4.379 -4.077 4.734) 7.630 5.603 ( 3.999 -2.382 -1.925) 5.038 5.767 ( -0.328 -9.315 3.796) 10.064 6.620 ( -0.543 3.331 2.188) 4.022 6.773 ( 2.610 -1.257 2.569) 3.872 6.940 ( 3.425 7.772 3.392) 9.146 7.097 ( 0.263 -0.656 2.954) 3.038 7.246 ( -2.169 -1.038 -2.698) 3.614 7.349 ( 2.189 2.462 -3.754) 4.995 7.768 ( 2.679 -0.209 4.675) 5.392 7.846 ( -3.724 4.529 -2.692) 6.452 8.066 ( -7.850 3.205 5.088) 9.889 8.245 ( -1.906 -0.045 2.422) 3.082 8.403 ( 6.985 -10.021 0.572) 12.228 8.506 ( 4.217 1.914 5.034) 6.840 8.760 ( 5.677 -1.496 -0.052) 5.871 9.025 ( 6.469 -0.043 -4.889) 8.109 9.193 ( -10.757 -6.789 6.331) 14.208 9.591 ( -4.124 7.190 4.517) 9.439 10.264 ( -9.394 1.425 -3.886) 10.266 10.451 ( 1.852 -3.479 -5.182) 6.510 11.238 ( 12.759 -10.382 -4.284) 16.998 ======================= Grid point 436 (210/227) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -3.416 11.755 0.499) 12.252 2.671 ( -14.572 15.964 14.597) 26.082 3.201 ( 1.239 -14.095 -6.586) 15.608 3.723 ( 18.361 -3.857 -3.360) 19.060 4.005 ( 1.416 -4.247 2.433) 5.095 4.389 ( -2.021 -0.633 0.289) 2.137 4.726 ( -9.939 12.834 -1.379) 16.291 5.205 ( 5.658 -14.071 -0.333) 15.169 5.280 ( 13.206 -11.569 0.694) 17.570 5.676 ( 5.107 -1.822 -2.707) 6.061 5.847 ( -3.021 -6.925 2.797) 8.057 6.591 ( -1.530 0.396 0.194) 1.592 6.801 ( -0.960 1.442 2.295) 2.876 6.894 ( -1.536 6.534 -0.271) 6.718 7.136 ( 1.249 0.276 0.171) 1.290 7.274 ( 5.331 1.159 1.108) 5.567 7.379 ( 8.001 -1.195 -2.971) 8.618 7.711 ( -2.714 10.316 -0.996) 10.713 7.812 ( -0.706 2.656 4.482) 5.258 7.914 ( -12.175 -0.552 2.408) 12.424 8.256 ( 1.823 -2.013 1.774) 3.244 8.494 ( -1.381 -7.288 0.270) 7.423 8.626 ( 0.271 -1.187 5.460) 5.594 8.827 ( 1.012 0.691 -0.784) 1.455 9.043 ( 3.645 0.984 0.918) 3.885 9.239 ( 7.174 -2.664 -1.441) 7.787 9.523 ( -1.243 5.336 5.759) 7.949 9.907 ( -17.512 7.734 -8.716) 21.034 10.601 ( 5.581 -7.483 -0.741) 9.365 11.525 ( 8.635 -14.894 -0.688) 17.230 ======================= Grid point 437 (211/227) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -0.000 8.535 0.000) 8.535 2.417 ( 0.000 15.775 0.000) 15.775 3.390 ( -0.000 -21.302 0.000) 21.302 3.935 ( 0.000 -3.575 0.000) 3.575 4.063 ( 0.000 -1.561 0.000) 1.561 4.309 ( -0.000 1.190 0.000) 1.190 4.493 ( 0.000 17.181 0.000) 17.181 5.406 ( 0.000 -16.038 0.000) 16.038 5.486 ( 0.000 -9.005 -0.000) 9.005 5.787 ( 0.000 1.945 -0.000) 1.945 5.814 ( -0.000 -6.422 0.000) 6.422 6.576 ( -0.000 -1.321 0.000) 1.321 6.777 ( 0.000 1.517 -0.000) 1.517 6.812 ( -0.000 7.396 0.000) 7.396 7.153 ( -0.000 -1.828 -0.000) 1.828 7.292 ( -0.000 1.612 0.000) 1.612 7.537 ( 0.000 6.454 0.000) 6.454 7.624 ( 0.000 -0.380 0.000) 0.380 7.713 ( 0.000 3.556 0.000) 3.556 7.800 ( -0.000 2.021 0.000) 2.021 8.325 ( 0.000 -3.803 0.000) 3.803 8.568 ( 0.000 -10.333 -0.000) 10.333 8.572 ( -0.000 7.498 0.000) 7.498 8.809 ( -0.000 1.387 0.000) 1.387 9.140 ( 0.000 -3.786 0.000) 3.786 9.334 ( 0.000 -1.761 -0.000) 1.761 9.517 ( 0.000 8.784 0.000) 8.784 9.593 ( -0.000 4.056 -0.000) 4.056 10.710 ( 0.000 -5.895 0.000) 5.895 11.724 ( 0.000 -12.013 0.000) 12.013 ======================= Grid point 441 (212/227) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -9.749 0.000 -10.592) 14.396 2.669 ( 17.428 -0.000 -17.454) 24.665 3.571 ( 11.577 -0.000 -6.436) 13.246 3.679 ( -6.831 0.000 -8.142) 10.628 3.834 ( 15.013 -0.000 1.951) 15.140 4.334 ( -23.853 0.000 -4.701) 24.312 4.510 ( -19.837 0.000 4.407) 20.321 4.946 ( 6.848 -0.000 19.563) 20.727 5.072 ( 4.824 -0.000 1.437) 5.033 5.554 ( -6.588 0.000 2.339) 6.991 5.807 ( -8.137 0.000 -8.404) 11.698 6.613 ( 3.942 -0.000 -3.656) 5.376 6.614 ( -4.026 0.000 -1.875) 4.441 6.752 ( 4.436 -0.000 3.110) 5.418 7.115 ( 2.290 -0.000 -3.880) 4.506 7.253 ( -0.066 0.000 6.361) 6.361 7.508 ( 3.410 -0.000 -1.570) 3.754 7.622 ( -2.230 0.000 -4.140) 4.703 7.971 ( -3.036 0.000 6.533) 7.204 8.062 ( -11.137 0.000 -0.716) 11.160 8.183 ( 2.260 -0.000 -6.286) 6.680 8.243 ( -6.882 0.000 -0.741) 6.921 8.303 ( 8.715 -0.000 6.444) 10.839 8.754 ( -1.983 0.000 2.510) 3.199 8.859 ( -2.047 0.000 0.004) 2.047 9.249 ( -9.122 0.000 7.720) 11.950 9.743 ( -3.216 0.000 -8.643) 9.222 10.256 ( -4.540 0.000 0.832) 4.616 10.792 ( 15.088 -0.000 -0.933) 15.117 10.949 ( -4.253 0.000 -7.385) 8.522 ======================= Grid point 442 (213/227) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 3.748 2.353 -3.308) 5.525 2.845 ( 12.313 -5.727 -18.603) 23.032 3.540 ( -2.096 0.875 -5.212) 5.686 3.640 ( 5.065 -2.135 -13.388) 14.472 3.941 ( -17.615 4.899 -2.157) 18.411 4.138 ( 3.822 -6.273 1.991) 7.611 4.305 ( -1.792 0.213 7.994) 8.195 5.056 ( 3.786 8.335 10.313) 13.790 5.102 ( -2.910 4.494 -0.459) 5.374 5.477 ( -4.773 -0.276 6.315) 7.921 5.660 ( -5.673 -2.313 -6.165) 8.691 6.552 ( -2.837 -0.056 0.716) 2.927 6.673 ( 4.285 -0.533 -0.008) 4.318 6.863 ( 6.124 -0.508 3.768) 7.209 7.128 ( 2.355 3.072 -1.158) 4.040 7.297 ( -0.900 -1.672 5.122) 5.462 7.512 ( 2.590 4.917 -3.629) 6.638 7.613 ( 1.596 -4.956 -3.187) 6.105 7.821 ( -6.215 8.014 1.971) 10.332 8.010 ( -7.584 -9.650 5.770) 13.561 8.161 ( -2.859 -0.886 -1.824) 3.505 8.204 ( 2.521 -1.239 -2.579) 3.813 8.463 ( 4.508 -0.044 6.762) 8.127 8.734 ( 0.069 7.301 -1.582) 7.470 8.828 ( 0.199 -2.328 -0.231) 2.348 9.199 ( -8.306 -7.879 12.284) 16.792 9.520 ( -18.664 -4.575 -1.833) 19.304 10.194 ( -2.326 3.012 -3.443) 5.132 10.942 ( 8.759 2.886 -9.251) 13.063 10.964 ( 8.993 1.110 -5.408) 10.553 ======================= Grid point 443 (214/227) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 15.161 5.296 3.578) 16.453 2.911 ( 0.304 -10.438 -17.048) 19.992 3.511 ( -6.632 2.577 -3.033) 7.734 3.671 ( 4.096 1.165 -2.633) 5.006 3.681 ( 0.815 -0.956 -7.095) 7.205 4.126 ( -2.722 -9.255 -2.288) 9.914 4.489 ( 5.664 1.314 3.273) 6.673 4.930 ( -3.580 10.485 -1.441) 11.172 5.089 ( 3.445 6.140 7.677) 10.416 5.469 ( -1.493 0.860 7.137) 7.342 5.590 ( -5.376 -5.108 -1.418) 7.550 6.540 ( 0.302 -0.295 2.582) 2.617 6.751 ( 3.761 0.748 3.408) 5.130 6.978 ( 3.980 -1.885 3.497) 5.623 7.096 ( 0.187 7.978 1.540) 8.127 7.291 ( -3.167 -0.759 1.908) 3.775 7.498 ( 2.288 4.973 -3.093) 6.287 7.689 ( 3.767 -1.914 -0.148) 4.228 7.774 ( 5.051 -1.189 1.619) 5.436 7.996 ( -6.795 -3.049 6.198) 9.690 8.160 ( -0.409 -4.929 1.553) 5.184 8.255 ( 1.211 -4.140 1.310) 4.508 8.485 ( -2.833 2.116 -0.097) 3.538 8.659 ( 1.588 7.131 2.302) 7.659 8.867 ( 0.777 -4.126 -5.223) 6.701 9.177 ( -12.243 -4.669 6.689) 14.712 9.427 ( -3.305 -18.493 8.401) 20.579 10.083 ( -4.111 6.237 -1.932) 7.716 10.972 ( 1.773 4.766 -8.126) 9.586 11.017 ( 9.155 3.247 -12.855) 16.112 ======================= Grid point 444 (215/227) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 8.496 2.853 4.244) 9.916 2.978 ( 8.570 -12.277 -9.882) 17.939 3.236 ( -11.236 13.477 1.395) 17.602 3.729 ( 3.701 -4.045 -4.882) 7.341 3.856 ( 12.093 -5.650 -1.665) 13.451 4.218 ( 1.131 0.630 -7.522) 7.633 4.352 ( -5.497 1.170 -1.843) 5.915 4.905 ( 1.099 -1.554 2.336) 3.013 5.152 ( 5.155 7.157 8.270) 12.091 5.498 ( 2.061 -0.162 3.062) 3.695 5.560 ( -5.522 -7.138 3.563) 9.702 6.605 ( 4.576 -1.269 4.018) 6.220 6.781 ( -0.133 4.736 3.138) 5.683 7.033 ( 2.193 1.713 0.735) 2.878 7.082 ( 1.948 3.259 6.397) 7.439 7.247 ( -3.229 -1.249 -0.397) 3.485 7.450 ( 0.245 5.135 -2.950) 5.927 7.757 ( 3.595 1.141 2.012) 4.274 7.915 ( -6.778 -5.158 -0.477) 8.531 7.974 ( 9.383 -1.837 6.757) 11.708 8.200 ( -0.501 0.019 3.499) 3.535 8.321 ( -0.993 -3.484 0.098) 3.624 8.417 ( -1.815 -1.211 3.234) 3.901 8.675 ( 3.809 2.828 2.840) 5.529 8.890 ( 2.901 -4.543 -6.239) 8.245 9.090 ( -9.263 -7.042 6.739) 13.446 9.690 ( 4.676 -17.450 5.962) 19.024 9.953 ( -2.932 5.098 2.195) 6.277 10.817 ( -6.988 6.980 -11.341) 15.039 11.047 ( 6.978 1.748 -13.497) 15.294 ======================= Grid point 445 (216/227) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -2.849 -9.291 5.315) 11.076 2.942 ( -5.418 14.711 -4.393) 16.281 3.311 ( 20.549 -3.182 2.646) 20.962 3.762 ( -12.785 23.128 -9.266) 28.004 3.812 ( 2.747 -5.385 0.447) 6.061 4.168 ( 9.730 -6.888 -1.641) 12.033 4.574 ( 9.358 -19.280 -2.703) 21.600 4.939 ( -2.647 -5.217 2.283) 6.280 5.160 ( 0.677 9.062 5.811) 10.787 5.520 ( -3.595 -7.167 -0.452) 8.031 5.647 ( 5.396 -3.200 5.859) 8.584 6.712 ( -2.956 5.459 1.432) 6.371 6.736 ( 6.457 -1.278 4.289) 7.856 7.065 ( -1.011 5.358 4.531) 7.089 7.094 ( 3.639 0.336 0.082) 3.655 7.240 ( 1.511 -0.003 -0.172) 1.521 7.396 ( 0.288 2.976 -2.964) 4.210 7.786 ( -0.245 2.257 2.909) 3.690 7.849 ( -3.702 -4.380 -1.084) 5.837 8.111 ( -4.509 -0.376 8.672) 9.782 8.206 ( -2.113 -3.511 1.432) 4.341 8.289 ( 0.104 -0.519 -1.717) 1.797 8.504 ( 5.937 -1.682 4.700) 7.757 8.770 ( 8.876 1.991 1.304) 9.190 8.976 ( 3.538 -5.048 -2.729) 6.741 9.079 ( -2.969 -4.893 6.828) 8.909 9.718 ( -5.839 4.759 4.193) 8.621 10.115 ( 8.494 -13.309 3.321) 16.135 10.519 ( -11.918 7.544 -13.104) 19.252 11.083 ( 4.748 -6.066 -10.454) 12.986 ======================= Grid point 446 (217/227) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -5.195 -6.943 0.704) 8.700 2.761 ( 2.429 9.258 8.246) 12.633 3.242 ( -14.726 21.265 -7.882) 27.041 3.690 ( 19.917 -0.385 -4.466) 20.415 3.921 ( 3.766 -4.373 5.038) 7.661 4.338 ( 3.048 -4.966 -2.129) 6.204 4.799 ( -4.149 -10.764 1.318) 11.611 4.953 ( -0.177 -9.800 -2.734) 10.176 5.172 ( 7.074 2.858 5.097) 9.175 5.544 ( -3.069 -11.515 -1.526) 12.015 5.781 ( 4.736 -0.797 3.030) 5.678 6.629 ( -2.633 3.556 0.542) 4.458 6.832 ( 2.322 1.988 3.092) 4.348 6.992 ( -2.820 4.550 0.829) 5.417 7.155 ( 3.099 1.107 -2.764) 4.297 7.295 ( 7.785 0.250 1.210) 7.882 7.381 ( 1.862 2.036 -1.531) 3.155 7.778 ( -1.806 -2.024 2.228) 3.510 7.847 ( 0.669 1.111 -0.261) 1.323 7.980 ( -11.841 4.801 4.806) 13.651 8.208 ( -0.838 -4.409 0.631) 4.533 8.300 ( -4.371 -7.242 0.909) 8.507 8.652 ( 7.352 0.892 3.030) 8.001 8.859 ( 1.486 2.145 1.388) 2.955 9.027 ( 2.497 -1.824 0.066) 3.093 9.195 ( 8.455 -1.941 0.830) 8.715 9.634 ( -1.427 6.013 8.547) 10.547 10.062 ( -15.223 8.058 -10.677) 20.265 10.438 ( 5.314 -9.663 -1.768) 11.168 11.219 ( 3.986 -17.032 -4.221) 17.994 ======================= Grid point 447 (218/227) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -0.000 13.197 0.000) 13.197 2.809 ( 0.000 26.016 0.000) 26.016 2.977 ( -0.000 -21.259 -0.000) 21.259 3.865 ( 0.000 -4.455 0.000) 4.455 4.035 ( -0.000 -1.093 0.000) 1.093 4.328 ( -0.000 0.287 0.000) 0.287 4.744 ( 0.000 6.973 0.000) 6.973 5.086 ( -0.000 -16.933 0.000) 16.933 5.303 ( 0.000 -7.968 -0.000) 7.968 5.631 ( -0.000 -13.123 -0.000) 13.123 5.821 ( 0.000 1.593 0.000) 1.593 6.582 ( -0.000 1.859 0.000) 1.859 6.822 ( 0.000 3.505 -0.000) 3.505 6.926 ( 0.000 5.000 0.000) 5.000 7.148 ( -0.000 1.486 -0.000) 1.486 7.369 ( -0.000 4.663 0.000) 4.663 7.448 ( 0.000 -7.136 -0.000) 7.136 7.770 ( 0.000 6.753 0.000) 6.753 7.783 ( -0.000 3.493 -0.000) 3.493 7.845 ( 0.000 2.958 0.000) 2.958 8.269 ( 0.000 -2.340 0.000) 2.340 8.328 ( -0.000 -13.910 0.000) 13.910 8.693 ( 0.000 5.192 0.000) 5.192 8.843 ( 0.000 1.583 -0.000) 1.583 9.078 ( 0.000 -2.328 -0.000) 2.328 9.298 ( 0.000 -1.851 -0.000) 1.851 9.692 ( 0.000 6.121 0.000) 6.121 9.698 ( -0.000 10.368 -0.000) 10.368 10.567 ( 0.000 -9.093 0.000) 9.093 11.424 ( 0.000 -19.770 -0.000) 19.770 ======================= Grid point 453 (219/227) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 17.703 -0.000 3.621) 18.069 2.798 ( -0.984 0.000 -21.551) 21.573 3.512 ( 1.835 -0.000 -2.829) 3.372 3.657 ( 5.499 -0.000 -11.101) 12.389 3.752 ( -6.171 0.000 0.891) 6.235 4.004 ( -7.228 0.000 -2.871) 7.777 4.497 ( 9.984 -0.000 5.612) 11.453 5.067 ( -8.790 0.000 2.341) 9.096 5.128 ( 3.943 -0.000 -2.383) 4.607 5.484 ( -1.324 0.000 11.174) 11.252 5.533 ( -6.192 0.000 -1.450) 6.359 6.538 ( -0.015 0.000 2.452) 2.452 6.758 ( 5.235 -0.000 4.364) 6.815 6.958 ( 3.581 -0.000 2.687) 4.477 7.191 ( 0.914 -0.000 3.827) 3.935 7.284 ( -2.906 0.000 1.871) 3.456 7.560 ( 2.376 -0.000 -3.749) 4.439 7.635 ( 6.661 -0.000 -1.339) 6.794 7.801 ( -2.156 0.000 2.674) 3.435 7.924 ( -1.612 0.000 9.670) 9.804 8.100 ( -1.538 0.000 -2.016) 2.535 8.231 ( 0.257 -0.000 2.383) 2.396 8.503 ( -1.889 0.000 1.302) 2.294 8.771 ( -2.193 0.000 -1.791) 2.831 8.819 ( 3.299 -0.000 -6.916) 7.662 9.127 ( -8.233 0.000 9.668) 12.699 9.223 ( -9.475 0.000 11.184) 14.658 10.144 ( -3.561 0.000 -3.368) 4.901 11.019 ( 2.456 -0.000 -10.608) 10.888 11.047 ( 8.752 -0.000 -11.683) 14.598 ======================= Grid point 454 (220/227) ======================= q-point: (-0.60 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -3.002 2.993 -12.760) 13.446 2.795 ( 20.717 -6.373 0.127) 21.675 3.460 ( -3.750 8.853 0.128) 9.616 3.675 ( 2.197 -1.700 -4.749) 5.501 3.795 ( 10.486 0.493 -0.443) 10.507 4.000 ( 2.482 -12.423 -4.023) 13.292 4.549 ( -1.773 7.898 -4.281) 9.157 4.898 ( -8.779 0.691 0.792) 8.842 5.230 ( 7.432 0.971 -0.662) 7.525 5.450 ( -6.426 -3.185 5.906) 9.291 5.514 ( -1.056 0.731 8.175) 8.275 6.581 ( 3.331 -0.859 2.567) 4.292 6.869 ( 4.979 3.418 7.111) 9.329 7.017 ( 2.221 -1.125 1.463) 2.888 7.175 ( -1.856 4.223 5.372) 7.081 7.236 ( -2.702 -0.150 -1.323) 3.012 7.546 ( -0.853 4.363 -2.005) 4.877 7.691 ( -1.307 -5.771 0.071) 5.917 7.870 ( 2.854 0.338 1.925) 3.460 7.981 ( 1.476 0.949 12.144) 12.270 8.174 ( 8.978 -3.471 1.928) 9.816 8.219 ( -3.239 -2.917 3.079) 5.336 8.439 ( -4.531 1.416 -0.417) 4.766 8.729 ( 0.718 2.391 0.857) 2.640 8.821 ( 2.183 -2.232 -5.908) 6.682 9.012 ( -7.046 -1.874 6.871) 10.018 9.396 ( 8.371 -10.508 8.628) 15.967 10.047 ( -4.843 3.126 -0.459) 5.782 10.912 ( -5.443 2.873 -14.392) 15.653 11.071 ( 3.426 0.702 -12.916) 13.381 ======================= Grid point 455 (221/227) ======================= q-point: (-0.50 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -7.656 -7.474 -9.614) 14.384 3.193 ( 17.746 8.181 -4.690) 20.096 3.334 ( 7.397 8.829 8.574) 14.359 3.727 ( 2.763 -4.084 -0.464) 4.953 3.977 ( 9.364 -2.593 -3.481) 10.321 4.210 ( 7.607 -13.230 -4.579) 15.933 4.274 ( -9.599 14.661 -2.803) 17.747 4.839 ( -4.350 -6.253 1.015) 7.684 5.223 ( -7.046 -4.363 -1.778) 8.477 5.447 ( -2.741 2.499 7.468) 8.338 5.605 ( 7.285 -2.397 6.252) 9.895 6.681 ( 4.942 -2.263 1.338) 5.598 6.875 ( 0.062 9.578 5.820) 11.208 7.089 ( 4.204 -1.341 0.703) 4.469 7.135 ( -3.507 2.788 3.632) 5.767 7.240 ( 4.595 -0.398 -0.117) 4.614 7.458 ( -3.255 3.524 -1.244) 4.956 7.698 ( -7.364 -9.612 -1.314) 12.180 7.850 ( 0.108 3.648 1.533) 3.958 8.076 ( -2.699 -1.437 12.655) 13.019 8.173 ( -2.498 -1.374 3.044) 4.171 8.323 ( -0.767 3.313 -3.294) 4.735 8.460 ( 9.346 -2.929 2.853) 10.201 8.809 ( 9.665 1.762 4.619) 10.856 8.872 ( 1.738 -4.855 0.101) 5.158 9.023 ( 2.481 -1.690 5.186) 5.992 9.647 ( 2.813 -11.265 0.816) 11.639 9.991 ( 2.831 0.747 4.693) 5.531 10.642 ( -12.589 5.045 -16.311) 21.213 11.013 ( -1.790 -1.992 -12.143) 12.435 ======================= Grid point 456 (222/227) ======================= q-point: (-0.40 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -4.630 -14.800 -2.969) 15.789 3.096 ( 3.108 20.784 -0.493) 21.021 3.606 ( 8.150 6.690 4.670) 11.532 3.768 ( -3.932 14.317 -9.758) 17.767 3.874 ( 8.675 2.343 4.664) 10.124 4.224 ( 5.796 -6.208 -2.893) 8.973 4.474 ( 2.636 -20.286 -1.045) 20.483 4.829 ( -5.585 -5.037 2.778) 8.018 5.184 ( -2.247 -10.274 -1.276) 10.594 5.398 ( -4.632 1.584 3.518) 6.028 5.771 ( 6.667 -0.752 3.525) 7.579 6.706 ( -1.824 4.087 0.259) 4.483 6.880 ( 5.080 3.806 4.576) 7.825 7.064 ( -3.300 3.074 0.453) 4.532 7.160 ( 4.892 -0.182 -2.278) 5.399 7.306 ( -0.810 0.792 1.752) 2.086 7.418 ( 4.399 1.296 -1.172) 4.733 7.663 ( -5.219 -10.457 -0.904) 11.722 7.849 ( 0.447 0.902 0.760) 1.261 8.023 ( -9.900 0.931 7.629) 12.533 8.178 ( 0.130 1.923 2.355) 3.043 8.258 ( -2.193 0.751 -1.177) 2.599 8.635 ( 8.569 -3.153 0.234) 9.134 8.852 ( -4.706 -2.686 2.549) 5.988 9.042 ( 11.007 3.901 2.700) 11.986 9.172 ( 10.319 -0.479 2.779) 10.697 9.686 ( -2.410 -2.274 7.241) 7.963 10.141 ( -1.378 -0.900 -2.901) 3.335 10.314 ( -5.244 -1.210 -10.333) 11.650 10.959 ( -3.214 -10.238 -7.691) 13.203 ======================= Grid point 457 (223/227) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -0.000 -17.933 0.000) 17.933 2.951 ( 0.000 18.016 0.000) 18.016 3.333 ( 0.000 30.263 -0.000) 30.263 3.778 ( 0.000 -4.697 -0.000) 4.697 4.027 ( -0.000 0.125 0.000) 0.125 4.295 ( 0.000 -4.185 0.000) 4.185 4.644 ( -0.000 -15.827 0.000) 15.827 4.842 ( -0.000 -8.820 0.000) 8.820 5.304 ( 0.000 6.169 -0.000) 6.169 5.344 ( -0.000 -18.152 0.000) 18.152 5.839 ( 0.000 0.331 0.000) 0.331 6.642 ( -0.000 4.589 0.000) 4.589 6.904 ( -0.000 5.279 -0.000) 5.279 7.000 ( 0.000 3.055 0.000) 3.055 7.199 ( -0.000 3.625 -0.000) 3.625 7.296 ( 0.000 -6.273 -0.000) 6.273 7.467 ( 0.000 2.640 0.000) 2.640 7.738 ( 0.000 -10.692 0.000) 10.692 7.829 ( -0.000 1.877 0.000) 1.877 7.914 ( -0.000 4.301 0.000) 4.301 8.174 ( 0.000 -0.741 0.000) 0.741 8.238 ( -0.000 -1.134 0.000) 1.134 8.760 ( -0.000 2.475 0.000) 2.475 8.811 ( 0.000 -5.878 -0.000) 5.878 9.097 ( 0.000 4.402 0.000) 4.402 9.277 ( 0.000 -0.077 0.000) 0.077 9.775 ( 0.000 1.439 0.000) 1.439 9.877 ( -0.000 8.782 -0.000) 8.782 10.402 ( 0.000 -8.264 0.000) 8.264 11.053 ( -0.000 -18.958 -0.000) 18.958 ======================= Grid point 465 (224/227) ======================= q-point: (-0.60 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -8.778 0.000 -14.819) 17.224 3.239 ( 28.802 -0.000 4.337) 29.126 3.526 ( 3.686 -0.000 0.459) 3.714 3.652 ( -0.394 0.000 -0.959) 1.037 3.965 ( 5.233 -0.000 -3.056) 6.060 3.981 ( 9.867 -0.000 0.872) 9.905 4.546 ( -1.245 0.000 -7.924) 8.021 4.716 ( -11.155 0.000 0.331) 11.160 5.147 ( -12.892 0.000 -0.923) 12.925 5.514 ( -3.225 0.000 4.959) 5.915 5.559 ( 10.379 -0.000 8.834) 13.630 6.658 ( 5.567 -0.000 1.254) 5.706 7.007 ( 2.232 -0.000 6.979) 7.327 7.049 ( 1.469 -0.000 1.388) 2.021 7.174 ( -2.439 0.000 4.824) 5.406 7.221 ( 2.935 -0.000 -2.567) 3.900 7.507 ( -4.926 0.000 -2.592) 5.567 7.580 ( -7.247 0.000 1.339) 7.370 7.891 ( -0.533 0.000 0.226) 0.579 8.065 ( -2.789 0.000 14.122) 14.394 8.157 ( -1.685 0.000 4.584) 4.884 8.379 ( -2.734 0.000 -1.137) 2.961 8.410 ( 13.396 -0.000 -1.238) 13.453 8.823 ( 0.755 -0.000 -0.465) 0.887 8.829 ( 11.609 -0.000 9.170) 14.794 9.007 ( 3.030 -0.000 4.141) 5.131 9.515 ( 7.021 -0.000 -1.213) 7.125 10.013 ( -0.600 0.000 4.175) 4.218 10.689 ( -12.700 0.000 -17.919) 21.963 10.997 ( -3.950 0.000 -11.644) 12.296 ======================= Grid point 467 (225/227) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -5.410 -5.791 -7.566) 10.957 3.479 ( 4.335 19.456 -0.203) 19.934 3.623 ( 10.978 -0.474 0.016) 10.988 3.789 ( 14.771 -5.823 4.126) 16.404 4.057 ( 5.345 -1.793 -3.191) 6.478 4.137 ( 0.366 -10.784 2.036) 10.981 4.315 ( -4.580 20.127 -5.916) 21.473 4.697 ( -2.651 -13.092 -0.475) 13.366 4.950 ( -14.342 -8.362 1.308) 16.653 5.468 ( -2.729 2.813 2.446) 4.619 5.755 ( 7.508 -0.718 4.585) 8.827 6.751 ( 4.351 0.874 0.008) 4.438 6.981 ( -0.302 6.267 3.777) 7.323 7.076 ( -3.051 -2.240 0.779) 3.864 7.183 ( 4.167 2.984 0.628) 5.164 7.286 ( 0.908 -3.522 -0.156) 3.640 7.436 ( -0.357 1.363 -0.695) 1.571 7.494 ( -6.573 -6.002 0.089) 8.902 7.878 ( -0.154 1.381 0.226) 1.408 8.042 ( -5.733 0.784 7.468) 9.447 8.199 ( 0.538 0.209 6.263) 6.289 8.324 ( -0.459 5.109 -2.643) 5.771 8.537 ( 3.981 -6.148 -2.042) 7.604 8.821 ( -1.959 -0.447 1.810) 2.704 9.114 ( 9.516 2.253 2.814) 10.176 9.188 ( 18.770 2.482 11.092) 21.944 9.556 ( -2.671 -8.211 -1.047) 8.698 10.118 ( 8.334 -0.244 4.788) 9.615 10.335 ( -16.652 1.123 -17.388) 24.102 10.848 ( -7.504 -2.474 -8.366) 11.507 ======================= Grid point 468 (226/227) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 0.000 -11.966 0.000) 11.966 3.328 ( -0.000 21.407 0.000) 21.407 3.707 ( 0.000 -2.826 0.000) 2.826 3.882 ( 0.000 28.161 -0.000) 28.161 4.030 ( -0.000 -0.232 -0.000) 0.232 4.206 ( 0.000 -3.216 0.000) 3.216 4.294 ( -0.000 -20.077 0.000) 20.077 4.745 ( -0.000 -3.806 0.000) 3.806 4.977 ( 0.000 -20.973 0.000) 20.973 5.417 ( -0.000 4.800 -0.000) 4.800 5.836 ( 0.000 -0.480 0.000) 0.480 6.740 ( -0.000 5.576 0.000) 5.576 6.996 ( -0.000 4.013 -0.000) 4.013 7.025 ( 0.000 -0.638 0.000) 0.638 7.229 ( -0.000 -0.450 0.000) 0.450 7.262 ( 0.000 2.830 -0.000) 2.830 7.469 ( 0.000 -5.225 0.000) 5.225 7.508 ( -0.000 -8.036 0.000) 8.036 7.863 ( -0.000 1.786 0.000) 1.786 7.987 ( -0.000 3.271 0.000) 3.271 8.224 ( -0.000 -0.431 0.000) 0.431 8.246 ( -0.000 6.873 0.000) 6.873 8.654 ( -0.000 -10.199 0.000) 10.199 8.795 ( 0.000 1.515 0.000) 1.515 9.187 ( 0.000 4.200 0.000) 4.200 9.314 ( -0.000 4.706 0.000) 4.706 9.699 ( 0.000 -9.694 0.000) 9.694 10.010 ( -0.000 5.512 0.000) 5.512 10.280 ( 0.000 -4.844 0.000) 4.844 10.794 ( -0.000 -8.485 0.000) 8.485 ======================= Grid point 479 (227/227) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 -0.000 0.000) 0.000 3.968 ( -0.000 0.000 0.000) 0.000 4.081 ( -0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.542 ( -0.000 0.000 0.000) 0.000 4.783 ( -0.000 0.000 0.000) 0.000 5.462 ( -0.000 0.000 0.000) 0.000 5.830 ( -0.000 0.000 0.000) 0.000 6.806 ( -0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.034 ( 0.000 0.000 0.000) 0.000 7.254 ( -0.000 -0.000 0.000) 0.000 7.290 ( -0.000 0.000 0.000) 0.000 7.341 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 7.883 ( -0.000 0.000 0.000) 0.000 8.019 ( -0.000 0.000 0.000) 0.000 8.221 ( -0.000 0.000 0.000) 0.000 8.358 ( -0.000 0.000 0.000) 0.000 8.510 ( 0.000 0.000 0.000) 0.000 8.811 ( -0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.432 ( -0.000 -0.000 0.000) 0.000 9.515 ( -0.000 0.000 -0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.232 ( -0.000 0.000 0.000) 0.000 10.725 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/24000 10.0 3047.676 4292.395 2679.477 0.000 449.284 -0.000 3/24000 20.0 1070.511 1208.423 1034.279 0.000 35.682 -0.000 3/24000 30.0 390.209 418.281 373.103 0.000 10.833 -0.000 3/24000 40.0 184.158 196.216 176.202 0.000 3.868 -0.000 3/24000 50.0 103.653 110.561 98.507 0.000 1.661 -0.000 3/24000 60.0 66.111 70.525 62.223 0.000 0.828 -0.000 3/24000 70.0 46.264 49.261 43.110 0.000 0.462 -0.000 3/24000 80.0 34.707 36.830 32.039 0.000 0.280 -0.000 3/24000 90.0 27.437 28.990 25.115 0.000 0.180 -0.000 3/24000 100.0 22.568 23.732 20.503 0.000 0.120 -0.000 3/24000 110.0 19.135 20.024 17.269 0.000 0.083 -0.000 3/24000 120.0 16.609 17.299 14.904 0.000 0.058 -0.000 3/24000 130.0 14.684 15.225 13.110 0.000 0.042 -0.000 3/24000 140.0 13.173 13.602 11.709 0.000 0.030 -0.000 3/24000 150.0 11.957 12.299 10.588 0.000 0.021 -0.000 3/24000 160.0 10.958 11.231 9.671 0.000 0.015 -0.000 3/24000 170.0 10.122 10.341 8.907 0.000 0.011 -0.000 3/24000 180.0 9.412 9.588 8.261 0.000 0.007 -0.000 3/24000 190.0 8.801 8.942 7.707 0.000 0.004 -0.000 3/24000 200.0 8.269 8.382 7.227 0.000 0.002 -0.000 3/24000 210.0 7.801 7.891 6.806 0.000 0.001 -0.000 3/24000 220.0 7.386 7.458 6.434 0.000 -0.000 -0.000 3/24000 230.0 7.016 7.072 6.103 0.000 -0.001 -0.000 3/24000 240.0 6.683 6.725 5.806 0.000 -0.002 -0.000 3/24000 250.0 6.382 6.413 5.538 0.000 -0.003 -0.000 3/24000 260.0 6.108 6.130 5.295 0.000 -0.003 -0.000 3/24000 270.0 5.858 5.872 5.074 0.000 -0.003 -0.000 3/24000 280.0 5.628 5.635 4.871 0.000 -0.004 -0.000 3/24000 290.0 5.416 5.418 4.684 0.000 -0.004 -0.000 3/24000 300.0 5.220 5.218 4.512 0.000 -0.004 -0.000 3/24000 310.0 5.039 5.032 4.352 0.000 -0.004 -0.000 3/24000 320.0 4.870 4.859 4.204 0.000 -0.004 -0.000 3/24000 330.0 4.713 4.699 4.066 0.000 -0.004 -0.000 3/24000 340.0 4.565 4.549 3.937 0.000 -0.004 -0.000 3/24000 350.0 4.427 4.409 3.816 0.000 -0.005 -0.000 3/24000 360.0 4.297 4.277 3.702 0.000 -0.005 -0.000 3/24000 370.0 4.175 4.153 3.596 0.000 -0.005 -0.000 3/24000 380.0 4.060 4.037 3.495 0.000 -0.005 -0.000 3/24000 390.0 3.951 3.926 3.400 0.000 -0.005 -0.000 3/24000 400.0 3.848 3.822 3.311 0.000 -0.004 -0.000 3/24000 410.0 3.750 3.724 3.226 0.000 -0.004 -0.000 3/24000 420.0 3.657 3.630 3.145 0.000 -0.004 -0.000 3/24000 430.0 3.569 3.542 3.068 0.000 -0.004 -0.000 3/24000 440.0 3.485 3.457 2.995 0.000 -0.004 -0.000 3/24000 450.0 3.405 3.377 2.926 0.000 -0.004 -0.000 3/24000 460.0 3.329 3.300 2.860 0.000 -0.004 -0.000 3/24000 470.0 3.256 3.227 2.797 0.000 -0.004 -0.000 3/24000 480.0 3.186 3.157 2.736 0.000 -0.004 -0.000 3/24000 490.0 3.119 3.090 2.678 0.000 -0.004 -0.000 3/24000 500.0 3.055 3.026 2.623 0.000 -0.004 -0.000 3/24000 510.0 2.994 2.964 2.570 0.000 -0.004 -0.000 3/24000 520.0 2.935 2.905 2.519 0.000 -0.004 -0.000 3/24000 530.0 2.878 2.849 2.470 0.000 -0.004 -0.000 3/24000 540.0 2.824 2.794 2.423 0.000 -0.004 -0.000 3/24000 550.0 2.771 2.742 2.377 0.000 -0.004 -0.000 3/24000 560.0 2.721 2.691 2.334 0.000 -0.004 -0.000 3/24000 570.0 2.672 2.643 2.292 0.000 -0.004 -0.000 3/24000 580.0 2.625 2.596 2.251 0.000 -0.004 -0.000 3/24000 590.0 2.580 2.551 2.212 0.000 -0.004 -0.000 3/24000 600.0 2.536 2.507 2.175 0.000 -0.004 -0.000 3/24000 610.0 2.494 2.465 2.138 0.000 -0.004 -0.000 3/24000 620.0 2.453 2.424 2.103 0.000 -0.004 -0.000 3/24000 630.0 2.414 2.385 2.069 0.000 -0.003 -0.000 3/24000 640.0 2.375 2.347 2.036 0.000 -0.003 -0.000 3/24000 650.0 2.338 2.310 2.004 0.000 -0.003 -0.000 3/24000 660.0 2.302 2.274 1.973 0.000 -0.003 -0.000 3/24000 670.0 2.267 2.240 1.943 0.000 -0.003 -0.000 3/24000 680.0 2.234 2.206 1.914 0.000 -0.003 -0.000 3/24000 690.0 2.201 2.174 1.886 0.000 -0.003 -0.000 3/24000 700.0 2.169 2.142 1.858 0.000 -0.003 -0.000 3/24000 710.0 2.138 2.111 1.832 0.000 -0.003 -0.000 3/24000 720.0 2.108 2.081 1.806 0.000 -0.003 -0.000 3/24000 730.0 2.079 2.052 1.781 0.000 -0.003 -0.000 3/24000 740.0 2.051 2.024 1.756 0.000 -0.003 -0.000 3/24000 750.0 2.023 1.997 1.733 0.000 -0.003 -0.000 3/24000 760.0 1.996 1.970 1.709 0.000 -0.003 -0.000 3/24000 770.0 1.970 1.944 1.687 0.000 -0.003 -0.000 3/24000 780.0 1.944 1.919 1.665 0.000 -0.003 -0.000 3/24000 790.0 1.920 1.894 1.644 0.000 -0.003 -0.000 3/24000 800.0 1.895 1.870 1.623 0.000 -0.003 -0.000 3/24000 810.0 1.872 1.847 1.603 0.000 -0.003 -0.000 3/24000 820.0 1.849 1.824 1.583 0.000 -0.003 -0.000 3/24000 830.0 1.826 1.802 1.564 0.000 -0.003 -0.000 3/24000 840.0 1.804 1.780 1.545 0.000 -0.003 -0.000 3/24000 850.0 1.783 1.759 1.526 0.000 -0.003 -0.000 3/24000 860.0 1.762 1.738 1.508 0.000 -0.003 -0.000 3/24000 870.0 1.742 1.718 1.491 0.000 -0.003 -0.000 3/24000 880.0 1.722 1.698 1.474 0.000 -0.003 -0.000 3/24000 890.0 1.702 1.679 1.457 0.000 -0.003 -0.000 3/24000 900.0 1.683 1.660 1.441 0.000 -0.003 -0.000 3/24000 910.0 1.665 1.642 1.425 0.000 -0.003 -0.000 3/24000 920.0 1.646 1.624 1.409 0.000 -0.003 -0.000 3/24000 930.0 1.629 1.606 1.394 0.000 -0.002 -0.000 3/24000 940.0 1.611 1.589 1.379 0.000 -0.002 -0.000 3/24000 950.0 1.594 1.572 1.364 0.000 -0.002 -0.000 3/24000 960.0 1.577 1.555 1.350 0.000 -0.002 -0.000 3/24000 970.0 1.561 1.539 1.336 0.000 -0.002 -0.000 3/24000 980.0 1.545 1.523 1.322 0.000 -0.002 -0.000 3/24000 990.0 1.529 1.508 1.309 0.000 -0.002 -0.000 3/24000 1000.0 1.514 1.493 1.296 0.000 -0.002 -0.000 3/24000 Thermal conductivity related properties were written into "kappa-m10108.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:45:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|