# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/9af025ad-1717-47bd-ac39-8aaf7e836d59/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Tl2Hg2PdCl8 / C2/m (12) / materials id 569675](https://mdr.nims.go.jp/datasets/758e8193-ff3d-4a68-b976-677da70b3491) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 18:43:33]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 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 5.599820228923764 -3.302706950000001 0.000000000000000 b 5.599820228923764 3.302706950000001 0.000000000000000 c -3.033859162511713 0.000000000000000 9.082121073450692Atomic positions (fractional): *1 Tl 0.60271568520684 0.60271568520684 0.83658612124058 204.383 2 Tl 0.39728431479316 0.39728431479316 0.16341387875942 204.383 *3 Hg 0.86597527419965 0.86597527419965 0.59701444936598 200.590 4 Hg 0.13402472580035 0.13402472580035 0.40298555063402 200.590 *5 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 *6 Cl 0.10566140734948 0.62174811750683 0.87021019997568 35.453 7 Cl 0.62174811750683 0.10566140734948 0.87021019997568 35.453 *8 Cl 0.64719537742935 0.64719537742935 0.49550835110462 35.453 9 Cl 0.89433859265052 0.37825188249317 0.12978980002432 35.453 *10 Cl 0.08590689818907 0.08590689818907 0.69443018912888 35.453 11 Cl 0.35280462257065 0.35280462257065 0.50449164889538 35.453 12 Cl 0.37825188249317 0.89433859265052 0.12978980002432 35.453 13 Cl 0.91409310181093 0.91409310181093 0.30556981087112 35.453-------------------------------- unit cell ---------------------------------Lattice vectors: a 11.199640457847527 0.000000000000000 0.000000000000000 b 0.000000000000000 6.605413900000002 0.000000000000000 c -3.033859162511713 0.000000000000000 9.082121073450692Atomic positions (fractional): *1 Tl 0.60271568520684 0.00000000000000 0.83658612124058 204.383 > 1 2 Tl 0.39728431479316 0.00000000000000 0.16341387875942 204.383 > 2 3 Tl 0.10271568520684 0.50000000000000 0.83658612124058 204.383 > 1 4 Tl 0.89728431479316 0.50000000000000 0.16341387875942 204.383 > 2 *5 Hg 0.86597527419965 0.00000000000000 0.59701444936598 200.590 > 3 6 Hg 0.13402472580035 0.00000000000000 0.40298555063402 200.590 > 4 7 Hg 0.36597527419965 0.50000000000000 0.59701444936598 200.590 > 3 8 Hg 0.63402472580035 0.50000000000000 0.40298555063402 200.590 > 4 *9 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 5 10 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 5 *11 Cl 0.36370476242816 0.25804335507867 0.87021019997568 35.453 > 6 12 Cl 0.36370476242816 0.74195664492132 0.87021019997568 35.453 > 7 *13 Cl 0.64719537742935 0.00000000000000 0.49550835110462 35.453 > 8 14 Cl 0.63629523757184 0.74195664492132 0.12978980002432 35.453 > 9 *15 Cl 0.08590689818907 0.00000000000000 0.69443018912888 35.453 > 10 16 Cl 0.35280462257065 0.00000000000000 0.50449164889538 35.453 > 11 17 Cl 0.63629523757184 0.25804335507867 0.12978980002432 35.453 > 12 18 Cl 0.91409310181093 0.00000000000000 0.30556981087112 35.453 > 13 19 Cl 0.86370476242816 0.75804335507868 0.87021019997568 35.453 > 6 20 Cl 0.86370476242816 0.24195664492132 0.87021019997568 35.453 > 7 21 Cl 0.14719537742935 0.50000000000000 0.49550835110462 35.453 > 8 22 Cl 0.13629523757184 0.24195664492132 0.12978980002432 35.453 > 9 23 Cl 0.58590689818907 0.50000000000000 0.69443018912888 35.453 > 10 24 Cl 0.85280462257065 0.50000000000000 0.50449164889538 35.453 > 11 25 Cl 0.13629523757184 0.75804335507868 0.12978980002432 35.453 > 12 26 Cl 0.41409310181093 0.50000000000000 0.30556981087112 35.453 > 13-------------------------------- super cell --------------------------------Lattice vectors: a 11.199640457847527 0.000000000000000 0.000000000000000 b 0.000000000000000 13.210827800000004 0.000000000000000 c -6.067718325023426 0.000000000000000 18.164242146901383Atomic positions (fractional): *1 Tl 0.60271568520684 0.00000000000000 0.41829306062029 204.383 > 1 2 Tl 0.60271568520684 0.50000000000000 0.41829306062029 204.383 > 1 3 Tl 0.60271568520684 0.00000000000000 0.91829306062029 204.383 > 1 4 Tl 0.60271568520684 0.50000000000000 0.91829306062029 204.383 > 1 5 Tl 0.39728431479316 0.00000000000000 0.08170693937971 204.383 > 2 6 Tl 0.39728431479316 0.50000000000000 0.08170693937971 204.383 > 2 7 Tl 0.39728431479316 0.00000000000000 0.58170693937971 204.383 > 2 8 Tl 0.39728431479316 0.50000000000000 0.58170693937971 204.383 > 2 9 Tl 0.10271568520684 0.25000000000000 0.41829306062029 204.383 > 1 10 Tl 0.10271568520684 0.75000000000000 0.41829306062029 204.383 > 1 11 Tl 0.10271568520684 0.25000000000000 0.91829306062029 204.383 > 1 12 Tl 0.10271568520684 0.75000000000000 0.91829306062029 204.383 > 1 13 Tl 0.89728431479316 0.25000000000000 0.08170693937971 204.383 > 2 14 Tl 0.89728431479316 0.75000000000000 0.08170693937971 204.383 > 2 15 Tl 0.89728431479316 0.25000000000000 0.58170693937971 204.383 > 2 16 Tl 0.89728431479316 0.75000000000000 0.58170693937971 204.383 > 2 *17 Hg 0.86597527419965 0.00000000000000 0.29850722468299 200.590 > 3 18 Hg 0.86597527419965 0.50000000000000 0.29850722468299 200.590 > 3 19 Hg 0.86597527419965 0.00000000000000 0.79850722468299 200.590 > 3 20 Hg 0.86597527419965 0.50000000000000 0.79850722468299 200.590 > 3 21 Hg 0.13402472580035 0.00000000000000 0.20149277531701 200.590 > 4 22 Hg 0.13402472580035 0.50000000000000 0.20149277531701 200.590 > 4 23 Hg 0.13402472580035 0.00000000000000 0.70149277531701 200.590 > 4 24 Hg 0.13402472580035 0.50000000000000 0.70149277531701 200.590 > 4 25 Hg 0.36597527419965 0.25000000000000 0.29850722468299 200.590 > 3 26 Hg 0.36597527419965 0.75000000000000 0.29850722468299 200.590 > 3 27 Hg 0.36597527419965 0.25000000000000 0.79850722468299 200.590 > 3 28 Hg 0.36597527419965 0.75000000000000 0.79850722468299 200.590 > 3 29 Hg 0.63402472580035 0.25000000000000 0.20149277531701 200.590 > 4 30 Hg 0.63402472580035 0.75000000000000 0.20149277531701 200.590 > 4 31 Hg 0.63402472580035 0.25000000000000 0.70149277531701 200.590 > 4 32 Hg 0.63402472580035 0.75000000000000 0.70149277531701 200.590 > 4 *33 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 5 34 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 5 35 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 5 36 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 5 37 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 5 38 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 5 39 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 5 40 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 5 *41 Cl 0.36370476242816 0.12902167753934 0.43510509998784 35.453 > 6 42 Cl 0.36370476242816 0.62902167753934 0.43510509998784 35.453 > 6 43 Cl 0.36370476242816 0.12902167753934 0.93510509998784 35.453 > 6 44 Cl 0.36370476242816 0.62902167753934 0.93510509998784 35.453 > 6 45 Cl 0.36370476242816 0.37097832246066 0.43510509998784 35.453 > 7 46 Cl 0.36370476242816 0.87097832246066 0.43510509998784 35.453 > 7 47 Cl 0.36370476242816 0.37097832246066 0.93510509998784 35.453 > 7 48 Cl 0.36370476242816 0.87097832246066 0.93510509998784 35.453 > 7 *49 Cl 0.64719537742935 0.00000000000000 0.24775417555231 35.453 > 8 50 Cl 0.64719537742935 0.50000000000000 0.24775417555231 35.453 > 8 51 Cl 0.64719537742935 0.00000000000000 0.74775417555231 35.453 > 8 52 Cl 0.64719537742935 0.50000000000000 0.74775417555231 35.453 > 8 53 Cl 0.63629523757184 0.37097832246066 0.06489490001216 35.453 > 9 54 Cl 0.63629523757184 0.87097832246066 0.06489490001216 35.453 > 9 55 Cl 0.63629523757184 0.37097832246066 0.56489490001216 35.453 > 9 56 Cl 0.63629523757184 0.87097832246066 0.56489490001216 35.453 > 9 *57 Cl 0.08590689818907 0.00000000000000 0.34721509456444 35.453 > 10 58 Cl 0.08590689818907 0.50000000000000 0.34721509456444 35.453 > 10 59 Cl 0.08590689818907 0.00000000000000 0.84721509456444 35.453 > 10 60 Cl 0.08590689818907 0.50000000000000 0.84721509456444 35.453 > 10 61 Cl 0.35280462257065 0.00000000000000 0.25224582444769 35.453 > 11 62 Cl 0.35280462257065 0.50000000000000 0.25224582444769 35.453 > 11 63 Cl 0.35280462257065 0.00000000000000 0.75224582444769 35.453 > 11 64 Cl 0.35280462257065 0.50000000000000 0.75224582444769 35.453 > 11 65 Cl 0.63629523757184 0.12902167753934 0.06489490001216 35.453 > 12 66 Cl 0.63629523757184 0.62902167753934 0.06489490001216 35.453 > 12 67 Cl 0.63629523757184 0.12902167753934 0.56489490001216 35.453 > 12 68 Cl 0.63629523757184 0.62902167753934 0.56489490001216 35.453 > 12 69 Cl 0.91409310181093 0.00000000000000 0.15278490543556 35.453 > 13 70 Cl 0.91409310181093 0.50000000000000 0.15278490543556 35.453 > 13 71 Cl 0.91409310181093 0.00000000000000 0.65278490543556 35.453 > 13 72 Cl 0.91409310181093 0.50000000000000 0.65278490543556 35.453 > 13 73 Cl 0.86370476242816 0.37902167753934 0.43510509998784 35.453 > 6 74 Cl 0.86370476242816 0.87902167753934 0.43510509998784 35.453 > 6 75 Cl 0.86370476242816 0.37902167753934 0.93510509998784 35.453 > 6 76 Cl 0.86370476242816 0.87902167753934 0.93510509998784 35.453 > 6 77 Cl 0.86370476242816 0.12097832246066 0.43510509998784 35.453 > 7 78 Cl 0.86370476242816 0.62097832246066 0.43510509998784 35.453 > 7 79 Cl 0.86370476242816 0.12097832246066 0.93510509998784 35.453 > 7 80 Cl 0.86370476242816 0.62097832246066 0.93510509998784 35.453 > 7 81 Cl 0.14719537742935 0.25000000000000 0.24775417555231 35.453 > 8 82 Cl 0.14719537742935 0.75000000000000 0.24775417555231 35.453 > 8 83 Cl 0.14719537742935 0.25000000000000 0.74775417555231 35.453 > 8 84 Cl 0.14719537742935 0.75000000000000 0.74775417555231 35.453 > 8 85 Cl 0.13629523757184 0.12097832246066 0.06489490001216 35.453 > 9 86 Cl 0.13629523757184 0.62097832246066 0.06489490001216 35.453 > 9 87 Cl 0.13629523757184 0.12097832246066 0.56489490001216 35.453 > 9 88 Cl 0.13629523757184 0.62097832246066 0.56489490001216 35.453 > 9 89 Cl 0.58590689818907 0.25000000000000 0.34721509456444 35.453 > 10 90 Cl 0.58590689818907 0.75000000000000 0.34721509456444 35.453 > 10 91 Cl 0.58590689818907 0.25000000000000 0.84721509456444 35.453 > 10 92 Cl 0.58590689818907 0.75000000000000 0.84721509456444 35.453 > 10 93 Cl 0.85280462257065 0.25000000000000 0.25224582444769 35.453 > 11 94 Cl 0.85280462257065 0.75000000000000 0.25224582444769 35.453 > 11 95 Cl 0.85280462257065 0.25000000000000 0.75224582444769 35.453 > 11 96 Cl 0.85280462257065 0.75000000000000 0.75224582444769 35.453 > 11 97 Cl 0.13629523757184 0.37902167753934 0.06489490001216 35.453 > 12 98 Cl 0.13629523757184 0.87902167753934 0.06489490001216 35.453 > 12 99 Cl 0.13629523757184 0.37902167753934 0.56489490001216 35.453 > 12 100 Cl 0.13629523757184 0.87902167753934 0.56489490001216 35.453 > 12 101 Cl 0.41409310181093 0.25000000000000 0.15278490543556 35.453 > 13 102 Cl 0.41409310181093 0.75000000000000 0.15278490543556 35.453 > 13 103 Cl 0.41409310181093 0.25000000000000 0.65278490543556 35.453 > 13 104 Cl 0.41409310181093 0.75000000000000 0.65278490543556 35.453 > 13----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.8189410 0.0000000 0.3090489 0.0000000 4.2395958 0.0000000 0.3090503 0.0000000 4.4998334-------------------------- Born effective charges -------------------------- 1 Tl 2.2646640 0.0000000 -0.2611636 0.0000000 1.9183203 0.0000000 -0.1454787 0.0000000 1.6611388 2 Tl 2.2646640 0.0000000 -0.2611636 0.0000000 1.9183203 0.0000000 -0.1454787 0.0000000 1.6611388 3 Hg 2.4001215 0.0000000 0.0685375 0.0000000 1.4753961 0.0000000 -0.0227866 0.0000000 2.5484395 4 Hg 2.4001215 0.0000000 0.0685375 0.0000000 1.4753961 0.0000000 -0.0227866 0.0000000 2.5484395 5 Pd 0.5151308 0.0000000 0.5252945 0.0000000 1.0024545 0.0000000 0.4421643 0.0000000 0.7719542 6 Cl -1.1667190 -0.0676519 0.0080779 -0.0885179 -1.0803604 0.0687883 0.0591666 0.0785096 -1.1377610 7 Cl -1.1667190 0.0676519 0.0080779 0.0885179 -1.0803604 -0.0687883 0.0591666 -0.0785096 -1.1377610 8 Cl -1.3421727 0.0000000 -0.2556917 0.0000000 -0.9559299 0.0000000 -0.3369228 0.0000000 -1.1395395 9 Cl -1.1667190 -0.0676519 0.0080779 -0.0885179 -1.0803604 0.0687883 0.0591666 0.0785096 -1.1377610 10 Cl -1.2467402 0.0000000 0.1695146 0.0000000 -0.7782930 0.0000000 0.1657728 0.0000000 -1.1804937 11 Cl -1.3421727 0.0000000 -0.2556917 0.0000000 -0.9559299 0.0000000 -0.3369228 0.0000000 -1.1395395 12 Cl -1.1667190 0.0676519 0.0080779 0.0885179 -1.0803604 -0.0687883 0.0591666 -0.0785096 -1.1377610 13 Cl -1.2467402 0.0000000 0.1695146 0.0000000 -0.7782930 0.0000000 0.1657728 0.0000000 -1.1804937----------------------------------------------------------------------------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: 312/312Permutation basis: 7554/7554Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1684Number of blocks in projector: 1684Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 422Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 250Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 250Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 250Use standard eigh solver.Tree of FC basis block matrices:- (1684, 1651), data: False|-- (250, 244), data: True|-- (250, 244), data: True|-- (250, 244), data: True|-- (256, 254), data: True|-- (256, 254), data: True|-- (422, 411), data: True-----Solver_atoms: 1 -- 104 / 104Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 400 - Time: 2.327Solver_block: 200 / 400 - Time: 2.277Solver_block: 300 / 400 - Time: 2.272Solver_block: 400 / 400 - Time: 2.270Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.185--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 312/312Permutation basis: 7554/7554Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1684Number of blocks in projector: 1684Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 422Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 250Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 250Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 250Use standard eigh solver.Tree of FC basis block matrices:- (1684, 1651), data: False|-- (250, 244), data: True|-- (250, 244), data: True|-- (250, 244), data: True|-- (256, 254), data: True|-- (256, 254), data: True|-- (422, 411), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 18:43:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:43:59]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 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 5.599820228923764 -3.302706950000001 0.000000000000000 b 5.599820228923764 3.302706950000001 0.000000000000000 c -3.033859162511713 0.000000000000000 9.082121073450692Atomic positions (fractional): 1 Tl 0.60271568520684 0.60271568520684 0.83658612124058 204.383 2 Tl 0.39728431479316 0.39728431479316 0.16341387875942 204.383 3 Hg 0.86597527419965 0.86597527419965 0.59701444936598 200.590 4 Hg 0.13402472580035 0.13402472580035 0.40298555063402 200.590 5 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 6 Cl 0.10566140734948 0.62174811750683 0.87021019997568 35.453 7 Cl 0.62174811750683 0.10566140734948 0.87021019997568 35.453 8 Cl 0.64719537742935 0.64719537742935 0.49550835110462 35.453 9 Cl 0.89433859265052 0.37825188249317 0.12978980002432 35.453 10 Cl 0.08590689818907 0.08590689818907 0.69443018912888 35.453 11 Cl 0.35280462257065 0.35280462257065 0.50449164889538 35.453 12 Cl 0.37825188249317 0.89433859265052 0.12978980002432 35.453 13 Cl 0.91409310181093 0.91409310181093 0.30556981087112 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 11.199640457847527 0.000000000000000 0.000000000000000 b 0.000000000000000 13.210827800000004 0.000000000000000 c -6.067718325023426 0.000000000000000 18.164242146901383Atomic positions (fractional): 1 Tl 0.60271568520684 0.00000000000000 0.41829306062029 204.383 > 1 2 Tl 0.60271568520684 0.50000000000000 0.41829306062029 204.383 > 1 3 Tl 0.60271568520684 0.00000000000000 0.91829306062029 204.383 > 1 4 Tl 0.60271568520684 0.50000000000000 0.91829306062029 204.383 > 1 5 Tl 0.39728431479316 0.00000000000000 0.08170693937971 204.383 > 5 6 Tl 0.39728431479316 0.50000000000000 0.08170693937971 204.383 > 5 7 Tl 0.39728431479316 0.00000000000000 0.58170693937971 204.383 > 5 8 Tl 0.39728431479316 0.50000000000000 0.58170693937971 204.383 > 5 9 Tl 0.10271568520684 0.25000000000000 0.41829306062029 204.383 > 1 10 Tl 0.10271568520684 0.75000000000000 0.41829306062029 204.383 > 1 11 Tl 0.10271568520684 0.25000000000000 0.91829306062029 204.383 > 1 12 Tl 0.10271568520684 0.75000000000000 0.91829306062029 204.383 > 1 13 Tl 0.89728431479316 0.25000000000000 0.08170693937971 204.383 > 5 14 Tl 0.89728431479316 0.75000000000000 0.08170693937971 204.383 > 5 15 Tl 0.89728431479316 0.25000000000000 0.58170693937971 204.383 > 5 16 Tl 0.89728431479316 0.75000000000000 0.58170693937971 204.383 > 5 17 Hg 0.86597527419965 0.00000000000000 0.29850722468299 200.590 > 17 18 Hg 0.86597527419965 0.50000000000000 0.29850722468299 200.590 > 17 19 Hg 0.86597527419965 0.00000000000000 0.79850722468299 200.590 > 17 20 Hg 0.86597527419965 0.50000000000000 0.79850722468299 200.590 > 17 21 Hg 0.13402472580035 0.00000000000000 0.20149277531701 200.590 > 21 22 Hg 0.13402472580035 0.50000000000000 0.20149277531701 200.590 > 21 23 Hg 0.13402472580035 0.00000000000000 0.70149277531701 200.590 > 21 24 Hg 0.13402472580035 0.50000000000000 0.70149277531701 200.590 > 21 25 Hg 0.36597527419965 0.25000000000000 0.29850722468299 200.590 > 17 26 Hg 0.36597527419965 0.75000000000000 0.29850722468299 200.590 > 17 27 Hg 0.36597527419965 0.25000000000000 0.79850722468299 200.590 > 17 28 Hg 0.36597527419965 0.75000000000000 0.79850722468299 200.590 > 17 29 Hg 0.63402472580035 0.25000000000000 0.20149277531701 200.590 > 21 30 Hg 0.63402472580035 0.75000000000000 0.20149277531701 200.590 > 21 31 Hg 0.63402472580035 0.25000000000000 0.70149277531701 200.590 > 21 32 Hg 0.63402472580035 0.75000000000000 0.70149277531701 200.590 > 21 33 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 33 34 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 33 35 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 33 36 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 33 37 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 33 38 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 33 39 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 33 40 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 33 41 Cl 0.36370476242816 0.12902167753934 0.43510509998784 35.453 > 41 42 Cl 0.36370476242816 0.62902167753934 0.43510509998784 35.453 > 41 43 Cl 0.36370476242816 0.12902167753934 0.93510509998784 35.453 > 41 44 Cl 0.36370476242816 0.62902167753934 0.93510509998784 35.453 > 41 45 Cl 0.36370476242816 0.37097832246066 0.43510509998784 35.453 > 45 46 Cl 0.36370476242816 0.87097832246066 0.43510509998784 35.453 > 45 47 Cl 0.36370476242816 0.37097832246066 0.93510509998784 35.453 > 45 48 Cl 0.36370476242816 0.87097832246066 0.93510509998784 35.453 > 45 49 Cl 0.64719537742935 0.00000000000000 0.24775417555231 35.453 > 49 50 Cl 0.64719537742935 0.50000000000000 0.24775417555231 35.453 > 49 51 Cl 0.64719537742935 0.00000000000000 0.74775417555231 35.453 > 49 52 Cl 0.64719537742935 0.50000000000000 0.74775417555231 35.453 > 49 53 Cl 0.63629523757184 0.37097832246066 0.06489490001216 35.453 > 53 54 Cl 0.63629523757184 0.87097832246066 0.06489490001216 35.453 > 53 55 Cl 0.63629523757184 0.37097832246066 0.56489490001216 35.453 > 53 56 Cl 0.63629523757184 0.87097832246066 0.56489490001216 35.453 > 53 57 Cl 0.08590689818907 0.00000000000000 0.34721509456444 35.453 > 57 58 Cl 0.08590689818907 0.50000000000000 0.34721509456444 35.453 > 57 59 Cl 0.08590689818907 0.00000000000000 0.84721509456444 35.453 > 57 60 Cl 0.08590689818907 0.50000000000000 0.84721509456444 35.453 > 57 61 Cl 0.35280462257065 0.00000000000000 0.25224582444769 35.453 > 61 62 Cl 0.35280462257065 0.50000000000000 0.25224582444769 35.453 > 61 63 Cl 0.35280462257065 0.00000000000000 0.75224582444769 35.453 > 61 64 Cl 0.35280462257065 0.50000000000000 0.75224582444769 35.453 > 61 65 Cl 0.63629523757184 0.12902167753934 0.06489490001216 35.453 > 65 66 Cl 0.63629523757184 0.62902167753934 0.06489490001216 35.453 > 65 67 Cl 0.63629523757184 0.12902167753934 0.56489490001216 35.453 > 65 68 Cl 0.63629523757184 0.62902167753934 0.56489490001216 35.453 > 65 69 Cl 0.91409310181093 0.00000000000000 0.15278490543556 35.453 > 69 70 Cl 0.91409310181093 0.50000000000000 0.15278490543556 35.453 > 69 71 Cl 0.91409310181093 0.00000000000000 0.65278490543556 35.453 > 69 72 Cl 0.91409310181093 0.50000000000000 0.65278490543556 35.453 > 69 73 Cl 0.86370476242816 0.37902167753934 0.43510509998784 35.453 > 41 74 Cl 0.86370476242816 0.87902167753934 0.43510509998784 35.453 > 41 75 Cl 0.86370476242816 0.37902167753934 0.93510509998784 35.453 > 41 76 Cl 0.86370476242816 0.87902167753934 0.93510509998784 35.453 > 41 77 Cl 0.86370476242816 0.12097832246066 0.43510509998784 35.453 > 45 78 Cl 0.86370476242816 0.62097832246066 0.43510509998784 35.453 > 45 79 Cl 0.86370476242816 0.12097832246066 0.93510509998784 35.453 > 45 80 Cl 0.86370476242816 0.62097832246066 0.93510509998784 35.453 > 45 81 Cl 0.14719537742935 0.25000000000000 0.24775417555231 35.453 > 49 82 Cl 0.14719537742935 0.75000000000000 0.24775417555231 35.453 > 49 83 Cl 0.14719537742935 0.25000000000000 0.74775417555231 35.453 > 49 84 Cl 0.14719537742935 0.75000000000000 0.74775417555231 35.453 > 49 85 Cl 0.13629523757184 0.12097832246066 0.06489490001216 35.453 > 53 86 Cl 0.13629523757184 0.62097832246066 0.06489490001216 35.453 > 53 87 Cl 0.13629523757184 0.12097832246066 0.56489490001216 35.453 > 53 88 Cl 0.13629523757184 0.62097832246066 0.56489490001216 35.453 > 53 89 Cl 0.58590689818907 0.25000000000000 0.34721509456444 35.453 > 57 90 Cl 0.58590689818907 0.75000000000000 0.34721509456444 35.453 > 57 91 Cl 0.58590689818907 0.25000000000000 0.84721509456444 35.453 > 57 92 Cl 0.58590689818907 0.75000000000000 0.84721509456444 35.453 > 57 93 Cl 0.85280462257065 0.25000000000000 0.25224582444769 35.453 > 61 94 Cl 0.85280462257065 0.75000000000000 0.25224582444769 35.453 > 61 95 Cl 0.85280462257065 0.25000000000000 0.75224582444769 35.453 > 61 96 Cl 0.85280462257065 0.75000000000000 0.75224582444769 35.453 > 61 97 Cl 0.13629523757184 0.37902167753934 0.06489490001216 35.453 > 65 98 Cl 0.13629523757184 0.87902167753934 0.06489490001216 35.453 > 65 99 Cl 0.13629523757184 0.37902167753934 0.56489490001216 35.453 > 65 100 Cl 0.13629523757184 0.87902167753934 0.56489490001216 35.453 > 65 101 Cl 0.41409310181093 0.25000000000000 0.15278490543556 35.453 > 69 102 Cl 0.41409310181093 0.75000000000000 0.15278490543556 35.453 > 69 103 Cl 0.41409310181093 0.25000000000000 0.65278490543556 35.453 > 69 104 Cl 0.41409310181093 0.75000000000000 0.65278490543556 35.453 > 69----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.8189410 0.0000000 0.3090489 0.0000000 4.2395958 0.0000000 0.3090503 0.0000000 4.4998334-------------------------- Born effective charges -------------------------- 1 Tl 2.2646640 0.0000000 -0.2611636 0.0000000 1.9183203 0.0000000 -0.1454787 0.0000000 1.6611388 2 Tl 2.2646640 0.0000000 -0.2611636 0.0000000 1.9183203 0.0000000 -0.1454787 0.0000000 1.6611388 3 Hg 2.4001215 0.0000000 0.0685375 0.0000000 1.4753961 0.0000000 -0.0227866 0.0000000 2.5484395 4 Hg 2.4001215 0.0000000 0.0685375 0.0000000 1.4753961 0.0000000 -0.0227866 0.0000000 2.5484395 5 Pd 0.5151308 0.0000000 0.5252945 0.0000000 1.0024545 0.0000000 0.4421643 0.0000000 0.7719542 6 Cl -1.1667190 -0.0676519 0.0080779 -0.0885179 -1.0803604 0.0687883 0.0591666 0.0785096 -1.1377610 7 Cl -1.1667190 0.0676519 0.0080779 0.0885179 -1.0803604 -0.0687883 0.0591666 -0.0785096 -1.1377610 8 Cl -1.3421727 0.0000000 -0.2556917 0.0000000 -0.9559299 0.0000000 -0.3369228 0.0000000 -1.1395395 9 Cl -1.1667190 -0.0676519 0.0080779 -0.0885179 -1.0803604 0.0687883 0.0591666 0.0785096 -1.1377610 10 Cl -1.2467402 0.0000000 0.1695146 0.0000000 -0.7782930 0.0000000 0.1657728 0.0000000 -1.1804937 11 Cl -1.3421727 0.0000000 -0.2556917 0.0000000 -0.9559299 0.0000000 -0.3369228 0.0000000 -1.1395395 12 Cl -1.1667190 0.0676519 0.0080779 0.0885179 -1.0803604 -0.0687883 0.0591666 -0.0785096 -1.1377610 13 Cl -1.2467402 0.0000000 0.1695146 0.0000000 -0.7782930 0.0000000 0.1657728 0.0000000 -1.1804937----------------------------------------------------------------------------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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095]Computing fc3[ 17, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095]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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095]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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095]Computing fc3[ 57, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (yxx) -0.00000001 (yxx) -0.00000001 (yxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 18:44:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:44:17]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 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 5.599820228923764 -3.302706950000001 0.000000000000000 b 5.599820228923764 3.302706950000001 0.000000000000000 c -3.033859162511713 0.000000000000000 9.082121073450692Atomic positions (fractional): 1 Tl 0.60271568520684 0.60271568520684 0.83658612124058 204.383 2 Tl 0.39728431479316 0.39728431479316 0.16341387875942 204.383 3 Hg 0.86597527419965 0.86597527419965 0.59701444936598 200.590 4 Hg 0.13402472580035 0.13402472580035 0.40298555063402 200.590 5 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 6 Cl 0.10566140734948 0.62174811750683 0.87021019997568 35.453 7 Cl 0.62174811750683 0.10566140734948 0.87021019997568 35.453 8 Cl 0.64719537742935 0.64719537742935 0.49550835110462 35.453 9 Cl 0.89433859265052 0.37825188249317 0.12978980002432 35.453 10 Cl 0.08590689818907 0.08590689818907 0.69443018912888 35.453 11 Cl 0.35280462257065 0.35280462257065 0.50449164889538 35.453 12 Cl 0.37825188249317 0.89433859265052 0.12978980002432 35.453 13 Cl 0.91409310181093 0.91409310181093 0.30556981087112 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 11.199640457847527 0.000000000000000 0.000000000000000 b 0.000000000000000 13.210827800000004 0.000000000000000 c -6.067718325023426 0.000000000000000 18.164242146901383Atomic positions (fractional): 1 Tl 0.60271568520684 0.00000000000000 0.41829306062029 204.383 > 1 2 Tl 0.60271568520684 0.50000000000000 0.41829306062029 204.383 > 1 3 Tl 0.60271568520684 0.00000000000000 0.91829306062029 204.383 > 1 4 Tl 0.60271568520684 0.50000000000000 0.91829306062029 204.383 > 1 5 Tl 0.39728431479316 0.00000000000000 0.08170693937971 204.383 > 5 6 Tl 0.39728431479316 0.50000000000000 0.08170693937971 204.383 > 5 7 Tl 0.39728431479316 0.00000000000000 0.58170693937971 204.383 > 5 8 Tl 0.39728431479316 0.50000000000000 0.58170693937971 204.383 > 5 9 Tl 0.10271568520684 0.25000000000000 0.41829306062029 204.383 > 1 10 Tl 0.10271568520684 0.75000000000000 0.41829306062029 204.383 > 1 11 Tl 0.10271568520684 0.25000000000000 0.91829306062029 204.383 > 1 12 Tl 0.10271568520684 0.75000000000000 0.91829306062029 204.383 > 1 13 Tl 0.89728431479316 0.25000000000000 0.08170693937971 204.383 > 5 14 Tl 0.89728431479316 0.75000000000000 0.08170693937971 204.383 > 5 15 Tl 0.89728431479316 0.25000000000000 0.58170693937971 204.383 > 5 16 Tl 0.89728431479316 0.75000000000000 0.58170693937971 204.383 > 5 17 Hg 0.86597527419965 0.00000000000000 0.29850722468299 200.590 > 17 18 Hg 0.86597527419965 0.50000000000000 0.29850722468299 200.590 > 17 19 Hg 0.86597527419965 0.00000000000000 0.79850722468299 200.590 > 17 20 Hg 0.86597527419965 0.50000000000000 0.79850722468299 200.590 > 17 21 Hg 0.13402472580035 0.00000000000000 0.20149277531701 200.590 > 21 22 Hg 0.13402472580035 0.50000000000000 0.20149277531701 200.590 > 21 23 Hg 0.13402472580035 0.00000000000000 0.70149277531701 200.590 > 21 24 Hg 0.13402472580035 0.50000000000000 0.70149277531701 200.590 > 21 25 Hg 0.36597527419965 0.25000000000000 0.29850722468299 200.590 > 17 26 Hg 0.36597527419965 0.75000000000000 0.29850722468299 200.590 > 17 27 Hg 0.36597527419965 0.25000000000000 0.79850722468299 200.590 > 17 28 Hg 0.36597527419965 0.75000000000000 0.79850722468299 200.590 > 17 29 Hg 0.63402472580035 0.25000000000000 0.20149277531701 200.590 > 21 30 Hg 0.63402472580035 0.75000000000000 0.20149277531701 200.590 > 21 31 Hg 0.63402472580035 0.25000000000000 0.70149277531701 200.590 > 21 32 Hg 0.63402472580035 0.75000000000000 0.70149277531701 200.590 > 21 33 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 33 34 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 33 35 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 33 36 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 33 37 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 33 38 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 33 39 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 33 40 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 33 41 Cl 0.36370476242816 0.12902167753934 0.43510509998784 35.453 > 41 42 Cl 0.36370476242816 0.62902167753934 0.43510509998784 35.453 > 41 43 Cl 0.36370476242816 0.12902167753934 0.93510509998784 35.453 > 41 44 Cl 0.36370476242816 0.62902167753934 0.93510509998784 35.453 > 41 45 Cl 0.36370476242816 0.37097832246066 0.43510509998784 35.453 > 45 46 Cl 0.36370476242816 0.87097832246066 0.43510509998784 35.453 > 45 47 Cl 0.36370476242816 0.37097832246066 0.93510509998784 35.453 > 45 48 Cl 0.36370476242816 0.87097832246066 0.93510509998784 35.453 > 45 49 Cl 0.64719537742935 0.00000000000000 0.24775417555231 35.453 > 49 50 Cl 0.64719537742935 0.50000000000000 0.24775417555231 35.453 > 49 51 Cl 0.64719537742935 0.00000000000000 0.74775417555231 35.453 > 49 52 Cl 0.64719537742935 0.50000000000000 0.74775417555231 35.453 > 49 53 Cl 0.63629523757184 0.37097832246066 0.06489490001216 35.453 > 53 54 Cl 0.63629523757184 0.87097832246066 0.06489490001216 35.453 > 53 55 Cl 0.63629523757184 0.37097832246066 0.56489490001216 35.453 > 53 56 Cl 0.63629523757184 0.87097832246066 0.56489490001216 35.453 > 53 57 Cl 0.08590689818907 0.00000000000000 0.34721509456444 35.453 > 57 58 Cl 0.08590689818907 0.50000000000000 0.34721509456444 35.453 > 57 59 Cl 0.08590689818907 0.00000000000000 0.84721509456444 35.453 > 57 60 Cl 0.08590689818907 0.50000000000000 0.84721509456444 35.453 > 57 61 Cl 0.35280462257065 0.00000000000000 0.25224582444769 35.453 > 61 62 Cl 0.35280462257065 0.50000000000000 0.25224582444769 35.453 > 61 63 Cl 0.35280462257065 0.00000000000000 0.75224582444769 35.453 > 61 64 Cl 0.35280462257065 0.50000000000000 0.75224582444769 35.453 > 61 65 Cl 0.63629523757184 0.12902167753934 0.06489490001216 35.453 > 65 66 Cl 0.63629523757184 0.62902167753934 0.06489490001216 35.453 > 65 67 Cl 0.63629523757184 0.12902167753934 0.56489490001216 35.453 > 65 68 Cl 0.63629523757184 0.62902167753934 0.56489490001216 35.453 > 65 69 Cl 0.91409310181093 0.00000000000000 0.15278490543556 35.453 > 69 70 Cl 0.91409310181093 0.50000000000000 0.15278490543556 35.453 > 69 71 Cl 0.91409310181093 0.00000000000000 0.65278490543556 35.453 > 69 72 Cl 0.91409310181093 0.50000000000000 0.65278490543556 35.453 > 69 73 Cl 0.86370476242816 0.37902167753934 0.43510509998784 35.453 > 41 74 Cl 0.86370476242816 0.87902167753934 0.43510509998784 35.453 > 41 75 Cl 0.86370476242816 0.37902167753934 0.93510509998784 35.453 > 41 76 Cl 0.86370476242816 0.87902167753934 0.93510509998784 35.453 > 41 77 Cl 0.86370476242816 0.12097832246066 0.43510509998784 35.453 > 45 78 Cl 0.86370476242816 0.62097832246066 0.43510509998784 35.453 > 45 79 Cl 0.86370476242816 0.12097832246066 0.93510509998784 35.453 > 45 80 Cl 0.86370476242816 0.62097832246066 0.93510509998784 35.453 > 45 81 Cl 0.14719537742935 0.25000000000000 0.24775417555231 35.453 > 49 82 Cl 0.14719537742935 0.75000000000000 0.24775417555231 35.453 > 49 83 Cl 0.14719537742935 0.25000000000000 0.74775417555231 35.453 > 49 84 Cl 0.14719537742935 0.75000000000000 0.74775417555231 35.453 > 49 85 Cl 0.13629523757184 0.12097832246066 0.06489490001216 35.453 > 53 86 Cl 0.13629523757184 0.62097832246066 0.06489490001216 35.453 > 53 87 Cl 0.13629523757184 0.12097832246066 0.56489490001216 35.453 > 53 88 Cl 0.13629523757184 0.62097832246066 0.56489490001216 35.453 > 53 89 Cl 0.58590689818907 0.25000000000000 0.34721509456444 35.453 > 57 90 Cl 0.58590689818907 0.75000000000000 0.34721509456444 35.453 > 57 91 Cl 0.58590689818907 0.25000000000000 0.84721509456444 35.453 > 57 92 Cl 0.58590689818907 0.75000000000000 0.84721509456444 35.453 > 57 93 Cl 0.85280462257065 0.25000000000000 0.25224582444769 35.453 > 61 94 Cl 0.85280462257065 0.75000000000000 0.25224582444769 35.453 > 61 95 Cl 0.85280462257065 0.25000000000000 0.75224582444769 35.453 > 61 96 Cl 0.85280462257065 0.75000000000000 0.75224582444769 35.453 > 61 97 Cl 0.13629523757184 0.37902167753934 0.06489490001216 35.453 > 65 98 Cl 0.13629523757184 0.87902167753934 0.06489490001216 35.453 > 65 99 Cl 0.13629523757184 0.37902167753934 0.56489490001216 35.453 > 65 100 Cl 0.13629523757184 0.87902167753934 0.56489490001216 35.453 > 65 101 Cl 0.41409310181093 0.25000000000000 0.15278490543556 35.453 > 69 102 Cl 0.41409310181093 0.75000000000000 0.15278490543556 35.453 > 69 103 Cl 0.41409310181093 0.25000000000000 0.65278490543556 35.453 > 69 104 Cl 0.41409310181093 0.75000000000000 0.65278490543556 35.453 > 69----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.8189410 0.0000000 0.3090489 0.0000000 4.2395958 0.0000000 0.3090503 0.0000000 4.4998334-------------------------- Born effective charges -------------------------- 1 Tl 2.2646640 0.0000000 -0.2611636 0.0000000 1.9183203 0.0000000 -0.1454787 0.0000000 1.6611388 2 Tl 2.2646640 0.0000000 -0.2611636 0.0000000 1.9183203 0.0000000 -0.1454787 0.0000000 1.6611388 3 Hg 2.4001215 0.0000000 0.0685375 0.0000000 1.4753961 0.0000000 -0.0227866 0.0000000 2.5484395 4 Hg 2.4001215 0.0000000 0.0685375 0.0000000 1.4753961 0.0000000 -0.0227866 0.0000000 2.5484395 5 Pd 0.5151308 0.0000000 0.5252945 0.0000000 1.0024545 0.0000000 0.4421643 0.0000000 0.7719542 6 Cl -1.1667190 -0.0676519 0.0080779 -0.0885179 -1.0803604 0.0687883 0.0591666 0.0785096 -1.1377610 7 Cl -1.1667190 0.0676519 0.0080779 0.0885179 -1.0803604 -0.0687883 0.0591666 -0.0785096 -1.1377610 8 Cl -1.3421727 0.0000000 -0.2556917 0.0000000 -0.9559299 0.0000000 -0.3369228 0.0000000 -1.1395395 9 Cl -1.1667190 -0.0676519 0.0080779 -0.0885179 -1.0803604 0.0687883 0.0591666 0.0785096 -1.1377610 10 Cl -1.2467402 0.0000000 0.1695146 0.0000000 -0.7782930 0.0000000 0.1657728 0.0000000 -1.1804937 11 Cl -1.3421727 0.0000000 -0.2556917 0.0000000 -0.9559299 0.0000000 -0.3369228 0.0000000 -1.1395395 12 Cl -1.1667190 0.0676519 0.0080779 0.0885179 -1.0803604 -0.0687883 0.0591666 -0.0785096 -1.1377610 13 Cl -1.2467402 0.0000000 0.1695146 0.0000000 -0.7782930 0.0000000 0.1657728 0.0000000 -1.1804937----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (yxx) -0.00000001 (yxx) -0.00000001 (yxx)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 9 9 6 ]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: 0.60, Number of G-points: 285, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/140) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.500 ( 0.000 0.000 0.000) 0.000 0.832 ( 0.000 0.000 0.000) 0.000 0.851 ( 0.000 0.000 0.000) 0.000 0.934 ( 0.000 0.000 0.000) 0.000 0.993 ( 0.000 0.000 0.000) 0.000 1.087 ( 0.000 0.000 0.000) 0.000 1.225 ( 0.000 0.000 0.000) 0.000 1.234 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 1.762 ( 0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 2.285 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.509 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.371 ( 0.000 0.000 0.000) 0.000 8.604 ( 0.000 0.000 0.000) 0.000 9.338 ( 0.000 0.000 0.000) 0.000 9.923 ( 0.000 0.000 0.000) 0.000 10.063 ( 0.000 0.000 0.000) 0.000 10.283 ( 0.000 0.000 0.000) 0.000 10.297 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/140) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.158 ( 5.552 -5.827 4.419) 9.182 0.277 ( 10.043 -8.608 2.601) 13.480 0.397 ( 8.055 -14.302 -0.199) 16.416 0.549 ( 2.469 -4.927 2.814) 6.188 0.820 ( -1.679 -1.155 -0.877) 2.219 0.873 ( 2.732 0.520 0.088) 2.782 0.953 ( -0.425 -2.281 -1.482) 2.753 1.027 ( 1.947 -1.805 1.556) 3.078 1.098 ( 1.028 -0.868 -0.007) 1.345 1.205 ( -0.820 1.562 -0.730) 1.909 1.476 ( -3.955 -1.114 2.802) 4.973 1.551 ( -4.746 -5.316 2.288) 7.485 1.631 ( 2.142 -5.126 -3.044) 6.335 1.692 ( -0.090 2.088 -1.933) 2.847 1.756 ( -1.348 -0.627 0.098) 1.490 1.897 ( 0.662 -0.126 -4.347) 4.399 2.116 ( -2.646 -0.614 -1.127) 2.941 2.352 ( 1.829 -4.465 -3.967) 6.247 2.372 ( 1.718 -7.590 -0.144) 7.784 2.527 ( -0.065 -1.867 -0.068) 1.870 2.679 ( -18.710 -12.994 -4.575) 23.234 2.773 ( -3.403 1.255 0.244) 3.635 2.845 ( 2.109 0.728 0.201) 2.240 3.202 ( -0.416 -1.598 -4.908) 5.178 3.233 ( 2.746 0.093 -6.447) 7.008 3.458 ( 2.910 -0.461 2.013) 3.568 4.386 ( -1.107 0.136 1.736) 2.063 4.518 ( 6.101 2.749 -3.037) 7.349 4.888 ( -2.568 -5.545 -3.071) 6.839 5.211 ( 2.146 1.746 0.128) 2.770 5.588 ( 2.360 5.244 3.837) 6.913 8.352 ( -1.803 -0.048 0.016) 1.804 8.394 ( 0.234 -2.524 0.293) 2.551 8.615 ( 2.255 0.300 0.246) 2.288 9.315 ( -0.145 2.430 -0.003) 2.434 9.990 ( 6.837 4.362 3.110) 8.686 10.226 ( 2.017 4.012 3.144) 5.481 10.245 ( 0.047 0.847 -1.490) 1.715 10.300 ( 0.575 1.268 1.641) 2.152======================= Grid point 2 (3/140) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.337 ( 5.028 -7.564 3.430) 9.709 0.487 ( 5.024 -6.371 1.568) 8.263 0.575 ( 2.601 -4.775 -1.474) 5.634 0.752 ( 8.108 -6.229 3.397) 10.774 0.842 ( 0.141 -3.238 -1.828) 3.721 0.888 ( 1.852 0.163 0.320) 1.887 0.972 ( -1.793 -1.555 -0.430) 2.412 1.083 ( 0.015 -1.648 1.073) 1.967 1.129 ( 0.368 -0.663 -1.154) 1.380 1.191 ( 3.332 -1.599 -0.573) 3.740 1.477 ( 1.453 0.466 1.019) 1.835 1.602 ( -3.125 -4.062 2.908) 5.893 1.641 ( -1.060 1.994 0.846) 2.411 1.682 ( 1.658 1.325 -3.665) 4.235 1.787 ( -0.537 -1.079 1.786) 2.155 1.905 ( 1.672 -2.301 -3.935) 4.856 2.128 ( -5.733 -7.816 0.261) 9.697 2.426 ( 1.316 -4.130 -6.665) 7.951 2.524 ( -3.354 -3.946 -1.239) 5.325 2.581 ( 0.796 -7.383 1.124) 7.510 2.684 ( -5.652 -3.881 -0.567) 6.880 2.752 ( -3.944 -4.945 2.375) 6.756 2.853 ( 1.035 0.841 0.752) 1.531 3.227 ( 1.814 -1.645 -4.234) 4.891 3.242 ( -0.600 -2.691 -2.889) 3.993 3.506 ( 3.860 -0.032 2.251) 4.468 4.382 ( -0.921 -0.057 2.841) 2.987 4.517 ( 5.180 3.116 -1.742) 6.291 4.961 ( -0.759 -5.681 -1.626) 5.958 5.199 ( 3.640 3.218 0.341) 4.870 5.516 ( 2.453 7.061 2.084) 7.760 8.332 ( -2.350 -0.044 0.043) 2.351 8.459 ( 0.728 -4.137 0.762) 4.269 8.637 ( 2.488 0.066 -0.087) 2.491 9.260 ( -0.192 3.604 0.006) 3.609 9.999 ( 4.695 2.374 1.634) 5.509 10.134 ( -2.137 5.021 -1.661) 5.705 10.267 ( 3.008 0.388 1.799) 3.526 10.276 ( -2.409 0.602 0.113) 2.485======================= Grid point 3 (4/140) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.523 ( 4.166 -7.590 1.581) 8.801 0.600 ( 0.239 -3.673 0.606) 3.730 0.665 ( 3.857 -2.624 0.779) 4.729 0.841 ( 0.554 -1.459 -1.963) 2.508 0.886 ( 0.968 0.265 -1.365) 1.694 0.941 ( 0.850 -2.424 1.657) 3.056 0.972 ( 0.303 0.255 1.359) 1.415 1.095 ( 1.459 -0.921 0.170) 1.733 1.151 ( 1.711 -1.274 -1.801) 2.792 1.285 ( 3.850 -3.239 0.199) 5.035 1.492 ( 2.899 0.420 0.173) 2.934 1.594 ( -3.233 0.641 2.626) 4.215 1.646 ( 0.477 1.284 0.652) 1.517 1.652 ( -0.866 -0.340 0.019) 0.930 1.752 ( -2.541 1.709 -1.356) 3.350 1.951 ( 2.312 -1.302 0.450) 2.691 2.274 ( -1.871 -11.232 -1.815) 11.530 2.448 ( -6.945 2.246 -0.337) 7.306 2.467 ( -1.794 -3.422 -6.265) 7.361 2.662 ( 2.050 -2.612 -1.081) 3.492 2.798 ( -0.693 -3.044 2.246) 3.846 2.832 ( -1.220 -5.574 2.499) 6.229 2.858 ( 0.057 -5.142 0.118) 5.143 3.237 ( 0.978 0.250 -0.829) 1.306 3.314 ( -0.022 -5.899 -2.728) 6.499 3.543 ( 2.973 0.524 1.363) 3.312 4.389 ( -0.534 -0.341 3.018) 3.084 4.504 ( 3.824 3.073 -1.612) 5.164 5.042 ( -1.092 -5.241 -1.316) 5.513 5.177 ( 3.993 3.990 0.629) 5.680 5.425 ( 2.174 6.633 1.229) 7.088 8.311 ( -1.826 -0.026 0.049) 1.827 8.544 ( 1.613 -3.885 1.354) 4.419 8.657 ( 0.844 -0.446 -0.743) 1.210 9.200 ( -0.148 3.068 0.016) 3.072 9.985 ( 1.817 5.599 1.289) 6.026 10.055 ( 1.734 0.996 -1.447) 2.469 10.230 ( -4.224 0.588 -0.510) 4.295 10.298 ( 1.805 -0.287 1.093) 2.130======================= Grid point 4 (5/140) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.632 ( -0.304 -1.463 -1.103) 1.857 0.668 ( 1.964 -3.552 1.663) 4.386 0.743 ( 2.888 -2.615 0.955) 4.012 0.823 ( -1.960 2.600 -0.511) 3.296 0.874 ( -0.271 0.063 -1.220) 1.251 0.959 ( 0.377 -0.247 0.765) 0.888 0.981 ( -0.107 -0.227 -0.064) 0.259 1.144 ( 2.481 -1.029 0.289) 2.702 1.174 ( 0.165 -0.490 -0.749) 0.910 1.353 ( 2.094 -1.021 -0.087) 2.331 1.520 ( 1.402 -0.558 0.426) 1.568 1.568 ( -1.917 -0.803 -1.507) 2.567 1.607 ( 0.492 3.540 4.026) 5.384 1.654 ( -1.028 -0.588 -0.998) 1.549 1.706 ( -1.583 0.412 -1.060) 1.949 2.010 ( 2.447 -1.666 1.717) 3.422 2.293 ( -3.736 1.739 -3.456) 5.378 2.442 ( -0.091 -2.802 2.014) 3.452 2.488 ( -1.443 -2.647 -2.967) 4.230 2.724 ( 2.949 -2.179 -1.776) 4.074 2.779 ( -2.659 1.380 1.574) 3.384 2.876 ( -0.319 -1.274 1.624) 2.089 2.985 ( 0.438 -4.456 -0.056) 4.478 3.237 ( 0.262 0.218 -0.143) 0.369 3.391 ( -0.013 -3.092 -0.846) 3.206 3.556 ( 1.157 0.569 0.420) 1.356 4.399 ( -0.274 -0.333 1.570) 1.628 4.485 ( 1.527 1.493 -0.965) 2.344 5.100 ( -1.704 -3.594 -0.980) 4.097 5.150 ( 2.822 3.275 0.730) 4.384 5.361 ( 0.953 2.816 0.434) 3.004 8.299 ( -0.681 -0.008 0.019) 0.681 8.617 ( 2.069 -1.573 1.574) 3.038 8.660 ( -1.180 -0.402 -1.326) 1.820 9.162 ( -0.055 1.186 0.010) 1.187 9.912 ( 0.062 2.805 0.084) 2.807 10.083 ( 3.350 -0.088 0.120) 3.353 10.177 ( -3.757 0.281 -0.562) 3.809 10.317 ( 0.643 -0.131 0.394) 0.765======================= Grid point 10 (6/140) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.187 ( 8.175 0.000 0.574) 8.195 0.215 ( 8.430 0.000 7.258) 11.124 0.519 ( 23.203 0.000 4.496) 23.635 0.527 ( 1.780 0.000 3.163) 3.629 0.787 ( -1.750 -0.000 -0.901) 1.968 0.922 ( -0.411 -0.000 -2.462) 2.496 0.924 ( 4.869 0.000 -0.716) 4.922 1.083 ( 0.546 0.000 4.049) 4.086 1.105 ( 1.659 0.000 -0.916) 1.895 1.185 ( -4.052 -0.000 -0.860) 4.142 1.218 ( -0.130 -0.000 -0.805) 0.815 1.543 ( -1.327 -0.000 -1.149) 1.755 1.550 ( 3.958 0.000 -0.337) 3.972 1.688 ( -4.372 -0.000 2.795) 5.189 1.732 ( 3.853 0.000 -11.862) 12.472 1.926 ( 1.975 0.000 0.583) 2.059 2.159 ( 2.982 0.000 -14.035) 14.349 2.192 ( -7.735 -0.000 -1.011) 7.801 2.317 ( 2.730 0.000 0.101) 2.732 2.458 ( 2.569 0.000 6.357) 6.857 2.514 ( 0.352 0.000 0.277) 0.448 2.751 ( -4.264 -0.000 1.291) 4.455 2.866 ( 1.156 0.000 0.694) 1.349 3.157 ( -0.467 -0.000 -7.724) 7.738 3.239 ( 2.187 0.000 -6.335) 6.702 3.504 ( 5.154 0.000 3.146) 6.039 4.384 ( -1.001 -0.000 3.205) 3.358 4.615 ( 7.280 0.000 -6.141) 9.524 4.811 ( 1.931 0.000 0.126) 1.935 5.262 ( 4.392 0.000 0.649) 4.440 5.669 ( 1.074 0.000 3.197) 3.373 8.344 ( -1.287 -0.000 0.648) 1.441 8.371 ( 0.018 0.000 -0.009) 0.020 8.643 ( 2.546 0.000 0.067) 2.547 9.335 ( -0.146 -0.000 0.066) 0.161 10.063 ( -0.004 -0.000 -0.010) 0.011 10.204 ( -3.576 -0.000 -2.874) 4.587 10.316 ( -0.455 -0.000 -0.365) 0.584 10.375 ( -0.650 -0.000 5.560) 5.598======================= Grid point 11 (7/140) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.334 ( 7.198 -2.230 6.573) 10.000 0.385 ( 4.193 -9.802 -0.730) 10.686 0.577 ( 4.517 -1.538 2.787) 5.526 0.778 ( 10.124 -2.309 2.159) 10.606 0.792 ( 5.068 -3.592 -0.174) 6.214 0.907 ( -0.115 0.184 -2.388) 2.398 0.970 ( 4.257 0.373 -0.337) 4.286 1.067 ( 0.724 -0.777 1.343) 1.712 1.119 ( 1.008 -0.565 -1.444) 1.850 1.212 ( 2.430 0.321 0.800) 2.578 1.328 ( -7.956 -12.578 0.399) 14.889 1.579 ( 1.523 0.005 -0.865) 1.751 1.607 ( -0.533 -2.977 -0.611) 3.086 1.668 ( -3.262 -7.013 1.901) 7.965 1.740 ( 3.318 0.223 -4.495) 5.591 1.917 ( 2.397 3.399 -2.154) 4.684 2.031 ( -5.229 2.169 -0.736) 5.708 2.257 ( -4.580 -8.228 -10.286) 13.945 2.423 ( 3.393 -7.252 -0.404) 8.016 2.506 ( -1.914 -0.974 2.073) 2.985 2.550 ( -0.604 -3.640 4.505) 5.824 2.719 ( -1.879 -1.170 2.249) 3.156 2.870 ( -0.042 0.824 0.830) 1.171 3.153 ( 0.790 -2.629 -7.884) 8.348 3.239 ( 0.908 -0.010 -2.611) 2.764 3.565 ( 5.287 0.427 2.713) 5.958 4.389 ( -0.143 0.155 3.848) 3.854 4.633 ( 6.634 3.594 -2.207) 7.861 4.875 ( 1.625 -4.086 -0.662) 4.447 5.296 ( 5.840 2.303 0.821) 6.331 5.652 ( 2.397 4.711 1.858) 5.603 8.329 ( -0.467 0.847 0.735) 1.215 8.399 ( 0.075 -3.079 0.146) 3.083 8.662 ( 1.690 0.277 -0.104) 1.715 9.313 ( -0.105 2.485 0.136) 2.491 10.059 ( 1.312 0.477 0.202) 1.411 10.156 ( -2.904 1.123 -2.211) 3.819 10.288 ( -2.204 1.514 -0.367) 2.699 10.338 ( 2.110 4.340 3.082) 5.725======================= Grid point 12 (8/140) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.476 ( 5.805 -4.495 4.115) 8.416 0.543 ( 2.378 -5.335 0.363) 5.853 0.666 ( 4.348 -2.797 1.153) 5.297 0.813 ( 0.588 -1.741 -0.886) 2.040 0.895 ( -0.156 0.381 -1.656) 1.707 0.933 ( 3.933 -0.726 -0.383) 4.018 1.010 ( 4.115 0.580 1.874) 4.558 1.103 ( 2.732 -1.048 0.449) 2.961 1.137 ( 1.088 -1.108 -1.865) 2.427 1.270 ( 3.652 -2.638 1.183) 4.657 1.437 ( -5.398 -8.146 0.436) 9.782 1.553 ( -3.871 0.020 -0.331) 3.885 1.618 ( 2.462 0.686 0.219) 2.566 1.733 ( 2.772 1.990 2.013) 3.962 1.794 ( -0.935 3.202 0.809) 3.433 1.921 ( 2.415 -7.054 -4.330) 8.622 2.024 ( -4.384 -9.375 1.130) 10.411 2.297 ( -6.604 -6.734 -9.431) 13.338 2.433 ( -3.674 2.330 -0.928) 4.448 2.599 ( 0.017 -4.108 0.940) 4.214 2.653 ( 1.594 -11.267 0.380) 11.386 2.795 ( 2.760 -3.989 6.035) 7.742 2.840 ( -1.758 1.720 0.187) 2.466 3.206 ( 0.794 -4.984 -5.718) 7.627 3.241 ( 0.232 -0.244 -1.231) 1.276 3.605 ( 4.365 1.543 1.857) 4.989 4.400 ( 0.391 0.315 3.781) 3.814 4.616 ( 5.235 4.788 -1.115) 7.181 4.957 ( 0.809 -4.150 -0.644) 4.277 5.303 ( 6.089 4.366 0.946) 7.552 5.577 ( 2.470 7.390 0.984) 7.854 8.315 ( 0.630 0.973 0.584) 1.298 8.471 ( -0.002 -5.051 0.165) 5.053 8.666 ( 0.273 0.399 -0.091) 0.492 9.258 ( -0.137 3.648 0.119) 3.653 10.076 ( 1.113 0.731 0.785) 1.546 10.090 ( 0.083 3.039 -1.527) 3.401 10.220 ( -2.950 2.638 0.195) 3.962 10.316 ( 1.036 1.273 0.470) 1.707======================= Grid point 13 (9/140) =======================q-point: ( 0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( 3.319 -2.854 -0.840) 4.457 0.637 ( 1.761 -3.676 3.476) 5.357 0.753 ( 4.226 -1.781 0.680) 4.636 0.845 ( 1.444 -0.786 -0.577) 1.742 0.868 ( -1.109 1.700 -0.868) 2.207 0.951 ( 0.208 -0.231 -0.521) 0.607 1.023 ( 2.796 2.049 2.039) 4.021 1.143 ( 0.501 -1.678 -2.030) 2.681 1.157 ( 0.316 -0.280 -0.478) 0.637 1.338 ( 0.053 -1.688 1.540) 2.286 1.493 ( -2.449 -3.519 -1.923) 4.699 1.534 ( -1.060 -1.040 -0.433) 1.547 1.631 ( 2.238 0.662 0.032) 2.334 1.697 ( -1.133 4.578 1.634) 4.991 1.736 ( 1.950 1.742 3.079) 4.040 1.998 ( 1.003 -2.154 0.786) 2.502 2.223 ( -1.851 -7.664 -3.760) 8.735 2.302 ( -6.087 -9.684 -0.474) 11.448 2.397 ( -0.726 -2.138 -4.362) 4.912 2.663 ( -0.716 -4.405 -1.415) 4.681 2.784 ( -2.321 1.901 0.316) 3.017 2.863 ( 1.391 -9.475 0.573) 9.594 2.899 ( 3.816 -1.749 4.920) 6.467 3.235 ( -0.857 -0.110 0.216) 0.890 3.297 ( 0.347 -6.278 -4.199) 7.561 3.610 ( 2.829 2.634 0.905) 3.970 4.408 ( 0.344 0.484 3.063) 3.120 4.570 ( 3.469 5.243 -1.034) 6.371 5.021 ( -0.429 -3.413 -0.534) 3.481 5.277 ( 5.131 5.684 1.112) 7.738 5.470 ( 1.649 7.588 0.246) 7.769 8.314 ( 1.964 0.886 0.437) 2.199 8.552 ( -1.239 -4.734 -0.832) 4.964 8.660 ( -0.269 -0.024 0.687) 0.739 9.198 ( -0.106 3.029 0.073) 3.031 9.990 ( -0.047 5.795 -0.186) 5.799 10.091 ( -1.948 0.284 -0.206) 1.980 10.184 ( 2.478 0.601 1.129) 2.788 10.307 ( -0.999 -0.120 -0.952) 1.385======================= Grid point 14 (10/140) =======================q-point: (-0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.644 ( 1.873 -0.499 -1.568) 2.493 0.696 ( -0.276 0.070 2.418) 2.435 0.787 ( -1.867 4.846 -0.393) 5.207 0.824 ( 4.821 -1.497 0.617) 5.086 0.875 ( 0.864 -0.566 0.079) 1.036 0.954 ( -0.171 -0.183 0.583) 0.635 1.015 ( 1.213 2.124 0.496) 2.496 1.132 ( -2.881 0.397 -0.570) 2.963 1.167 ( 0.421 -0.611 -1.452) 1.630 1.333 ( -3.790 0.338 2.372) 4.483 1.506 ( -2.290 -2.254 -3.649) 4.862 1.537 ( -0.979 0.733 -2.407) 2.700 1.620 ( 3.442 2.216 0.505) 4.124 1.675 ( 1.696 -0.225 1.831) 2.506 1.748 ( 2.464 0.835 4.228) 4.964 1.993 ( -3.705 0.864 -2.221) 4.405 2.275 ( 0.794 -5.202 3.216) 6.168 2.423 ( 0.578 -2.889 -5.037) 5.836 2.465 ( -0.470 -6.568 1.510) 6.756 2.721 ( -1.543 -4.540 -2.549) 5.430 2.729 ( -2.448 1.833 0.692) 3.136 2.941 ( 4.176 1.865 2.326) 5.131 2.995 ( 0.517 -3.231 0.252) 3.282 3.226 ( -1.444 -0.151 0.553) 1.553 3.379 ( -0.108 -3.855 -2.023) 4.355 3.581 ( 1.066 3.143 0.205) 3.325 4.409 ( 0.136 0.649 1.499) 1.639 4.510 ( 1.399 4.078 -0.651) 4.360 5.060 ( -1.541 -2.632 -0.333) 3.068 5.227 ( 3.679 5.674 1.325) 6.890 5.371 ( 0.085 4.633 -0.531) 4.664 8.327 ( 3.298 0.851 0.375) 3.426 8.575 ( -3.249 -1.400 -1.845) 3.990 8.675 ( -0.072 -0.927 1.241) 1.551 9.162 ( -0.003 1.103 0.046) 1.104 9.911 ( 0.037 2.881 -0.092) 2.883 10.054 ( -3.010 0.463 0.547) 3.094 10.228 ( 5.008 0.168 1.223) 5.158 10.291 ( -2.579 -0.693 -1.765) 3.201======================= Grid point 15 (11/140) =======================q-point: (-0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.604 ( -2.518 5.828 -2.014) 6.660 0.669 ( 0.258 3.767 0.494) 3.808 0.686 ( -0.799 3.128 0.901) 3.352 0.870 ( 0.070 1.978 1.821) 2.689 0.886 ( 0.610 0.144 0.471) 0.784 0.968 ( 0.762 1.401 -2.852) 3.267 0.975 ( 1.001 -0.134 0.732) 1.247 1.100 ( -1.322 0.394 1.097) 1.763 1.161 ( -0.038 1.293 -0.625) 1.437 1.285 ( -4.428 1.201 1.972) 4.994 1.472 ( -2.229 2.330 -1.586) 3.593 1.518 ( -2.643 -3.531 -4.722) 6.462 1.650 ( 2.704 -0.178 2.722) 3.841 1.690 ( 1.213 1.156 -0.345) 1.711 1.785 ( 3.580 -0.215 2.826) 4.566 1.934 ( -2.911 0.350 -2.161) 3.643 2.388 ( 0.770 -1.850 3.616) 4.134 2.472 ( 5.842 -2.396 -0.720) 6.355 2.502 ( -1.714 0.554 1.088) 2.105 2.678 ( -1.417 2.317 0.824) 2.838 2.764 ( -2.458 -3.772 -2.582) 5.190 2.934 ( 4.288 4.257 -0.493) 6.063 2.980 ( -0.167 4.983 0.608) 5.022 3.219 ( -1.602 -0.539 0.704) 1.831 3.392 ( 0.025 1.873 -0.248) 1.889 3.535 ( -0.600 2.410 -0.301) 2.502 4.399 ( 0.468 0.891 -0.900) 1.350 4.466 ( -0.905 1.296 0.763) 1.755 5.084 ( -1.845 -2.576 0.013) 3.168 5.166 ( 2.306 5.940 1.330) 6.509 5.331 ( -1.417 -1.357 -1.197) 2.298 8.351 ( 4.054 0.958 0.396) 4.184 8.546 ( -2.895 0.260 -1.318) 3.192 8.669 ( -1.612 1.189 0.326) 2.030 9.164 ( 0.094 -1.270 0.045) 1.274 9.901 ( -0.731 -1.755 -0.489) 1.963 10.034 ( -0.803 -0.417 1.734) 1.956 10.252 ( -1.059 0.090 -1.876) 2.156 10.286 ( 1.785 -0.298 0.505) 1.878======================= Grid point 16 (12/140) =======================q-point: (-0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.439 ( -2.518 9.029 -1.209) 9.451 0.548 ( -3.259 7.015 -0.852) 7.782 0.665 ( 2.864 4.017 2.313) 5.448 0.769 ( -5.501 4.984 -2.049) 7.701 0.881 ( -0.058 0.855 0.640) 1.070 0.911 ( 0.283 3.653 -0.337) 3.679 1.023 ( 3.558 0.521 -0.468) 3.626 1.114 ( -1.812 -1.857 1.678) 3.089 1.122 ( 1.654 2.350 -0.478) 2.913 1.212 ( -3.005 3.682 0.682) 4.801 1.429 ( -2.141 -0.783 -0.966) 2.476 1.554 ( -1.352 -4.600 -2.864) 5.585 1.651 ( -1.394 1.942 2.065) 3.159 1.691 ( 2.112 -0.153 -0.540) 2.185 1.833 ( 3.924 0.543 1.049) 4.098 1.905 ( -2.495 0.016 -0.213) 2.505 2.332 ( 2.959 9.318 0.283) 9.780 2.458 ( -3.065 1.300 1.413) 3.617 2.600 ( 4.507 -0.734 2.650) 5.279 2.635 ( 0.195 0.296 -0.498) 0.611 2.773 ( -1.679 0.257 -1.375) 2.185 2.841 ( -0.939 7.132 -0.228) 7.197 2.907 ( 4.229 4.788 -0.471) 6.406 3.214 ( -1.528 -0.336 1.084) 1.903 3.336 ( 0.570 4.562 1.166) 4.743 3.487 ( -1.478 1.805 -0.873) 2.491 4.389 ( 0.779 0.485 -1.544) 1.796 4.452 ( -1.958 -0.821 1.177) 2.428 5.078 ( 1.184 6.052 1.230) 6.289 5.119 ( -1.437 -2.847 -0.155) 3.193 5.378 ( -1.375 -5.834 -1.133) 6.100 8.373 ( 3.220 1.059 0.408) 3.414 8.503 ( -1.181 2.176 -0.712) 2.576 8.620 ( -2.471 1.362 -0.165) 2.826 9.204 ( 0.116 -3.114 0.039) 3.117 9.920 ( -2.097 -1.770 -0.879) 2.881 10.081 ( 1.577 -3.959 2.018) 4.715 10.224 ( -2.682 -0.181 -2.149) 3.442 10.307 ( 1.802 0.626 0.457) 1.961======================= Grid point 17 (13/140) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.264 ( -0.000 9.372 -0.000) 9.372 0.375 ( -0.000 10.245 -0.000) 10.245 0.607 ( -0.000 9.556 -0.000) 9.556 0.613 ( -0.000 5.492 -0.000) 5.492 0.857 ( -0.000 2.458 -0.000) 2.458 0.866 ( -0.000 0.840 -0.000) 0.840 1.013 ( -0.000 2.844 -0.000) 2.844 1.059 ( -0.000 3.210 -0.000) 3.210 1.126 ( -0.000 3.471 -0.000) 3.471 1.174 ( 0.000 -2.755 0.000) 2.755 1.447 ( 0.000 -2.335 0.000) 2.335 1.614 ( 0.000 -0.172 0.000) 0.172 1.627 ( 0.000 -3.230 0.000) 3.230 1.693 ( -0.000 1.943 -0.000) 1.943 1.802 ( -0.000 4.770 -0.000) 4.770 1.902 ( 0.000 -0.833 0.000) 0.833 2.202 ( -0.000 6.796 -0.000) 6.796 2.403 ( -0.000 3.387 -0.000) 3.387 2.550 ( -0.000 11.779 -0.000) 11.779 2.570 ( -0.000 2.961 -0.000) 2.961 2.787 ( 0.000 -2.313 0.000) 2.313 2.788 ( 0.000 -0.862 0.000) 0.862 2.872 ( -0.000 2.882 -0.000) 2.882 3.211 ( 0.000 -0.118 0.000) 0.118 3.272 ( -0.000 3.567 -0.000) 3.567 3.450 ( -0.000 1.026 -0.000) 1.026 4.387 ( 0.000 -0.023 0.000) 0.023 4.463 ( 0.000 -1.531 0.000) 1.531 4.989 ( -0.000 5.161 -0.000) 5.161 5.162 ( 0.000 -2.806 0.000) 2.806 5.474 ( 0.000 -6.257 0.000) 6.257 8.375 ( -0.000 0.811 -0.000) 0.811 8.444 ( -0.000 3.587 -0.000) 3.587 8.596 ( 0.000 -0.137 0.000) 0.137 9.263 ( 0.000 -3.604 0.000) 3.604 9.920 ( 0.000 -0.364 0.000) 0.364 10.184 ( 0.000 -5.599 0.000) 5.599 10.200 ( -0.000 0.310 -0.000) 0.310 10.302 ( -0.000 0.945 -0.000) 0.945======================= Grid point 20 (14/140) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.321 ( 5.904 0.000 -1.689) 6.141 0.424 ( 7.895 0.000 5.986) 9.908 0.607 ( 2.777 0.000 4.658) 5.423 0.761 ( 0.072 0.000 -0.684) 0.688 0.894 ( 0.500 0.000 -2.808) 2.852 0.950 ( 16.142 0.000 1.920) 16.256 1.008 ( 3.107 0.000 -1.172) 3.321 1.095 ( -1.130 -0.000 1.205) 1.652 1.098 ( -2.983 -0.000 -0.041) 2.983 1.121 ( 0.812 0.000 -2.014) 2.171 1.256 ( 3.220 0.000 2.011) 3.796 1.503 ( -1.494 -0.000 -1.757) 2.307 1.576 ( -5.515 -0.000 0.613) 5.549 1.646 ( 4.874 0.000 -0.073) 4.875 1.778 ( 4.652 0.000 -2.578) 5.319 1.958 ( 0.611 0.000 -0.058) 0.613 2.014 ( -9.562 -0.000 -0.329) 9.568 2.098 ( -0.692 -0.000 -11.093) 11.115 2.392 ( 4.184 0.000 0.627) 4.231 2.514 ( -0.940 -0.000 -0.803) 1.236 2.539 ( 0.873 0.000 7.913) 7.961 2.678 ( -3.043 -0.000 2.107) 3.701 2.883 ( -0.478 -0.000 1.546) 1.618 3.117 ( 2.270 0.000 -9.300) 9.573 3.237 ( 0.103 0.000 -1.449) 1.452 3.633 ( 5.498 0.000 2.429) 6.011 4.407 ( 0.690 0.000 4.211) 4.267 4.724 ( 5.713 0.000 -1.657) 5.948 4.863 ( 2.990 0.000 0.191) 2.997 5.386 ( 7.154 0.000 1.077) 7.234 5.721 ( 2.386 0.000 1.052) 2.607 8.342 ( 0.897 0.000 0.863) 1.245 8.372 ( 0.014 0.000 -0.024) 0.028 8.674 ( 0.134 0.000 -0.158) 0.207 9.335 ( -0.083 -0.000 0.201) 0.217 10.062 ( 0.000 0.000 -0.012) 0.012 10.137 ( -0.962 -0.000 -1.457) 1.745 10.266 ( -3.641 -0.000 -1.610) 3.981 10.399 ( 0.202 0.000 2.184) 2.193======================= Grid point 21 (15/140) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.454 ( 3.899 -7.208 0.302) 8.200 0.522 ( 6.935 -1.043 3.578) 7.873 0.660 ( 1.884 -2.247 2.047) 3.576 0.793 ( 1.713 -1.869 0.813) 2.662 0.892 ( 0.895 -0.031 -1.988) 2.180 0.983 ( 1.927 2.090 0.021) 2.843 1.051 ( 2.562 -0.785 -0.667) 2.761 1.102 ( 0.367 -0.693 -1.871) 2.029 1.136 ( 1.065 -0.798 -0.470) 1.412 1.223 ( 0.680 -9.889 1.242) 9.990 1.289 ( 3.361 -0.013 2.358) 4.106 1.513 ( -2.964 -0.555 0.218) 3.023 1.619 ( -1.566 -10.773 -0.580) 10.901 1.690 ( 4.553 -0.730 0.394) 4.628 1.804 ( 3.365 1.407 0.715) 3.717 1.876 ( -6.161 3.961 -1.834) 7.551 1.961 ( -0.153 -0.671 0.096) 0.695 2.104 ( -3.695 -5.097 -9.957) 11.780 2.454 ( -2.158 3.192 -0.181) 3.858 2.506 ( 3.025 -7.218 0.847) 7.872 2.568 ( -0.402 -0.919 2.786) 2.961 2.734 ( 0.497 -5.809 4.461) 7.341 2.867 ( -0.720 1.140 1.754) 2.212 3.134 ( 2.302 -2.394 -8.127) 8.780 3.233 ( -0.510 -0.104 -0.572) 0.773 3.682 ( 4.641 1.239 1.792) 5.126 4.427 ( 1.020 0.392 3.823) 3.976 4.738 ( 4.584 3.562 -0.538) 5.830 4.916 ( 2.353 -2.363 -0.026) 3.335 5.438 ( 7.346 2.946 1.182) 8.003 5.707 ( 2.144 4.543 0.405) 5.039 8.350 ( 2.192 0.960 0.619) 2.471 8.399 ( -0.032 -3.026 -0.093) 3.027 8.665 ( -1.464 0.161 0.042) 1.474 9.311 ( -0.221 2.542 0.137) 2.555 10.071 ( -0.333 -0.755 0.061) 0.827 10.128 ( 1.580 0.950 -0.293) 1.867 10.212 ( -4.332 0.855 -1.617) 4.702 10.375 ( 0.351 3.172 0.903) 3.316======================= Grid point 22 (16/140) =======================q-point: ( 0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.594 ( 2.429 -4.861 2.814) 6.119 0.606 ( 4.104 -1.330 0.179) 4.317 0.745 ( 3.535 -3.948 -0.125) 5.301 0.839 ( 1.642 -1.077 1.143) 2.272 0.895 ( 1.084 0.983 -0.123) 1.469 0.961 ( 0.161 1.312 -1.008) 1.662 1.072 ( -0.010 -0.046 0.727) 0.729 1.107 ( -1.558 -0.979 -2.038) 2.745 1.150 ( 0.523 -0.810 -0.953) 1.356 1.320 ( 0.548 -1.310 1.529) 2.086 1.379 ( -0.572 -5.811 0.553) 5.865 1.513 ( 0.650 -1.103 0.547) 1.392 1.675 ( 1.587 1.069 1.333) 2.332 1.761 ( -0.677 3.295 -1.185) 3.567 1.796 ( 0.573 1.786 3.713) 4.160 1.927 ( 0.952 -16.566 -2.890) 16.843 1.987 ( -0.992 -3.545 1.570) 4.002 2.111 ( -5.693 -4.660 -7.681) 10.636 2.386 ( 0.021 1.626 -0.895) 1.856 2.587 ( -1.782 -2.463 -0.380) 3.064 2.699 ( 2.193 -10.742 0.473) 10.974 2.790 ( -1.650 0.672 0.299) 1.807 2.919 ( 3.537 -3.947 7.206) 8.945 3.182 ( 0.884 -4.626 -7.190) 8.595 3.226 ( -1.133 -0.081 -0.054) 1.137 3.692 ( 3.189 2.790 1.020) 4.358 4.437 ( 0.808 0.838 2.946) 3.168 4.698 ( 3.342 5.552 -0.343) 6.489 4.975 ( 1.052 -2.407 -0.101) 2.629 5.437 ( 6.285 5.724 1.258) 8.594 5.619 ( 1.283 7.635 -0.128) 7.743 8.363 ( 3.709 1.144 0.435) 3.906 8.460 ( -0.783 -4.360 -0.634) 4.475 8.645 ( -2.545 -0.248 0.496) 2.605 9.255 ( -0.195 3.601 0.067) 3.606 10.065 ( -0.747 0.769 0.654) 1.256 10.098 ( -0.339 4.711 -0.843) 4.798 10.187 ( -0.380 -2.272 0.124) 2.307 10.323 ( 0.107 2.926 -0.514) 2.972======================= Grid point 23 (17/140) =======================q-point: ( 0.56 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.654 ( 2.694 -0.623 -1.170) 3.002 0.681 ( 0.511 -2.606 2.412) 3.588 0.837 ( 0.729 0.492 -0.947) 1.292 0.840 ( 1.435 -0.164 0.156) 1.452 0.885 ( 1.818 0.277 1.631) 2.458 0.955 ( 0.855 -0.143 -0.097) 0.873 1.056 ( -1.443 1.575 0.595) 2.217 1.090 ( -3.092 -0.993 -1.179) 3.455 1.174 ( 2.839 -0.180 -1.433) 3.185 1.320 ( -2.241 1.032 2.048) 3.206 1.428 ( -2.117 -2.569 -1.716) 3.745 1.544 ( 1.132 -0.115 -0.197) 1.154 1.694 ( 1.993 -0.445 1.595) 2.591 1.705 ( 2.845 3.532 -0.716) 4.592 1.791 ( 0.152 0.612 4.586) 4.629 1.963 ( -3.423 1.319 -2.690) 4.549 2.143 ( -3.454 -7.901 -0.991) 8.680 2.243 ( -0.067 -16.608 -1.340) 16.662 2.409 ( 3.537 -1.896 -0.656) 4.066 2.610 ( -3.671 -4.006 -1.795) 5.723 2.747 ( -1.020 2.075 0.300) 2.332 2.890 ( 0.963 -8.935 0.157) 8.988 3.020 ( 4.315 -0.052 4.802) 6.456 3.211 ( -1.821 0.088 0.378) 1.862 3.267 ( -0.152 -7.253 -4.489) 8.531 3.659 ( 1.597 4.030 0.338) 4.347 4.434 ( 0.387 1.162 1.826) 2.198 4.620 ( 1.925 6.453 -0.428) 6.747 5.015 ( -0.074 -1.826 -0.083) 1.830 5.382 ( 4.365 7.294 1.347) 8.607 5.488 ( 0.115 8.253 -0.628) 8.277 8.388 ( 4.916 1.171 0.260) 5.060 8.508 ( -1.927 -2.760 -0.820) 3.464 8.635 ( -2.992 -1.910 0.461) 3.580 9.197 ( -0.074 2.926 0.033) 2.927 9.996 ( 0.035 6.056 -0.165) 6.058 10.047 ( -0.540 0.886 1.369) 1.718 10.225 ( -2.167 -2.462 -1.308) 3.531 10.290 ( 2.092 1.488 -0.058) 2.568======================= Grid point 24 (18/140) =======================q-point: (-0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( 0.182 2.464 -1.285) 2.785 0.714 ( 0.962 -0.130 0.976) 1.377 0.741 ( -2.150 4.921 0.369) 5.383 0.890 ( 0.232 -0.033 -0.081) 0.248 0.927 ( 4.088 -0.229 0.640) 4.145 0.973 ( 0.832 -0.925 2.441) 2.740 0.997 ( -1.108 2.879 -2.130) 3.749 1.075 ( -2.836 -0.710 0.115) 2.926 1.197 ( 3.766 0.700 -2.248) 4.442 1.268 ( -4.364 1.693 2.897) 5.505 1.436 ( -1.528 -2.028 -2.089) 3.288 1.511 ( -0.554 3.780 -0.910) 3.927 1.689 ( 2.160 1.039 0.972) 2.587 1.723 ( 1.315 1.202 0.332) 1.813 1.816 ( 1.920 -0.786 3.668) 4.214 1.894 ( -3.468 0.245 -3.357) 4.833 2.277 ( -1.314 -9.534 1.164) 9.695 2.448 ( 0.938 -7.151 -1.676) 7.404 2.489 ( 3.637 -2.411 1.863) 4.744 2.639 ( -4.116 -4.887 -2.006) 6.697 2.709 ( -0.313 1.613 0.156) 1.650 2.996 ( 0.395 -2.275 -0.113) 2.312 3.039 ( 2.602 2.773 1.205) 3.989 3.196 ( -1.479 -0.449 0.500) 1.625 3.365 ( -0.082 -4.550 -1.261) 4.722 3.597 ( 0.370 4.397 0.015) 4.413 4.419 ( 0.100 1.242 0.613) 1.388 4.527 ( 0.554 5.451 -0.232) 5.484 5.038 ( -0.510 -1.549 -0.014) 1.631 5.303 ( 2.809 6.546 1.587) 7.298 5.354 ( -1.271 5.964 -1.290) 6.233 8.417 ( 4.596 1.417 0.136) 4.811 8.510 ( -2.471 -0.788 -0.132) 2.598 8.645 ( -2.380 -1.723 -0.303) 2.953 9.162 ( 0.004 1.003 0.022) 1.003 9.914 ( 0.142 3.332 0.008) 3.335 10.038 ( 0.375 0.576 1.537) 1.684 10.213 ( -2.823 -0.835 -2.113) 3.624 10.310 ( 2.107 -0.185 0.610) 2.201======================= Grid point 25 (19/140) =======================q-point: (-0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -0.000 7.261 -0.000) 7.261 0.637 ( -0.000 5.480 -0.000) 5.480 0.729 ( -0.000 0.488 -0.000) 0.488 0.838 ( -0.000 6.601 -0.000) 6.601 0.901 ( -0.000 1.621 -0.000) 1.621 0.962 ( -0.000 1.893 -0.000) 1.893 1.044 ( 0.000 -4.085 0.000) 4.085 1.056 ( -0.000 0.475 -0.000) 0.475 1.183 ( -0.000 3.384 -0.000) 3.384 1.230 ( -0.000 0.238 -0.000) 0.238 1.437 ( -0.000 3.322 -0.000) 3.322 1.471 ( 0.000 -3.593 0.000) 3.593 1.687 ( -0.000 2.608 -0.000) 2.608 1.698 ( 0.000 -0.062 0.000) 0.062 1.861 ( 0.000 -0.869 0.000) 0.869 1.872 ( 0.000 -0.859 0.000) 0.859 2.405 ( 0.000 -5.150 0.000) 5.150 2.472 ( -0.000 3.764 -0.000) 3.764 2.571 ( 0.000 -4.172 0.000) 4.172 2.670 ( -0.000 1.176 -0.000) 1.176 2.700 ( 0.000 -3.346 0.000) 3.346 2.971 ( -0.000 5.390 -0.000) 5.390 2.994 ( -0.000 3.810 -0.000) 3.810 3.201 ( 0.000 -0.575 0.000) 0.575 3.391 ( -0.000 1.125 -0.000) 1.125 3.528 ( -0.000 3.666 -0.000) 3.666 4.402 ( -0.000 0.936 -0.000) 0.936 4.460 ( -0.000 2.508 -0.000) 2.508 5.066 ( 0.000 -2.240 0.000) 2.240 5.202 ( -0.000 7.249 -0.000) 7.249 5.304 ( 0.000 -1.323 0.000) 1.323 8.417 ( -0.000 1.635 -0.000) 1.635 8.505 ( 0.000 -0.356 0.000) 0.356 8.634 ( -0.000 1.261 -0.000) 1.261 9.165 ( 0.000 -1.337 0.000) 1.337 9.891 ( 0.000 -0.352 0.000) 0.352 10.048 ( 0.000 -1.249 0.000) 1.249 10.203 ( 0.000 -0.237 0.000) 0.237 10.324 ( -0.000 0.099 -0.000) 0.099======================= Grid point 30 (20/140) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.419 ( 5.489 0.000 -1.863) 5.796 0.599 ( 6.392 0.000 3.918) 7.497 0.644 ( -1.410 -0.000 1.712) 2.218 0.806 ( 3.346 0.000 2.146) 3.975 0.902 ( 2.090 0.000 -1.268) 2.444 0.996 ( -1.714 -0.000 0.424) 1.766 1.031 ( -3.716 -0.000 0.336) 3.731 1.083 ( -1.713 -0.000 -2.202) 2.790 1.109 ( 2.298 0.000 -1.214) 2.599 1.224 ( 6.928 0.000 -0.722) 6.966 1.336 ( 2.777 0.000 2.459) 3.709 1.469 ( -0.761 -0.000 -1.317) 1.521 1.510 ( -0.926 -0.000 1.230) 1.540 1.740 ( 3.198 0.000 1.831) 3.685 1.818 ( -9.348 -0.000 -0.222) 9.350 1.857 ( 2.833 0.000 0.906) 2.974 1.952 ( -0.745 -0.000 -0.475) 0.883 2.017 ( 1.612 0.000 -11.027) 11.144 2.456 ( -3.669 -0.000 -0.266) 3.678 2.478 ( 3.671 0.000 0.717) 3.740 2.599 ( 0.407 0.000 6.168) 6.181 2.681 ( 1.634 0.000 1.124) 1.984 2.864 ( -2.322 -0.000 1.416) 2.720 3.117 ( 2.930 0.000 -7.111) 7.691 3.224 ( -0.754 -0.000 -0.174) 0.774 3.742 ( 3.960 0.000 1.408) 4.203 4.453 ( 1.067 0.000 3.197) 3.371 4.807 ( 3.114 0.000 -0.033) 3.114 4.923 ( 2.670 0.000 0.169) 2.675 5.543 ( 7.411 0.000 1.271) 7.519 5.764 ( 1.340 0.000 -0.140) 1.347 8.372 ( -0.002 -0.000 -0.031) 0.031 8.390 ( 3.377 0.000 0.148) 3.380 8.644 ( -3.032 -0.000 0.327) 3.049 9.331 ( -0.284 -0.000 0.104) 0.302 10.062 ( 0.007 0.000 -0.006) 0.010 10.142 ( -1.584 -0.000 0.250) 1.603 10.182 ( -0.003 -0.000 -1.509) 1.509 10.401 ( -0.981 -0.000 0.157) 0.994======================= Grid point 31 (21/140) =======================q-point: ( 0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.531 ( 3.970 -5.847 -0.685) 7.100 0.629 ( 0.385 -0.339 1.424) 1.514 0.706 ( 3.379 -3.944 1.596) 5.434 0.849 ( 2.073 -0.521 1.483) 2.601 0.920 ( 1.855 0.262 0.276) 1.894 0.975 ( -1.459 1.137 -0.499) 1.916 1.022 ( -2.530 -2.807 0.094) 3.780 1.061 ( -2.151 -0.398 -1.570) 2.693 1.142 ( 1.819 -1.626 -1.143) 2.694 1.289 ( 1.038 -2.888 -0.152) 3.073 1.357 ( 1.678 0.528 1.700) 2.446 1.510 ( 1.633 -1.502 0.714) 2.331 1.592 ( -0.667 -11.642 -0.597) 11.677 1.726 ( -4.032 0.108 -0.264) 4.042 1.771 ( -1.194 -0.281 2.873) 3.123 1.863 ( 2.073 1.650 -0.685) 2.737 1.957 ( -0.810 -1.554 -0.227) 1.767 2.017 ( 1.703 -0.232 -7.167) 7.370 2.411 ( -1.555 1.115 0.249) 1.930 2.565 ( 0.123 0.659 0.422) 0.792 2.573 ( 1.323 -4.845 1.272) 5.181 2.776 ( 1.578 -3.040 0.994) 3.566 2.868 ( -1.259 -4.619 3.873) 6.158 3.130 ( 1.895 -0.862 -5.913) 6.269 3.216 ( -0.851 0.063 0.110) 0.860 3.764 ( 2.638 1.778 0.852) 3.293 4.466 ( 0.729 0.588 2.175) 2.369 4.803 ( 2.114 3.360 0.105) 3.971 4.958 ( 1.611 -1.228 0.086) 2.028 5.586 ( 6.288 3.595 1.280) 7.355 5.731 ( 0.087 4.545 -0.541) 4.578 8.393 ( -0.022 -2.466 -0.013) 2.466 8.422 ( 4.286 0.593 -0.395) 4.345 8.610 ( -4.117 -0.055 0.667) 4.171 9.307 ( -0.140 2.511 0.083) 2.517 10.062 ( -0.587 0.168 0.324) 0.691 10.116 ( -3.342 -1.167 -1.588) 3.880 10.193 ( 3.775 1.941 1.181) 4.406 10.365 ( -1.370 2.251 -0.650) 2.714======================= Grid point 32 (22/140) =======================q-point: ( 0.56 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.639 ( 1.272 -3.687 0.624) 3.950 0.656 ( 0.722 -1.666 -0.040) 1.816 0.809 ( 2.271 -3.964 -0.085) 4.569 0.860 ( -0.562 1.145 0.314) 1.313 0.917 ( 0.623 0.996 1.571) 1.962 0.962 ( 1.001 -0.168 -0.786) 1.284 1.038 ( -1.629 -1.177 -0.332) 2.037 1.044 ( -2.000 -0.614 -0.762) 2.227 1.183 ( 1.589 -1.363 -0.714) 2.211 1.338 ( 0.318 0.115 0.805) 0.873 1.362 ( -1.127 -2.215 0.536) 2.542 1.549 ( 1.442 -0.900 0.130) 1.705 1.703 ( 1.558 -1.669 0.651) 2.374 1.758 ( -1.275 0.055 2.287) 2.619 1.790 ( -1.355 -1.712 -0.867) 2.349 1.937 ( 1.131 -14.070 -0.524) 14.125 1.975 ( -0.774 1.462 -0.696) 1.794 2.000 ( -1.454 -4.071 -2.610) 5.050 2.421 ( 2.948 -1.537 0.251) 3.335 2.525 ( -3.370 -0.200 -0.739) 3.456 2.734 ( 0.941 -9.896 0.173) 9.942 2.775 ( -0.171 1.644 0.004) 1.653 3.024 ( 1.946 -7.995 6.692) 10.606 3.139 ( -0.295 -1.852 -6.891) 7.141 3.207 ( -0.629 -0.001 0.378) 0.734 3.740 ( 1.149 3.508 0.306) 3.704 4.462 ( 0.307 1.105 1.047) 1.553 4.741 ( 1.096 5.761 -0.028) 5.864 4.991 ( 0.468 -1.373 0.021) 1.451 5.554 ( 4.341 6.898 1.251) 8.246 5.618 ( -1.297 7.553 -0.875) 7.714 8.440 ( -0.050 -2.534 -0.824) 2.665 8.461 ( 5.062 -0.008 0.492) 5.086 8.571 ( -5.006 -0.780 0.365) 5.079 9.253 ( -0.036 3.572 0.033) 3.573 10.040 ( -1.223 1.400 0.071) 1.860 10.113 ( 1.496 0.839 0.566) 1.806 10.173 ( -1.077 2.062 -0.587) 2.399 10.324 ( 0.258 1.091 -0.286) 1.157======================= Grid point 33 (23/140) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.677 ( -0.000 0.035 -0.000) 0.035 0.695 ( 0.000 -2.363 0.000) 2.363 0.809 ( -0.000 3.911 -0.000) 3.911 0.873 ( 0.000 -2.308 0.000) 2.308 0.927 ( 0.000 -0.969 0.000) 0.969 0.975 ( 0.000 -0.423 0.000) 0.423 1.028 ( -0.000 1.306 -0.000) 1.306 1.043 ( 0.000 -0.883 0.000) 0.883 1.210 ( 0.000 -0.916 0.000) 0.916 1.298 ( -0.000 3.327 -0.000) 3.327 1.400 ( 0.000 -1.680 0.000) 1.680 1.556 ( -0.000 1.302 -0.000) 1.302 1.730 ( -0.000 2.195 -0.000) 2.195 1.748 ( -0.000 0.229 -0.000) 0.229 1.796 ( 0.000 -2.764 0.000) 2.764 1.899 ( -0.000 3.589 -0.000) 3.589 2.105 ( 0.000 -9.076 0.000) 9.076 2.240 ( 0.000 -16.669 0.000) 16.669 2.495 ( 0.000 -0.704 0.000) 0.704 2.517 ( 0.000 -5.166 0.000) 5.166 2.741 ( -0.000 2.127 -0.000) 2.127 2.900 ( 0.000 -8.486 0.000) 8.486 3.099 ( -0.000 1.964 -0.000) 1.964 3.176 ( 0.000 -1.976 0.000) 1.976 3.249 ( 0.000 -7.278 0.000) 7.278 3.676 ( -0.000 4.549 -0.000) 4.549 4.444 ( -0.000 1.372 -0.000) 1.372 4.638 ( -0.000 6.811 -0.000) 6.811 5.014 ( 0.000 -1.236 0.000) 1.236 5.450 ( -0.000 8.384 -0.000) 8.384 5.469 ( -0.000 8.058 -0.000) 8.058 8.473 ( 0.000 -1.507 0.000) 1.507 8.479 ( -0.000 1.885 -0.000) 1.885 8.578 ( 0.000 -3.662 0.000) 3.662 9.196 ( -0.000 2.897 -0.000) 2.897 9.988 ( -0.000 4.281 -0.000) 4.281 10.076 ( -0.000 3.444 -0.000) 3.444 10.167 ( 0.000 -2.135 0.000) 2.135 10.320 ( -0.000 0.099 -0.000) 0.099======================= Grid point 40 (24/140) =======================q-point: ( 0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.514 ( 5.035 0.000 -1.851) 5.365 0.600 ( -3.736 -0.000 1.861) 4.174 0.717 ( 2.956 0.000 1.552) 3.338 0.866 ( 1.118 0.000 0.727) 1.334 0.938 ( 0.519 0.000 1.149) 1.261 0.966 ( -1.214 -0.000 -1.135) 1.662 0.994 ( 0.731 0.000 0.747) 1.045 1.038 ( -1.057 -0.000 -0.844) 1.353 1.130 ( 0.612 0.000 -0.903) 1.091 1.263 ( -0.532 -0.000 -1.048) 1.175 1.384 ( 0.822 0.000 0.938) 1.247 1.456 ( -0.128 -0.000 -0.443) 0.461 1.535 ( 1.400 0.000 0.490) 1.483 1.671 ( -4.418 -0.000 -0.115) 4.420 1.774 ( -0.575 -0.000 1.860) 1.947 1.892 ( 1.632 0.000 -1.578) 2.270 1.935 ( -0.491 -0.000 -0.230) 0.542 2.035 ( 2.907 0.000 -3.030) 4.198 2.395 ( -2.022 -0.000 0.257) 2.039 2.534 ( 1.437 0.000 0.326) 1.473 2.633 ( 0.164 0.000 2.236) 2.242 2.729 ( 2.260 0.000 -0.112) 2.263 2.819 ( -2.425 -0.000 0.805) 2.555 3.128 ( 1.242 0.000 -2.612) 2.893 3.211 ( -0.443 -0.000 0.040) 0.445 3.803 ( 1.428 0.000 0.458) 1.500 4.483 ( 0.384 0.000 1.120) 1.184 4.847 ( 0.925 0.000 0.158) 0.938 4.962 ( 1.066 0.000 0.067) 1.068 5.678 ( 4.923 0.000 1.146) 5.054 5.762 ( -1.372 -0.000 -0.787) 1.582 8.371 ( -0.005 -0.000 -0.015) 0.016 8.470 ( 4.585 0.000 -0.832) 4.660 8.569 ( -4.557 -0.000 0.991) 4.664 9.329 ( 0.002 0.000 0.088) 0.088 10.063 ( 0.005 0.000 -0.002) 0.005 10.068 ( -2.363 -0.000 -0.844) 2.510 10.258 ( 4.139 0.000 1.556) 4.422 10.359 ( -2.716 -0.000 -1.193) 2.966======================= Grid point 41 (25/140) =======================q-point: (-0.44 -0.56 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.598 ( 0.000 -4.637 0.000) 4.637 0.598 ( 0.000 -2.470 0.000) 2.470 0.759 ( 0.000 -2.901 0.000) 2.901 0.871 ( -0.000 0.253 -0.000) 0.253 0.937 ( -0.000 0.668 -0.000) 0.668 0.959 ( 0.000 -0.285 0.000) 0.285 1.009 ( 0.000 -1.037 0.000) 1.037 1.031 ( -0.000 0.083 -0.000) 0.083 1.157 ( 0.000 -2.238 0.000) 2.238 1.283 ( 0.000 -3.022 0.000) 3.022 1.379 ( -0.000 1.189 -0.000) 1.189 1.535 ( 0.000 -3.261 0.000) 3.261 1.585 ( 0.000 -10.221 0.000) 10.221 1.672 ( 0.000 -2.882 0.000) 2.882 1.763 ( -0.000 1.007 -0.000) 1.007 1.886 ( -0.000 1.157 -0.000) 1.157 1.944 ( 0.000 -1.470 0.000) 1.470 2.025 ( -0.000 2.457 -0.000) 2.457 2.398 ( 0.000 -1.635 0.000) 1.635 2.558 ( -0.000 5.009 -0.000) 5.009 2.597 ( 0.000 -6.347 0.000) 6.347 2.798 ( -0.000 0.988 -0.000) 0.988 2.867 ( 0.000 -10.358 0.000) 10.358 3.129 ( -0.000 0.170 -0.000) 0.170 3.207 ( -0.000 0.168 -0.000) 0.168 3.794 ( -0.000 1.973 -0.000) 1.973 4.481 ( -0.000 0.648 -0.000) 0.648 4.824 ( -0.000 3.249 -0.000) 3.249 4.975 ( 0.000 -0.821 0.000) 0.821 5.681 ( -0.000 3.642 -0.000) 3.642 5.705 ( -0.000 4.782 -0.000) 4.782 8.391 ( 0.000 -2.240 0.000) 2.240 8.506 ( 0.000 -0.583 0.000) 0.583 8.529 ( -0.000 0.908 -0.000) 0.908 9.307 ( -0.000 2.541 -0.000) 2.541 10.050 ( -0.000 0.593 -0.000) 0.593 10.081 ( 0.000 -2.072 0.000) 2.072 10.254 ( -0.000 4.008 -0.000) 4.008 10.332 ( -0.000 0.359 -0.000) 0.359======================= Grid point 83 (26/140) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.114 ( 0.813 0.000 5.537) 5.597 0.224 ( 6.118 0.000 12.002) 13.472 0.370 ( -2.459 -0.000 19.453) 19.608 0.528 ( 1.555 0.000 2.976) 3.358 0.820 ( -0.511 -0.000 -1.297) 1.394 0.848 ( -0.470 -0.000 -0.259) 0.536 0.892 ( -0.313 -0.000 -4.184) 4.195 1.008 ( 2.371 0.000 0.128) 2.374 1.100 ( 0.404 0.000 1.190) 1.257 1.221 ( -0.914 -0.000 -0.473) 1.029 1.232 ( -1.119 -0.000 -0.040) 1.120 1.469 ( 1.437 0.000 -4.058) 4.305 1.516 ( 0.620 0.000 -4.406) 4.450 1.588 ( -6.185 -0.000 -3.626) 7.170 1.810 ( 0.627 0.000 3.611) 3.665 1.918 ( 0.215 0.000 1.756) 1.769 2.278 ( -1.357 -0.000 -1.759) 2.222 2.314 ( -2.232 -0.000 1.804) 2.870 2.437 ( 6.652 0.000 5.912) 8.899 2.479 ( -1.775 -0.000 -1.904) 2.603 2.565 ( -10.980 -0.000 2.313) 11.221 2.785 ( 2.273 0.000 -1.088) 2.520 2.853 ( -0.565 -0.000 0.286) 0.633 3.126 ( -5.133 -0.000 -7.241) 8.876 3.461 ( 2.190 0.000 2.707) 3.482 3.784 ( -36.298 -0.000 0.423) 36.300 4.376 ( -0.434 -0.000 -1.456) 1.520 4.575 ( -14.426 -0.000 1.026) 14.462 4.793 ( 0.044 0.000 0.182) 0.188 5.216 ( 0.545 0.000 0.173) 0.572 5.708 ( 1.109 0.000 0.480) 1.208 8.366 ( -0.196 -0.000 0.452) 0.493 8.371 ( -0.004 -0.000 -0.007) 0.008 8.605 ( 0.549 0.000 -0.451) 0.711 9.335 ( -0.133 -0.000 -0.289) 0.318 10.041 ( 20.372 0.000 0.851) 20.390 10.063 ( -0.006 -0.000 -0.007) 0.010 10.257 ( -2.150 -0.000 -1.921) 2.883 10.332 ( 2.084 0.000 1.319) 2.466======================= Grid point 84 (27/140) =======================q-point: ( 0.11 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.316 ( 2.256 -9.334 3.834) 10.340 0.381 ( 4.600 -3.904 10.655) 12.245 0.451 ( 6.658 -2.099 6.442) 9.499 0.640 ( 4.592 -7.287 6.864) 11.014 0.796 ( -1.558 -0.414 -1.764) 2.390 0.869 ( 1.234 -0.526 -0.598) 1.469 0.901 ( 0.371 -2.818 -3.789) 4.737 1.037 ( 2.204 -1.097 -0.439) 2.500 1.111 ( 0.129 -1.150 1.155) 1.635 1.195 ( -0.577 1.674 -0.375) 1.810 1.399 ( 2.102 -9.359 -7.370) 12.097 1.492 ( 2.038 -3.856 -4.550) 6.302 1.543 ( -2.011 -1.042 -2.858) 3.647 1.603 ( 0.352 -10.882 -5.050) 12.002 1.807 ( -2.983 0.192 3.789) 4.826 1.912 ( 0.058 2.272 3.762) 4.395 2.197 ( -8.297 4.844 3.524) 10.233 2.296 ( -2.434 0.148 0.040) 2.439 2.384 ( 0.730 -8.237 1.419) 8.391 2.530 ( -0.787 -1.253 0.744) 1.656 2.685 ( -4.193 -11.561 3.816) 12.877 2.767 ( -2.237 2.753 -1.057) 3.701 2.848 ( 2.227 0.769 -0.034) 2.356 3.085 ( -3.458 -3.729 -7.706) 9.233 3.415 ( -16.038 4.777 13.409) 21.444 3.502 ( 3.117 0.072 2.131) 3.776 4.386 ( 3.141 0.656 -1.379) 3.492 4.527 ( 1.156 1.217 2.783) 3.250 4.849 ( -0.194 -4.955 -1.165) 5.094 5.215 ( 2.733 2.041 0.293) 3.423 5.650 ( 0.554 5.747 2.235) 6.191 8.356 ( -1.264 0.284 0.257) 1.320 8.400 ( 0.016 -3.037 0.319) 3.054 8.614 ( 2.219 0.350 -0.417) 2.285 9.312 ( 0.089 2.421 -0.256) 2.436 10.020 ( 3.487 3.319 0.642) 4.856 10.189 ( -2.547 -0.666 -2.932) 3.941 10.233 ( 7.088 2.103 -1.360) 7.518 10.324 ( 0.232 2.307 0.834) 2.464======================= Grid point 85 (28/140) =======================q-point: ( 0.22 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.449 ( 3.090 -3.380 6.259) 7.755 0.530 ( 1.291 -6.741 3.289) 7.610 0.577 ( 6.013 -3.185 1.827) 7.045 0.782 ( 1.724 -1.021 -0.831) 2.169 0.830 ( 3.140 -3.051 0.704) 4.434 0.891 ( -0.206 -2.890 -0.869) 3.025 0.959 ( 2.220 -3.034 0.404) 3.781 1.078 ( 2.053 -1.341 -1.611) 2.934 1.117 ( -2.402 0.823 0.250) 2.552 1.204 ( 4.071 -2.129 1.518) 4.839 1.453 ( 2.674 -0.022 -3.039) 4.048 1.549 ( 1.687 -0.618 -3.753) 4.161 1.605 ( -1.390 -7.425 -3.585) 8.361 1.750 ( -2.874 -1.635 4.346) 5.460 1.824 ( 1.184 -7.402 -3.411) 8.236 1.872 ( -1.192 3.451 7.235) 8.105 2.127 ( -5.548 -4.911 -0.661) 7.439 2.308 ( -2.198 -4.315 -3.930) 6.237 2.497 ( -3.444 -0.817 -1.607) 3.887 2.603 ( 0.781 -9.706 1.208) 9.812 2.672 ( -3.390 0.173 -1.121) 3.575 2.831 ( -0.390 -4.676 5.195) 7.000 2.852 ( 0.814 0.062 -0.328) 0.879 3.138 ( -1.252 -7.569 -5.436) 9.403 3.319 ( -4.266 1.210 8.537) 9.620 3.538 ( 3.776 0.667 1.167) 4.008 4.395 ( 2.579 1.214 -1.327) 3.144 4.529 ( 2.946 2.303 2.673) 4.597 4.934 ( 0.270 -5.375 -1.160) 5.505 5.205 ( 4.199 3.373 0.286) 5.394 5.554 ( 1.271 7.444 1.743) 7.750 8.335 ( -1.856 0.328 0.273) 1.904 8.471 ( 0.353 -4.799 0.502) 4.838 8.631 ( 2.481 0.367 -0.583) 2.575 9.259 ( 0.035 3.624 -0.102) 3.626 10.018 ( 3.650 1.360 0.324) 3.909 10.106 ( -1.838 5.170 -1.162) 5.609 10.268 ( 0.945 0.961 -0.955) 1.652 10.284 ( -0.261 0.508 0.301) 0.645======================= Grid point 86 (29/140) =======================q-point: ( 0.33 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.548 ( 2.101 -3.321 1.201) 4.109 0.645 ( 1.609 -3.944 3.376) 5.435 0.681 ( 3.539 -2.969 0.712) 4.674 0.807 ( 1.109 -1.336 -1.418) 2.242 0.860 ( 0.522 0.020 -1.093) 1.211 0.938 ( -0.535 -2.503 -2.066) 3.289 1.013 ( 0.840 1.379 2.557) 3.025 1.104 ( 2.048 -1.665 0.980) 2.816 1.122 ( 2.301 -1.580 -0.945) 2.947 1.294 ( 4.171 -2.015 0.552) 4.664 1.475 ( 1.925 -1.046 -1.459) 2.632 1.549 ( 0.007 0.456 -3.109) 3.142 1.649 ( -4.434 -2.115 -1.026) 5.018 1.742 ( -0.835 0.499 3.944) 4.062 1.797 ( -1.647 4.492 7.554) 8.942 1.957 ( 2.993 -4.098 0.253) 5.081 2.215 ( -2.364 -7.150 -4.069) 8.560 2.361 ( -2.673 -6.159 -4.792) 8.249 2.438 ( -4.825 -1.609 -0.888) 5.164 2.636 ( 0.126 -1.142 -1.139) 1.617 2.811 ( 0.088 -1.892 -0.148) 1.900 2.848 ( 0.160 -7.925 -0.230) 7.930 2.906 ( 0.653 -0.712 3.819) 3.939 3.257 ( -0.887 -8.296 -2.494) 8.708 3.309 ( -1.786 -0.396 6.421) 6.676 3.558 ( 2.891 1.296 0.277) 3.180 4.386 ( 2.327 1.957 -2.537) 3.960 4.526 ( 1.888 1.924 3.202) 4.186 5.019 ( -0.194 -4.851 -1.010) 4.959 5.187 ( 4.442 3.969 0.353) 5.968 5.446 ( 1.174 6.994 0.823) 7.139 8.314 ( -1.465 0.297 0.186) 1.507 8.560 ( 0.109 -4.861 0.108) 4.864 8.644 ( 1.873 0.417 -0.462) 1.974 9.200 ( -0.022 3.102 -0.009) 3.102 9.992 ( -0.704 5.747 -0.773) 5.841 10.049 ( 4.930 0.591 1.037) 5.073 10.216 ( -3.876 1.039 -0.951) 4.124 10.304 ( 0.608 -0.714 -0.322) 0.992======================= Grid point 87 (30/140) =======================q-point: ( 0.44 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.600 ( 0.665 -1.376 -1.676) 2.268 0.711 ( 1.124 -0.639 1.719) 2.151 0.754 ( 2.295 -2.656 0.336) 3.526 0.817 ( -1.067 1.867 0.287) 2.170 0.860 ( 0.440 -1.037 -0.238) 1.151 0.954 ( -0.558 -1.293 -2.157) 2.576 0.992 ( 1.395 2.192 1.979) 3.266 1.162 ( 0.316 -1.159 -0.265) 1.231 1.164 ( 0.755 -2.060 1.503) 2.659 1.348 ( 3.994 0.247 -0.452) 4.027 1.511 ( 0.258 -1.428 -0.930) 1.724 1.520 ( -2.195 -0.238 -2.408) 3.267 1.609 ( -3.592 0.800 -0.919) 3.794 1.719 ( -1.814 0.963 2.962) 3.605 1.772 ( 2.048 2.567 8.577) 9.184 2.016 ( -0.015 0.093 -1.257) 1.260 2.240 ( 1.770 -1.521 -2.186) 3.198 2.418 ( -2.692 -4.788 -1.829) 5.789 2.493 ( -1.014 -4.944 0.456) 5.068 2.665 ( 1.551 -1.889 -4.144) 4.811 2.786 ( -1.917 0.848 0.382) 2.131 2.903 ( 1.358 2.841 1.180) 3.363 2.985 ( 0.504 -4.362 0.009) 4.391 3.305 ( -1.786 -0.434 5.448) 5.749 3.376 ( -1.002 -5.063 0.115) 5.163 3.555 ( 1.271 1.271 -0.397) 1.841 4.360 ( 1.945 2.296 -3.956) 4.971 4.527 ( -0.067 0.290 3.569) 3.581 5.083 ( -1.082 -3.799 -0.748) 4.021 5.163 ( 3.399 3.662 0.468) 5.018 5.364 ( 0.173 3.210 -0.067) 3.216 8.300 ( -0.358 0.253 0.109) 0.452 8.607 ( -2.384 -1.824 -2.132) 3.682 8.664 ( 2.812 -0.110 1.348) 3.120 9.162 ( -0.000 1.228 0.013) 1.229 9.911 ( -0.171 2.629 -0.175) 2.640 10.094 ( 3.107 -0.015 1.046) 3.279 10.166 ( -1.623 0.616 -0.584) 1.832 10.311 ( -0.975 -0.535 -0.940) 1.456======================= Grid point 88 (31/140) =======================q-point: (-0.44 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.595 ( -0.579 1.683 -2.986) 3.476 0.693 ( -0.809 3.222 1.119) 3.506 0.743 ( -2.757 3.540 2.138) 4.970 0.826 ( 2.642 -2.613 -0.080) 3.717 0.886 ( -0.013 -1.192 -0.200) 1.209 0.963 ( 0.539 1.267 -1.767) 2.240 0.968 ( -0.238 0.949 1.419) 1.723 1.148 ( -3.377 0.927 0.733) 3.578 1.191 ( -1.144 -0.856 0.980) 1.732 1.355 ( 0.381 1.951 0.176) 1.995 1.485 ( -0.955 0.614 -2.700) 2.929 1.528 ( -3.123 -2.022 -2.903) 4.719 1.583 ( 0.734 -0.489 0.572) 1.051 1.730 ( 0.692 -1.177 4.254) 4.468 1.773 ( 2.755 3.436 6.527) 7.874 1.966 ( -2.776 1.056 -2.736) 4.038 2.327 ( 6.522 -2.419 -1.337) 7.084 2.426 ( -0.804 2.524 2.447) 3.606 2.536 ( -0.597 -1.552 0.623) 1.776 2.681 ( 1.419 0.457 -6.535) 6.703 2.766 ( -2.062 -0.773 1.477) 2.652 2.855 ( 2.541 4.862 -0.344) 5.496 2.986 ( -0.194 4.389 -0.027) 4.394 3.314 ( -1.989 -0.720 6.203) 6.553 3.405 ( -1.103 0.588 1.367) 1.852 3.541 ( -0.803 0.465 -1.044) 1.397 4.329 ( 1.526 1.468 -4.498) 4.972 4.538 ( -2.085 -1.370 3.288) 4.127 5.111 ( 1.388 1.744 0.038) 2.229 5.142 ( -1.541 -1.244 -0.059) 1.981 5.351 ( -1.461 -2.571 -0.504) 3.000 8.300 ( 1.048 0.240 0.122) 1.082 8.579 ( -2.524 0.923 -2.126) 3.427 8.684 ( 1.210 1.007 1.056) 1.896 9.162 ( 0.100 -1.138 0.004) 1.142 9.908 ( -0.442 -2.602 -0.264) 2.653 10.089 ( -2.708 0.007 0.757) 2.812 10.186 ( 4.822 -0.008 0.439) 4.842 10.297 ( -1.949 -0.082 -1.634) 2.545======================= Grid point 89 (32/140) =======================q-point: (-0.33 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( -3.500 6.004 -0.829) 6.999 0.612 ( -2.291 4.921 0.767) 5.482 0.682 ( -1.516 2.538 3.269) 4.407 0.866 ( -2.833 3.171 0.116) 4.254 0.890 ( -1.171 -1.042 -0.989) 1.854 0.900 ( -0.274 0.576 -1.916) 2.020 0.970 ( 0.624 1.196 0.694) 1.517 1.089 ( -2.250 1.853 -0.125) 2.918 1.181 ( -1.716 0.651 1.132) 2.156 1.295 ( -2.971 3.419 1.389) 4.738 1.454 ( -2.034 0.270 -3.349) 3.927 1.526 ( -0.101 -1.136 -2.497) 2.745 1.623 ( 0.815 -2.099 -0.763) 2.378 1.733 ( 2.117 3.789 5.142) 6.729 1.802 ( 1.649 -1.746 3.540) 4.277 1.943 ( -1.505 -1.122 -0.161) 1.884 2.272 ( 1.842 11.422 -1.841) 11.716 2.445 ( 5.087 0.514 -1.389) 5.298 2.561 ( 0.796 -1.044 3.516) 3.753 2.639 ( 0.076 2.724 -4.285) 5.078 2.750 ( 0.660 2.546 -1.353) 2.958 2.825 ( 2.037 1.575 1.589) 3.026 2.852 ( -0.251 9.609 -0.422) 9.621 3.331 ( -1.138 -0.004 4.221) 4.372 3.371 ( -2.358 1.009 6.658) 7.134 3.512 ( -2.399 0.570 -1.625) 2.953 4.315 ( 1.652 0.373 -4.010) 4.352 4.552 ( -3.903 -2.579 2.837) 5.471 5.059 ( 1.473 5.211 0.303) 5.423 5.167 ( -3.711 -3.991 -0.381) 5.463 5.410 ( -2.344 -6.323 -0.242) 6.748 8.313 ( 2.305 0.274 0.239) 2.333 8.518 ( -1.416 3.126 -1.243) 3.650 8.666 ( -1.372 0.973 0.191) 1.692 9.200 ( 0.206 -3.012 -0.020) 3.020 9.960 ( -2.625 -4.184 -1.182) 5.078 10.088 ( 0.055 -1.876 2.009) 2.749 10.230 ( 1.660 -0.701 -0.992) 2.057 10.270 ( -0.327 0.883 -1.350) 1.646======================= Grid point 90 (33/140) =======================q-point: (-0.22 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.360 ( -4.032 5.612 4.741) 8.380 0.480 ( -5.416 6.619 0.983) 8.609 0.627 ( -0.567 4.607 3.277) 5.682 0.699 ( -9.862 6.919 -1.011) 12.090 0.869 ( -2.048 1.269 -0.359) 2.436 0.885 ( -0.649 1.952 1.326) 2.448 0.964 ( 2.485 0.744 -1.624) 3.061 1.050 ( -0.413 1.879 -1.885) 2.693 1.147 ( -1.444 1.951 0.802) 2.557 1.223 ( -2.569 1.183 2.391) 3.704 1.414 ( -0.508 1.425 -4.430) 4.681 1.533 ( 1.983 1.399 -2.576) 3.539 1.643 ( -2.387 -2.477 -1.319) 3.684 1.739 ( 4.560 1.414 3.058) 5.670 1.801 ( -1.174 5.706 1.625) 6.048 1.947 ( -2.118 -0.443 1.124) 2.438 2.129 ( 5.275 5.410 0.556) 7.577 2.412 ( -1.046 2.831 -5.625) 6.384 2.552 ( -0.093 8.204 -1.197) 8.291 2.572 ( 0.901 4.803 1.828) 5.218 2.704 ( 3.902 1.516 0.188) 4.190 2.744 ( 4.553 3.942 0.972) 6.100 2.840 ( -0.163 -0.544 -0.008) 0.568 3.286 ( -1.841 2.759 0.067) 3.317 3.434 ( -2.931 -6.015 14.039) 15.552 3.474 ( -2.229 -0.272 0.346) 2.272 4.325 ( 2.272 -0.558 -2.535) 3.450 4.566 ( -5.385 -3.642 2.888) 7.114 4.981 ( 0.566 5.020 0.061) 5.053 5.192 ( -3.359 -3.245 -0.356) 4.684 5.500 ( -1.874 -6.405 0.762) 6.717 8.336 ( 2.918 0.329 0.424) 2.967 8.447 ( -0.409 3.706 -0.382) 3.748 8.634 ( -2.886 0.063 -0.382) 2.912 9.260 ( 0.215 -3.573 -0.058) 3.580 9.967 ( -4.594 -1.872 -1.456) 5.170 10.159 ( 2.011 -2.290 0.800) 3.151 10.219 ( -2.669 -1.627 -2.617) 4.077 10.274 ( 2.473 0.670 -0.083) 2.563======================= Grid point 91 (34/140) =======================q-point: (-0.11 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.271 ( -3.754 4.645 8.626) 10.492 0.295 ( -5.996 8.625 4.306) 11.352 0.443 ( -9.313 9.656 5.022) 14.324 0.557 ( 0.389 5.183 4.785) 7.065 0.826 ( 0.521 1.680 -0.270) 1.780 0.864 ( -2.210 -0.636 -0.857) 2.454 0.942 ( -0.976 2.539 -2.691) 3.827 1.007 ( 0.247 1.428 -0.232) 1.468 1.107 ( -1.006 1.128 0.834) 1.726 1.220 ( -0.678 -0.885 0.678) 1.305 1.357 ( 4.134 6.814 -5.411) 9.634 1.495 ( 0.106 2.409 -3.628) 4.357 1.610 ( -0.392 7.575 -3.670) 8.426 1.666 ( -2.724 1.865 -4.302) 5.423 1.775 ( 3.436 0.200 3.305) 4.771 1.922 ( -2.229 0.426 1.472) 2.705 2.218 ( 3.780 -7.664 5.153) 9.978 2.337 ( -2.297 2.144 -3.544) 4.736 2.381 ( -1.392 7.418 1.219) 7.645 2.519 ( 1.397 3.005 -0.680) 3.383 2.707 ( 4.504 6.874 0.533) 8.235 2.758 ( 3.553 -0.417 -1.342) 3.821 2.845 ( -1.050 -1.272 -0.233) 1.666 3.212 ( -4.203 1.836 -3.796) 5.954 3.445 ( -0.397 0.253 1.977) 2.032 3.678 ( -4.208 -18.913 15.861) 25.040 4.360 ( 1.609 -1.647 -0.694) 2.405 4.597 ( -8.378 -7.342 3.368) 11.638 4.903 ( -1.488 4.095 -2.389) 4.968 5.207 ( -1.958 -1.781 -0.265) 2.660 5.595 ( 1.717 -5.014 4.147) 6.729 8.358 ( 1.932 0.249 0.403) 1.989 8.392 ( 0.200 2.396 0.195) 2.412 8.609 ( -2.053 -0.304 -0.396) 2.112 9.314 ( -0.009 -2.528 -0.099) 2.530 9.936 ( -3.276 -0.287 -0.582) 3.339 10.132 ( 1.230 4.411 -3.142) 5.553 10.270 ( -2.214 -2.925 -1.183) 3.854 10.284 ( 2.932 -0.517 1.517) 3.342======================= Grid point 93 (35/140) =======================q-point: ( 0.11 0.11 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.212 ( 4.491 0.000 1.713) 4.807 0.438 ( 3.436 0.000 12.725) 13.181 0.600 ( 2.969 0.000 4.321) 5.243 0.641 ( 16.686 0.000 8.648) 18.794 0.766 ( -1.758 -0.000 -1.366) 2.226 0.850 ( -0.261 -0.000 -5.182) 5.188 0.908 ( 4.563 0.000 -0.886) 4.648 1.058 ( 2.463 0.000 -2.334) 3.394 1.121 ( 0.031 0.000 0.421) 0.423 1.176 ( -3.896 -0.000 0.085) 3.897 1.220 ( 2.080 0.000 0.987) 2.302 1.488 ( -0.419 -0.000 -4.267) 4.288 1.501 ( 3.354 0.000 -4.442) 5.566 1.540 ( 4.478 0.000 -4.808) 6.570 1.783 ( -4.849 -0.000 4.956) 6.934 1.949 ( 1.227 0.000 1.570) 1.993 2.184 ( -6.921 -0.000 0.013) 6.921 2.213 ( -13.952 -0.000 6.637) 15.450 2.331 ( 2.287 0.000 1.170) 2.569 2.519 ( -0.451 -0.000 0.756) 0.880 2.592 ( 3.511 0.000 7.860) 8.608 2.769 ( -3.265 -0.000 0.486) 3.300 2.872 ( 1.902 0.000 -0.075) 1.903 2.993 ( -1.486 -0.000 -9.425) 9.541 3.355 ( -9.536 -0.000 11.453) 14.903 3.550 ( 4.802 0.000 1.652) 5.079 4.418 ( 1.973 0.000 0.150) 1.978 4.588 ( 6.254 0.000 2.018) 6.572 4.814 ( 1.945 0.000 0.204) 1.955 5.273 ( 4.819 0.000 0.464) 4.841 5.706 ( 0.242 0.000 1.098) 1.124 8.353 ( -0.889 -0.000 0.399) 0.975 8.371 ( 0.010 0.000 -0.012) 0.015 8.640 ( 2.513 0.000 -0.397) 2.544 9.335 ( 0.197 0.000 -0.082) 0.214 10.062 ( -0.006 -0.000 -0.008) 0.010 10.142 ( -2.320 -0.000 -3.693) 4.361 10.293 ( 1.147 0.000 -1.890) 2.211 10.375 ( 2.711 0.000 -1.330) 3.020======================= Grid point 94 (36/140) =======================q-point: ( 0.22 0.11 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( 3.059 -9.942 0.236) 10.405 0.513 ( 3.158 -0.374 10.592) 11.059 0.629 ( 4.445 0.693 2.288) 5.047 0.773 ( 0.658 -1.435 -0.403) 1.629 0.841 ( 4.300 -2.495 -1.488) 5.189 0.848 ( 5.918 -0.795 0.509) 5.993 0.964 ( 5.188 -1.647 0.447) 5.461 1.073 ( 1.930 -0.745 -2.037) 2.904 1.098 ( -0.833 -0.404 0.615) 1.111 1.244 ( 4.007 0.760 2.231) 4.649 1.305 ( -5.104 -12.980 -2.010) 14.092 1.519 ( 2.265 -0.788 -4.734) 5.307 1.568 ( 4.300 -1.027 -3.468) 5.619 1.592 ( 1.987 -10.605 -5.268) 12.007 1.759 ( -2.190 0.004 4.731) 5.213 1.951 ( 0.224 2.338 3.842) 4.503 2.043 ( -8.085 2.094 1.277) 8.449 2.182 ( -7.864 -3.977 -0.220) 8.816 2.426 ( 2.540 -6.234 0.375) 6.742 2.508 ( -1.292 -0.231 -0.192) 1.327 2.634 ( -3.787 0.379 1.932) 4.268 2.783 ( 1.130 -4.954 4.901) 7.060 2.871 ( 0.741 1.466 -0.242) 1.660 3.009 ( 1.030 -4.450 -7.149) 8.484 3.319 ( -4.136 0.436 8.488) 9.452 3.598 ( 4.918 0.721 0.847) 5.042 4.429 ( 1.536 0.671 0.398) 1.722 4.635 ( 6.241 2.987 2.224) 7.268 4.869 ( 2.138 -3.336 -0.085) 3.963 5.310 ( 6.236 2.420 0.486) 6.707 5.676 ( 1.242 4.583 0.762) 4.809 8.338 ( -0.331 0.895 0.303) 1.001 8.400 ( -0.101 -3.231 0.017) 3.232 8.658 ( 1.828 0.286 -0.326) 1.879 9.314 ( 0.099 2.540 0.056) 2.543 10.059 ( 1.502 0.398 -0.202) 1.567 10.113 ( -1.963 0.247 -2.262) 3.005 10.275 ( -2.786 0.305 -0.950) 2.959 10.351 ( 2.556 4.428 -0.784) 5.173======================= Grid point 95 (37/140) =======================q-point: ( 0.33 0.11 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.538 ( 3.261 -3.617 1.469) 5.087 0.598 ( 2.246 -4.074 5.099) 6.903 0.679 ( 3.280 -1.643 0.419) 3.692 0.807 ( 2.420 -0.734 0.146) 2.533 0.858 ( 0.757 -0.885 -1.981) 2.297 0.914 ( 2.835 0.105 -1.491) 3.205 1.052 ( 3.216 -0.771 2.557) 4.180 1.084 ( 0.255 -1.276 -2.101) 2.471 1.130 ( 2.330 -1.061 0.981) 2.741 1.301 ( 3.832 -1.651 1.652) 4.488 1.428 ( -2.984 -6.234 -0.481) 6.928 1.534 ( -2.472 -2.157 -2.191) 3.945 1.589 ( 4.452 0.807 -3.162) 5.520 1.761 ( 1.344 0.722 1.886) 2.426 1.845 ( 1.762 -12.709 -1.794) 12.955 1.874 ( -2.759 2.685 5.192) 6.463 2.039 ( -2.521 -6.022 0.344) 6.537 2.182 ( -7.365 -6.141 -3.080) 10.072 2.407 ( -3.155 2.976 -1.874) 4.725 2.601 ( -1.363 -1.723 -0.413) 2.235 2.657 ( 2.042 -11.048 0.063) 11.235 2.823 ( -2.325 0.556 -1.323) 2.732 2.928 ( 4.296 -2.095 7.784) 9.134 3.093 ( 0.081 -7.761 -6.028) 9.827 3.308 ( -2.620 0.001 6.898) 7.378 3.623 ( 4.087 1.946 0.105) 4.528 4.428 ( 1.484 1.315 -0.743) 2.118 4.630 ( 4.565 4.649 2.402) 6.944 4.949 ( 1.305 -3.763 -0.198) 3.988 5.317 ( 6.510 4.447 0.448) 7.896 5.588 ( 1.449 7.420 0.180) 7.562 8.323 ( 0.624 1.056 0.217) 1.246 8.467 ( -0.648 -4.856 -0.515) 4.926 8.665 ( 0.862 0.248 0.073) 0.900 9.259 ( -0.100 3.698 0.045) 3.700 10.061 ( 1.028 3.216 -1.491) 3.690 10.090 ( 0.604 -0.571 0.744) 1.115 10.221 ( -2.822 1.844 -0.087) 3.372 10.305 ( 0.797 2.204 -1.360) 2.709======================= Grid point 96 (38/140) =======================q-point: ( 0.44 0.11 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( 2.312 -0.583 0.072) 2.386 0.695 ( 0.922 -3.177 2.311) 4.035 0.750 ( 3.731 -2.167 -0.520) 4.346 0.845 ( 2.959 0.334 0.189) 2.984 0.859 ( -0.039 0.691 0.144) 0.707 0.926 ( 0.737 -0.910 -1.877) 2.213 1.063 ( 2.306 2.322 1.424) 3.568 1.116 ( -0.807 -2.368 -0.201) 2.510 1.159 ( -0.516 -0.511 0.741) 1.037 1.360 ( 1.140 -1.490 0.331) 1.905 1.462 ( -1.713 -1.534 -0.071) 2.301 1.528 ( -1.086 0.035 -0.907) 1.415 1.606 ( 3.335 1.090 -2.288) 4.189 1.730 ( -1.983 1.325 2.677) 3.585 1.844 ( 0.817 1.439 6.851) 7.048 1.998 ( -0.981 -1.475 -0.611) 1.874 2.168 ( 0.406 -9.555 -2.088) 9.789 2.243 ( -4.986 -9.564 -3.894) 11.467 2.379 ( -0.529 -4.125 0.341) 4.173 2.619 ( -0.644 -2.440 -2.613) 3.633 2.780 ( -2.421 0.988 -0.298) 2.631 2.867 ( 1.365 -9.898 0.065) 9.992 2.982 ( 3.683 2.224 3.149) 5.332 3.225 ( -0.559 -8.551 -2.593) 8.953 3.312 ( -2.334 -0.987 6.676) 7.141 3.614 ( 2.684 2.998 -0.438) 4.048 4.407 ( 1.484 2.200 -2.700) 3.786 4.593 ( 2.396 4.538 2.938) 5.913 5.013 ( -0.014 -3.175 -0.234) 3.184 5.293 ( 5.580 5.662 0.481) 7.964 5.468 ( 0.857 7.741 -0.412) 7.799 8.320 ( 1.957 0.924 0.116) 2.167 8.530 ( -1.684 -3.786 -1.396) 4.372 8.674 ( 0.100 -0.728 0.665) 0.991 9.199 ( -0.115 3.042 0.018) 3.045 9.985 ( 0.487 5.533 -0.363) 5.566 10.094 ( -2.126 0.103 0.510) 2.188 10.204 ( 3.681 0.511 1.088) 3.873 10.276 ( -2.217 -0.081 -2.302) 3.197======================= Grid point 97 (39/140) =======================q-point: (-0.44 0.11 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( 1.255 0.896 -2.005) 2.530 0.724 ( -0.228 0.962 0.324) 1.041 0.795 ( -1.064 3.057 1.402) 3.528 0.824 ( 3.598 -1.483 -0.270) 3.901 0.884 ( 1.761 -0.194 0.444) 1.827 0.954 ( 1.685 -1.332 -0.989) 2.365 1.026 ( -0.802 3.928 0.834) 4.095 1.133 ( -2.017 -0.674 0.520) 2.190 1.153 ( -1.609 -0.835 0.180) 1.822 1.368 ( -2.149 0.108 0.779) 2.289 1.461 ( -2.114 -0.990 -0.342) 2.359 1.498 ( -0.325 2.405 -1.633) 2.925 1.616 ( 3.972 0.818 -0.763) 4.127 1.733 ( 0.520 -0.774 3.926) 4.035 1.853 ( 0.846 1.327 6.559) 6.745 1.942 ( -4.528 1.542 -2.707) 5.496 2.328 ( 4.397 -4.186 -3.781) 7.152 2.337 ( -2.192 -9.589 1.639) 9.972 2.484 ( 0.273 -4.807 -0.186) 4.818 2.649 ( -0.161 -2.816 -4.276) 5.123 2.742 ( -2.798 0.448 1.224) 3.087 2.959 ( 2.855 3.446 0.014) 4.475 2.998 ( 0.894 -2.696 -0.070) 2.841 3.289 ( -2.633 -1.672 3.393) 4.609 3.369 ( -0.493 -4.114 2.698) 4.945 3.577 ( 1.126 3.320 -0.659) 3.568 4.369 ( 1.612 2.622 -4.223) 5.226 4.552 ( 0.048 2.935 3.470) 4.545 5.054 ( -1.222 -2.535 -0.260) 2.826 5.246 ( 4.163 5.706 0.511) 7.082 5.358 ( -0.537 4.726 -0.736) 4.813 8.332 ( 3.290 0.798 0.067) 3.386 8.546 ( -1.960 -1.085 -1.150) 2.519 8.689 ( -1.319 -0.942 0.214) 1.635 9.162 ( -0.012 1.106 0.007) 1.107 9.910 ( 0.185 2.981 -0.040) 2.987 10.071 ( -1.794 0.243 1.263) 2.208 10.234 ( 0.771 0.897 -1.693) 2.065 10.262 ( 0.623 -1.403 -0.085) 1.537======================= Grid point 98 (40/140) =======================q-point: (-0.33 0.11 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.562 ( -0.614 4.601 -2.066) 5.081 0.666 ( -1.887 4.211 0.297) 4.624 0.743 ( 0.108 2.676 3.527) 4.429 0.873 ( -0.112 0.373 -1.389) 1.442 0.903 ( 1.487 1.567 1.330) 2.537 0.913 ( -1.860 3.348 -2.645) 4.655 0.994 ( 2.072 -0.432 0.261) 2.133 1.110 ( -0.163 1.631 0.227) 1.655 1.153 ( -2.737 -1.178 0.188) 2.986 1.325 ( -3.370 2.190 1.826) 4.415 1.430 ( -1.606 2.319 -2.350) 3.672 1.479 ( -0.628 -2.449 0.488) 2.575 1.642 ( 3.005 0.840 -1.029) 3.286 1.762 ( -0.998 -0.454 5.278) 5.390 1.854 ( 1.953 1.802 4.191) 4.962 1.897 ( -2.426 -1.563 -1.426) 3.219 2.375 ( 1.256 -0.163 -3.232) 3.471 2.488 ( -2.694 -2.896 -2.986) 4.955 2.515 ( 5.498 -2.110 3.413) 6.807 2.662 ( 0.739 0.787 -3.906) 4.053 2.724 ( -2.939 -1.633 0.664) 3.427 2.918 ( 3.218 4.278 -0.389) 5.367 2.984 ( 0.030 4.939 -0.155) 4.942 3.302 ( -3.002 -1.790 5.511) 6.526 3.400 ( -0.539 1.023 2.083) 2.382 3.526 ( -0.183 2.889 -0.648) 2.966 4.334 ( 1.772 1.499 -4.345) 4.926 4.521 ( -1.781 1.078 3.363) 3.955 5.079 ( -1.711 -2.594 -0.475) 3.144 5.178 ( 2.081 6.358 -0.290) 6.696 5.320 ( -1.159 -1.725 0.281) 2.097 8.356 ( 3.952 0.800 0.053) 4.033 8.530 ( -1.312 0.556 -0.217) 1.441 8.667 ( -2.697 1.075 -0.495) 2.945 9.164 ( 0.080 -1.260 -0.024) 1.263 9.895 ( -0.465 -1.096 -0.098) 1.194 10.066 ( -0.854 -0.890 1.461) 1.912 10.208 ( -1.865 -0.063 -2.533) 3.147 10.298 ( 2.681 0.094 0.544) 2.737======================= Grid point 99 (41/140) =======================q-point: (-0.22 0.11 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.451 ( -1.048 6.562 2.074) 6.961 0.558 ( -2.364 6.618 1.982) 7.301 0.721 ( 0.834 2.447 3.009) 3.967 0.727 ( -4.679 7.426 -1.699) 8.940 0.865 ( -0.313 1.261 -1.546) 2.020 0.931 ( 0.776 1.607 1.298) 2.207 1.006 ( 2.486 1.287 -1.573) 3.211 1.083 ( 1.058 2.246 -2.358) 3.424 1.144 ( -2.562 -1.249 1.266) 3.119 1.245 ( -3.083 3.802 2.200) 5.367 1.386 ( -0.516 0.072 -3.097) 3.141 1.543 ( 2.132 -3.311 1.489) 4.210 1.619 ( -0.703 2.242 -1.740) 2.924 1.778 ( -0.767 -0.651 5.242) 5.337 1.864 ( 2.169 1.948 2.423) 3.791 1.904 ( -2.941 -1.794 0.183) 3.450 2.313 ( 3.246 8.823 -2.168) 9.648 2.423 ( -2.694 2.295 -4.442) 5.679 2.609 ( -0.645 1.292 -2.914) 3.252 2.650 ( 2.903 -1.313 2.946) 4.339 2.735 ( 0.131 -1.678 -2.033) 2.639 2.836 ( -0.471 9.151 -0.241) 9.166 2.900 ( 2.929 3.537 0.774) 4.657 3.323 ( -1.506 0.213 1.847) 2.393 3.354 ( -4.331 0.780 6.685) 8.003 3.479 ( -0.174 1.895 0.179) 1.911 4.329 ( 2.117 -0.172 -3.509) 4.102 4.504 ( -2.677 -0.411 3.065) 4.091 5.073 ( -0.189 5.419 -1.762) 5.702 5.115 ( -1.090 -2.353 -0.109) 2.596 5.385 ( -0.256 -5.973 1.789) 6.241 8.377 ( 2.665 0.868 -0.066) 2.803 8.501 ( 0.005 2.356 0.600) 2.431 8.613 ( -2.392 1.273 -0.596) 2.775 9.203 ( 0.071 -3.078 -0.117) 3.081 9.914 ( -0.846 -1.355 0.225) 1.613 10.100 ( -1.706 -4.345 -0.476) 4.692 10.194 ( 1.047 0.406 -0.499) 1.229 10.310 ( 1.188 0.825 -0.089) 1.449======================= Grid point 100 (42/140) =======================q-point: (-0.11 0.11 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.362 ( 0.094 4.758 7.846) 9.177 0.425 ( 1.268 8.386 5.254) 9.976 0.558 ( -2.380 7.652 -1.853) 8.225 0.694 ( 2.947 5.228 5.085) 7.865 0.829 ( -0.882 1.450 -1.823) 2.491 0.889 ( -0.508 2.658 1.716) 3.204 0.976 ( -0.251 3.276 -3.851) 5.062 1.046 ( 1.618 1.961 -0.975) 2.723 1.143 ( 0.769 2.568 1.341) 2.997 1.182 ( -3.317 -1.141 0.575) 3.555 1.399 ( 3.337 -0.937 -4.154) 5.410 1.563 ( 0.175 2.850 -2.675) 3.913 1.606 ( 1.414 0.135 -1.196) 1.857 1.777 ( -1.882 3.644 2.559) 4.834 1.822 ( 1.625 4.066 0.913) 4.473 1.890 ( -4.157 -1.042 1.959) 4.712 2.204 ( 0.198 3.572 0.215) 3.584 2.342 ( -0.871 2.955 -4.465) 5.425 2.540 ( -0.621 6.668 -0.586) 6.723 2.588 ( -0.039 7.681 1.370) 7.802 2.747 ( -2.263 -2.160 -2.555) 4.039 2.796 ( 4.053 -1.379 0.042) 4.281 2.856 ( -0.474 5.053 0.607) 5.111 3.220 ( -3.072 5.431 -4.431) 7.653 3.395 ( -9.742 -6.688 12.485) 17.191 3.471 ( 1.512 0.200 1.698) 2.282 4.353 ( 2.407 -0.873 -2.525) 3.596 4.503 ( -2.238 -1.333 2.991) 3.966 4.961 ( -1.471 5.706 -2.341) 6.341 5.158 ( 0.334 -2.843 -0.189) 2.868 5.513 ( 1.164 -7.303 3.144) 8.036 8.372 ( -0.671 0.676 -0.210) 0.975 8.454 ( 0.676 3.765 0.906) 3.931 8.593 ( 0.530 -0.212 -0.394) 0.693 9.260 ( 0.005 -3.561 -0.244) 3.569 9.936 ( 2.405 -1.033 1.499) 3.016 10.156 ( -2.028 -4.743 -1.992) 5.530 10.211 ( 2.905 0.715 0.294) 3.006 10.301 ( 0.123 0.244 0.030) 0.275======================= Grid point 103 (43/140) =======================q-point: ( 0.22 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.302 ( 4.542 0.000 -0.385) 4.558 0.580 ( 3.496 0.000 9.198) 9.840 0.663 ( 0.593 0.000 0.840) 1.028 0.770 ( 2.597 0.000 1.900) 3.218 0.830 ( 2.160 0.000 -3.773) 4.347 0.984 ( 11.759 0.000 2.095) 11.945 0.992 ( 3.783 0.000 -0.361) 3.800 1.070 ( 0.428 0.000 -2.776) 2.809 1.099 ( -3.503 -0.000 0.090) 3.504 1.114 ( 0.182 0.000 0.568) 0.596 1.305 ( 3.900 0.000 2.733) 4.762 1.455 ( -0.272 -0.000 -2.974) 2.986 1.533 ( 1.187 0.000 -3.657) 3.844 1.613 ( 5.664 0.000 -3.543) 6.681 1.778 ( 3.276 0.000 3.107) 4.515 1.966 ( -1.157 -0.000 0.251) 1.184 2.022 ( -8.807 -0.000 1.710) 8.972 2.029 ( -8.657 -0.000 1.040) 8.719 2.403 ( 4.074 0.000 0.504) 4.105 2.503 ( -1.487 -0.000 0.026) 1.488 2.647 ( -0.973 -0.000 1.317) 1.637 2.707 ( -2.759 -0.000 1.059) 2.955 2.891 ( -0.085 -0.000 -0.637) 0.642 2.984 ( 4.479 0.000 -2.578) 5.168 3.311 ( -3.425 -0.000 7.760) 8.482 3.658 ( 5.140 0.000 0.267) 5.147 4.451 ( 1.250 0.000 0.450) 1.329 4.735 ( 5.729 0.000 2.571) 6.280 4.866 ( 2.968 0.000 0.139) 2.971 5.402 ( 7.460 0.000 0.505) 7.477 5.730 ( 1.480 0.000 -0.002) 1.480 8.350 ( 0.685 0.000 -0.055) 0.688 8.371 ( 0.006 0.000 -0.013) 0.015 8.671 ( 0.457 0.000 -0.121) 0.473 9.338 ( -0.089 -0.000 0.123) 0.151 10.062 ( 0.002 0.000 -0.000) 0.002 10.108 ( 1.503 0.000 -1.678) 2.253 10.236 ( -4.410 -0.000 -1.561) 4.678 10.403 ( 0.724 0.000 -1.078) 1.299======================= Grid point 104 (44/140) =======================q-point: ( 0.33 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.448 ( 3.635 -9.015 -0.362) 9.727 0.629 ( 2.349 0.967 5.504) 6.062 0.682 ( 1.737 -1.509 1.112) 2.555 0.821 ( 2.731 -1.081 1.726) 3.407 0.854 ( 3.077 -0.634 -1.891) 3.667 0.977 ( 2.386 3.629 -0.584) 4.383 1.048 ( 1.652 -2.834 0.755) 3.366 1.059 ( -0.528 -0.628 -2.705) 2.826 1.132 ( -0.472 -1.013 0.020) 1.118 1.241 ( 1.490 -9.966 0.613) 10.095 1.336 ( 3.035 0.443 2.179) 3.763 1.508 ( -0.279 -1.007 -0.240) 1.072 1.581 ( -0.004 -10.908 -2.803) 11.263 1.662 ( 7.233 -0.317 -2.987) 7.832 1.811 ( 1.589 2.479 -0.585) 3.002 1.893 ( -4.170 1.576 3.862) 5.898 1.968 ( -2.892 -2.221 0.046) 3.646 2.015 ( -6.622 -3.560 0.362) 7.527 2.444 ( -1.021 3.344 -0.783) 3.583 2.517 ( 2.659 -6.670 0.310) 7.187 2.585 ( -1.475 1.311 -1.317) 2.372 2.771 ( -1.696 -4.098 -1.115) 4.573 2.912 ( 0.165 -4.621 1.469) 4.851 3.032 ( 4.172 -0.158 0.039) 4.175 3.303 ( -3.036 0.029 7.042) 7.668 3.695 ( 4.395 1.392 -0.341) 4.623 4.456 ( 1.035 0.743 -0.624) 1.419 4.757 ( 4.099 3.677 2.382) 6.000 4.917 ( 2.421 -2.158 0.125) 3.245 5.455 ( 7.627 2.968 0.443) 8.196 5.705 ( 1.399 4.483 -0.503) 4.723 8.353 ( 1.891 0.804 -0.327) 2.081 8.396 ( -0.228 -2.748 -0.243) 2.768 8.668 ( -0.953 0.073 0.228) 0.982 9.313 ( -0.284 2.579 0.049) 2.595 10.073 ( -0.281 -0.974 0.161) 1.027 10.121 ( 3.634 1.437 -0.481) 3.937 10.184 ( -4.722 -0.331 -1.255) 4.897 10.370 ( 0.045 3.376 -1.134) 3.562======================= Grid point 105 (45/140) =======================q-point: ( 0.44 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( 2.518 -4.077 -0.142) 4.794 0.653 ( 0.881 -1.735 1.868) 2.698 0.750 ( 3.780 -2.283 1.274) 4.596 0.862 ( 1.313 -0.591 0.901) 1.698 0.892 ( 3.564 -0.050 -0.037) 3.565 0.938 ( 0.458 2.172 -1.288) 2.566 1.061 ( -1.092 -1.547 -2.183) 2.890 1.093 ( -2.086 -1.218 0.885) 2.572 1.144 ( 0.439 -1.104 0.433) 1.265 1.349 ( 0.281 -0.772 1.342) 1.573 1.397 ( -0.418 -5.052 0.846) 5.140 1.517 ( 1.317 -0.352 0.578) 1.481 1.675 ( 5.621 1.149 -2.038) 6.088 1.735 ( -3.228 1.856 -0.478) 3.754 1.875 ( 0.835 -15.170 -1.569) 15.274 1.896 ( 1.461 0.513 5.669) 5.877 1.973 ( -5.058 -4.960 -4.186) 8.229 2.044 ( -3.258 -5.335 1.635) 6.462 2.378 ( 1.215 1.978 -0.503) 2.376 2.564 ( -1.886 -1.420 -1.736) 2.930 2.703 ( 2.136 -10.597 -0.036) 10.811 2.770 ( -1.588 0.357 -1.461) 2.187 3.046 ( -0.507 -6.772 -7.224) 9.915 3.070 ( 3.977 -1.635 8.791) 9.787 3.298 ( -2.882 -0.305 6.716) 7.315 3.693 ( 3.068 2.971 -0.798) 4.344 4.441 ( 0.807 1.477 -2.290) 2.842 4.719 ( 2.649 5.514 2.250) 6.518 4.974 ( 1.141 -2.240 0.008) 2.514 5.454 ( 6.562 5.676 0.378) 8.684 5.609 ( 0.718 7.646 -0.842) 7.725 8.363 ( 3.283 0.929 -0.514) 3.450 8.449 ( -0.462 -3.887 -0.377) 3.933 8.653 ( -2.439 -0.328 0.329) 2.483 9.256 ( -0.209 3.622 -0.000) 3.628 10.079 ( -1.882 0.431 0.393) 1.971 10.084 ( 1.621 4.087 -0.208) 4.401 10.185 ( -0.866 -2.203 -0.330) 2.390 10.306 ( 0.583 3.258 -1.199) 3.520======================= Grid point 106 (46/140) =======================q-point: ( 0.56 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.635 ( 1.901 0.558 -1.046) 2.241 0.713 ( 0.150 -2.428 0.953) 2.613 0.827 ( 3.744 -1.746 0.068) 4.132 0.839 ( -1.801 2.694 -0.136) 3.243 0.909 ( 1.784 0.576 0.483) 1.935 0.950 ( 2.743 -1.301 -0.252) 3.046 1.053 ( -2.799 1.194 -1.036) 3.214 1.075 ( -3.282 -1.800 -0.205) 3.749 1.171 ( 2.450 0.552 1.196) 2.782 1.344 ( -2.191 0.319 0.262) 2.230 1.436 ( -1.578 -0.999 2.236) 2.914 1.535 ( 1.414 1.096 -0.013) 1.789 1.679 ( 3.692 2.358 -2.065) 4.843 1.728 ( 0.836 -1.551 1.650) 2.414 1.891 ( -3.941 -0.372 4.962) 6.348 1.908 ( -1.867 2.039 -1.759) 3.277 2.124 ( -2.820 -9.641 -1.377) 10.139 2.211 ( 1.918 -14.565 -1.605) 14.778 2.423 ( 4.013 -3.289 1.253) 5.337 2.573 ( -2.457 -2.955 -2.091) 4.375 2.736 ( -1.356 1.145 -0.545) 1.857 2.891 ( 0.907 -8.895 -0.066) 8.941 3.045 ( 1.670 1.935 -3.460) 4.301 3.215 ( -0.048 -5.923 2.964) 6.623 3.312 ( -1.898 -2.490 6.887) 7.565 3.653 ( 1.655 4.088 -0.946) 4.511 4.408 ( 0.819 2.106 -3.931) 4.534 4.648 ( 1.036 5.852 2.696) 6.526 5.013 ( 0.017 -1.726 -0.129) 1.731 5.401 ( 4.649 7.112 0.420) 8.507 5.469 ( -0.363 8.378 -1.132) 8.462 8.384 ( 4.232 0.802 -0.700) 4.364 8.503 ( -0.189 -2.496 0.339) 2.526 8.637 ( -3.847 -1.603 -0.317) 4.180 9.197 ( -0.086 2.930 -0.019) 2.931 9.992 ( -0.145 5.387 -0.239) 5.394 10.077 ( 0.385 1.332 1.657) 2.161 10.188 ( -3.198 -1.449 -2.379) 4.241 10.294 ( 2.815 0.406 0.342) 2.864======================= Grid point 107 (47/140) =======================q-point: (-0.33 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( 1.581 2.657 -1.977) 3.670 0.720 ( -0.114 2.307 0.433) 2.350 0.770 ( -2.458 1.875 1.676) 3.517 0.878 ( 1.311 -0.305 -0.915) 1.627 0.926 ( 2.258 -0.617 -1.198) 2.629 0.968 ( -2.133 4.085 -0.559) 4.642 1.006 ( 2.691 -0.775 0.411) 2.831 1.075 ( -3.707 -1.969 -0.104) 4.199 1.171 ( 2.432 2.556 -0.072) 3.529 1.306 ( -4.187 0.403 1.031) 4.331 1.451 ( 0.412 -1.198 3.334) 3.567 1.494 ( 0.753 4.389 -0.322) 4.465 1.680 ( 2.019 1.009 -1.308) 2.608 1.762 ( -0.770 -0.560 2.786) 2.944 1.840 ( -3.589 -0.672 -2.019) 4.172 1.900 ( 0.520 0.607 4.835) 4.900 2.260 ( -1.708 -9.519 -2.767) 10.059 2.406 ( 2.259 -5.966 -2.656) 6.910 2.530 ( 2.824 -3.347 1.762) 4.721 2.608 ( -0.926 -4.406 -1.415) 4.719 2.705 ( -1.323 0.883 0.437) 1.649 2.991 ( 0.878 -0.342 -1.023) 1.391 3.012 ( 0.581 0.598 -2.667) 2.794 3.263 ( -2.388 -1.476 5.211) 5.919 3.389 ( 0.058 -3.252 3.769) 4.978 3.589 ( 0.593 4.304 -0.786) 4.415 4.366 ( 1.133 2.095 -4.791) 5.351 4.570 ( -0.547 4.554 3.274) 5.635 5.035 ( -0.436 -1.431 -0.342) 1.534 5.314 ( 1.270 7.844 -1.355) 8.061 5.339 ( 0.099 4.454 0.682) 4.507 8.410 ( 3.985 0.931 -0.781) 4.166 8.519 ( -1.553 -0.270 1.058) 1.898 8.635 ( -2.092 -1.741 -0.685) 2.807 9.162 ( -0.016 1.008 -0.043) 1.009 9.914 ( 0.123 3.270 0.034) 3.272 10.052 ( -1.987 0.697 -0.447) 2.152 10.188 ( 0.655 -0.851 -0.195) 1.091 10.317 ( 1.125 -0.235 0.120) 1.155======================= Grid point 108 (48/140) =======================q-point: (-0.22 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.563 ( 1.758 5.532 -0.304) 5.812 0.657 ( 0.741 5.086 2.009) 5.518 0.727 ( -3.574 1.534 -0.050) 3.889 0.838 ( 0.405 5.511 -0.189) 5.529 0.881 ( -0.214 1.340 -1.751) 2.215 0.963 ( 1.679 0.240 -0.170) 1.704 1.042 ( 2.436 0.691 -1.000) 2.722 1.072 ( -4.034 -2.829 1.425) 5.129 1.136 ( 1.604 3.410 -2.475) 4.508 1.262 ( -3.002 0.894 1.539) 3.490 1.428 ( 2.195 3.953 -0.588) 4.559 1.521 ( 2.849 -3.021 4.816) 6.359 1.648 ( -1.162 2.392 -1.171) 2.905 1.767 ( -1.882 -0.866 4.117) 4.609 1.835 ( -3.153 -2.158 -1.098) 3.975 1.915 ( 1.665 0.731 2.834) 3.367 2.367 ( -1.104 -5.043 -4.041) 6.556 2.432 ( 1.154 2.660 -3.757) 4.746 2.569 ( -2.269 -1.019 -0.307) 2.506 2.672 ( -0.415 1.439 -0.285) 1.524 2.705 ( 3.411 -3.810 0.927) 5.197 2.955 ( 0.880 2.851 -1.621) 3.395 2.979 ( -0.532 4.751 -0.319) 4.792 3.283 ( -2.593 -1.548 6.672) 7.324 3.404 ( -0.463 2.678 1.464) 3.087 3.525 ( 0.387 3.227 -0.376) 3.271 4.340 ( 1.741 0.621 -4.400) 4.773 4.512 ( -1.355 2.379 3.403) 4.368 5.058 ( 0.113 -1.907 -0.819) 2.079 5.181 ( -0.916 6.780 -1.653) 7.039 5.325 ( 0.811 -1.534 1.683) 2.417 8.409 ( -0.280 1.447 -0.692) 1.628 8.515 ( 0.024 -0.377 0.899) 0.975 8.634 ( 0.946 1.334 -0.097) 1.638 9.164 ( -0.025 -1.301 -0.108) 1.305 9.895 ( 0.338 -0.694 0.436) 0.886 10.026 ( -2.226 -1.042 -2.001) 3.170 10.220 ( 3.090 -0.178 1.621) 3.494 10.318 ( -0.942 0.132 -0.575) 1.111======================= Grid point 109 (49/140) =======================q-point: (-0.11 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.487 ( 2.273 5.946 3.155) 7.105 0.588 ( 3.040 6.021 3.541) 7.617 0.637 ( -1.654 4.541 -0.721) 4.886 0.789 ( 2.404 2.428 -0.070) 3.418 0.854 ( 0.375 1.515 -1.353) 2.066 0.943 ( 0.078 3.164 1.878) 3.681 1.012 ( -0.933 2.564 -1.867) 3.306 1.090 ( 1.452 1.666 -1.585) 2.720 1.103 ( -1.759 -2.531 -0.225) 3.090 1.225 ( 1.173 3.101 1.277) 3.553 1.418 ( 4.077 0.485 -1.776) 4.473 1.576 ( -0.460 1.303 -2.217) 2.612 1.637 ( 3.191 -1.327 3.741) 5.093 1.770 ( -3.610 -0.620 4.961) 6.167 1.829 ( -4.190 -1.734 0.960) 4.635 1.912 ( 1.630 2.830 0.819) 3.367 2.298 ( -3.103 7.439 -3.452) 8.768 2.393 ( 2.288 3.595 -4.268) 6.031 2.545 ( -3.816 -0.629 -3.278) 5.070 2.646 ( -1.619 -0.502 0.922) 1.929 2.783 ( 2.741 1.967 -0.112) 3.376 2.840 ( 0.947 7.284 -0.268) 7.350 2.915 ( -1.882 2.713 1.270) 3.538 3.298 ( -3.175 5.507 1.551) 6.543 3.307 ( -1.865 0.434 4.357) 4.759 3.504 ( 1.967 0.672 0.804) 2.229 4.354 ( 2.687 -1.048 -3.311) 4.391 4.491 ( -0.628 0.083 3.311) 3.371 5.040 ( -0.903 5.387 -2.369) 5.954 5.123 ( 1.725 -2.205 0.220) 2.808 5.412 ( 1.122 -6.451 2.119) 6.882 8.366 ( -2.990 0.862 -0.310) 3.127 8.523 ( 1.805 2.186 1.341) 3.136 8.616 ( 1.913 1.489 -0.730) 2.532 9.201 ( -0.044 -3.080 -0.162) 3.085 9.944 ( 3.084 -2.335 1.590) 4.182 10.039 ( -2.015 -4.110 -2.384) 5.161 10.258 ( 3.226 0.298 1.442) 3.546 10.293 ( -2.407 0.321 -0.989) 2.622======================= Grid point 113 (50/140) =======================q-point: ( 0.33 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.394 ( 4.941 0.000 -0.735) 4.995 0.662 ( -0.573 -0.000 0.229) 0.618 0.698 ( 3.297 0.000 5.901) 6.760 0.843 ( 2.409 0.000 1.485) 2.830 0.882 ( 4.107 0.000 -0.851) 4.194 1.006 ( -1.859 -0.000 0.504) 1.927 1.036 ( -3.829 -0.000 0.008) 3.829 1.037 ( -0.973 -0.000 -2.382) 2.573 1.089 ( 2.490 0.000 -0.573) 2.555 1.209 ( 4.945 0.000 -0.767) 5.004 1.377 ( 1.651 0.000 1.526) 2.248 1.442 ( 0.383 0.000 -1.314) 1.369 1.525 ( 0.386 0.000 0.973) 1.047 1.736 ( 7.795 0.000 -2.120) 8.079 1.815 ( -9.312 -0.000 -0.209) 9.315 1.859 ( -2.715 -0.000 -5.896) 6.491 1.925 ( 3.367 0.000 5.876) 6.772 1.971 ( -1.575 -0.000 2.400) 2.871 2.461 ( -2.800 -0.000 0.603) 2.864 2.484 ( 3.590 0.000 0.098) 3.591 2.612 ( -0.442 -0.000 -5.612) 5.629 2.688 ( 0.478 0.000 0.103) 0.489 2.861 ( -2.079 -0.000 -1.592) 2.618 3.088 ( 4.158 0.000 4.656) 6.242 3.296 ( -3.133 -0.000 6.992) 7.662 3.747 ( 3.783 0.000 -0.863) 3.880 4.467 ( 0.638 0.000 -1.566) 1.691 4.831 ( 2.340 0.000 2.273) 3.262 4.925 ( 2.619 0.000 0.017) 2.619 5.559 ( 7.587 0.000 0.297) 7.593 5.754 ( 0.896 0.000 -0.882) 1.257 8.371 ( 0.002 0.000 0.002) 0.003 8.382 ( 2.857 0.000 -0.963) 3.015 8.652 ( -2.471 -0.000 0.497) 2.520 9.333 ( -0.282 -0.000 0.053) 0.287 10.062 ( 0.008 0.000 0.007) 0.011 10.129 ( -4.705 -0.000 -1.380) 4.903 10.178 ( 5.094 0.000 0.811) 5.158 10.387 ( -1.503 -0.000 -1.549) 2.158======================= Grid point 114 (51/140) =======================q-point: ( 0.44 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.516 ( 3.566 -7.207 -0.767) 8.077 0.656 ( -0.852 -0.170 1.040) 1.355 0.757 ( 2.565 -1.569 3.683) 4.755 0.867 ( 0.821 -0.284 0.375) 0.946 0.922 ( 3.570 -0.326 -0.139) 3.588 0.970 ( -1.827 1.903 0.044) 2.639 1.021 ( -1.768 -1.488 -1.235) 2.620 1.030 ( -1.772 -1.572 -0.807) 2.503 1.132 ( 2.036 -1.706 0.222) 2.666 1.283 ( 0.378 -5.120 -0.438) 5.153 1.382 ( 0.593 0.848 0.592) 1.192 1.529 ( 1.258 -2.305 1.618) 3.084 1.573 ( 0.591 -10.842 -0.875) 10.893 1.718 ( -4.554 1.022 -0.715) 4.721 1.793 ( 4.651 0.600 -0.958) 4.786 1.827 ( -4.092 -1.750 -3.689) 5.781 1.961 ( 1.787 0.390 3.118) 3.615 1.996 ( 1.045 -0.828 3.183) 3.451 2.422 ( -0.748 1.547 0.448) 1.775 2.542 ( -0.895 2.336 -3.522) 4.320 2.574 ( 2.102 -6.650 -0.348) 6.983 2.749 ( 0.787 -2.000 -2.506) 3.301 2.880 ( -1.942 -6.575 -3.232) 7.579 3.138 ( 3.101 0.431 6.844) 7.526 3.288 ( -2.993 -0.052 6.852) 7.477 3.760 ( 2.539 1.805 -1.306) 3.378 4.458 ( 0.334 0.789 -2.934) 3.056 4.824 ( 1.302 3.394 1.865) 4.086 4.959 ( 1.542 -1.193 -0.018) 1.950 5.600 ( 6.340 3.528 0.050) 7.256 5.715 ( -0.122 4.574 -0.961) 4.675 8.390 ( 0.101 -1.866 -0.385) 1.908 8.411 ( 3.995 -0.144 -0.640) 4.048 8.621 ( -3.900 0.142 0.443) 3.928 9.308 ( -0.136 2.553 0.028) 2.556 10.070 ( -0.753 -0.111 0.503) 0.912 10.089 ( -2.305 -1.066 -1.266) 2.838 10.216 ( 4.109 2.162 1.223) 4.802 10.343 ( -1.533 1.934 -1.645) 2.966======================= Grid point 115 (52/140) =======================q-point: ( 0.56 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( 1.112 -2.852 -0.561) 3.112 0.669 ( 0.029 -2.518 0.960) 2.695 0.822 ( 1.652 -2.426 1.339) 3.227 0.859 ( -0.891 1.356 -0.294) 1.649 0.927 ( -0.894 0.840 -0.633) 1.380 0.965 ( 2.394 -0.581 1.182) 2.732 1.023 ( -1.206 -0.997 -1.235) 1.994 1.033 ( -1.065 -0.492 -0.416) 1.245 1.184 ( 1.831 -1.834 0.799) 2.712 1.347 ( -0.891 0.562 0.078) 1.057 1.378 ( -1.793 -3.816 0.889) 4.309 1.557 ( 0.981 -0.228 1.038) 1.446 1.693 ( -0.027 -0.745 -1.562) 1.730 1.761 ( 1.999 -2.281 -0.910) 3.167 1.785 ( -4.637 -1.560 -1.221) 5.043 1.916 ( 1.459 -14.756 -1.816) 14.938 1.978 ( 2.222 3.192 3.224) 5.052 2.019 ( -1.227 -4.084 2.788) 5.095 2.435 ( 3.603 -1.512 0.587) 3.951 2.503 ( -2.793 -0.716 -1.509) 3.254 2.732 ( 0.872 -9.190 -0.538) 9.247 2.747 ( 0.110 0.222 -1.878) 1.894 2.976 ( -1.460 -6.810 -7.528) 10.256 3.192 ( 2.297 -1.028 8.667) 9.025 3.287 ( -2.644 -0.701 6.948) 7.467 3.729 ( 1.170 3.412 -1.477) 3.898 4.429 ( 0.222 1.415 -4.222) 4.459 4.762 ( 0.366 5.473 1.951) 5.822 4.990 ( 0.443 -1.329 -0.119) 1.405 5.566 ( 4.101 6.533 -0.384) 7.724 5.598 ( -1.198 7.868 -0.748) 7.994 8.422 ( 2.068 -0.927 -0.963) 2.462 8.470 ( 3.413 -2.267 0.446) 4.122 8.574 ( -5.293 -0.089 -0.086) 5.295 9.253 ( -0.068 3.593 -0.020) 3.593 10.038 ( -1.218 1.620 -0.265) 2.044 10.123 ( 0.724 -2.656 0.355) 2.776 10.163 ( -0.316 5.853 -0.364) 5.873 10.318 ( 0.872 0.416 -0.314) 1.015======================= Grid point 116 (53/140) =======================q-point: (-0.33 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( 0.784 -0.102 -1.696) 1.871 0.713 ( -1.227 -1.498 1.207) 2.282 0.811 ( 0.045 3.176 0.234) 3.185 0.875 ( 0.780 -1.336 -0.065) 1.548 0.914 ( -1.278 -1.191 -0.704) 1.884 0.977 ( -2.325 0.558 0.009) 2.391 1.028 ( 1.437 0.546 0.005) 1.537 1.036 ( 1.683 -0.756 -0.871) 2.040 1.226 ( 1.521 -0.484 1.490) 2.184 1.291 ( -2.557 2.804 -0.634) 3.848 1.439 ( 0.128 -2.993 3.867) 4.892 1.555 ( 0.060 1.531 0.234) 1.550 1.701 ( 0.813 0.144 -2.509) 2.642 1.754 ( -2.974 0.669 -0.205) 3.055 1.774 ( -1.815 -1.591 -1.358) 2.770 1.946 ( 1.507 2.431 3.327) 4.387 2.101 ( 1.063 -7.211 0.098) 7.289 2.234 ( 1.185 -15.633 -0.331) 15.681 2.494 ( -2.148 -1.844 0.300) 2.847 2.536 ( 3.836 -4.811 0.915) 6.221 2.718 ( 0.055 1.513 -1.428) 2.081 2.898 ( -0.083 -8.606 -0.241) 8.610 3.003 ( -1.500 -1.401 -7.337) 7.619 3.250 ( -0.471 -0.563 7.009) 7.047 3.333 ( -0.484 -4.316 6.279) 7.635 3.664 ( 0.145 4.264 -1.286) 4.456 4.389 ( 0.331 1.712 -5.076) 5.367 4.668 ( -0.713 6.106 2.529) 6.648 5.012 ( 0.071 -1.175 -0.222) 1.198 5.434 ( -2.402 8.324 -1.372) 8.772 5.472 ( 2.244 7.986 0.150) 8.296 8.453 ( 2.375 0.365 -1.173) 2.674 8.497 ( -3.202 -0.024 1.038) 3.366 8.576 ( 1.181 -3.764 -0.264) 3.953 9.196 ( -0.013 2.901 -0.036) 2.902 9.988 ( 0.369 4.273 0.056) 4.289 10.053 ( -2.609 3.170 -1.896) 4.522 10.188 ( 2.982 -1.923 1.730) 3.947 10.317 ( -0.511 0.215 -0.371) 0.667======================= Grid point 117 (54/140) =======================q-point: (-0.22 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.647 ( 1.703 1.917 -2.201) 3.379 0.704 ( -2.487 0.255 0.719) 2.602 0.758 ( 1.434 4.244 1.459) 4.711 0.876 ( -0.701 0.163 -1.221) 1.417 0.912 ( -2.276 3.261 -1.232) 4.163 0.942 ( -0.943 -2.703 -0.416) 2.893 1.024 ( -0.517 0.431 0.524) 0.853 1.074 ( 3.471 -0.150 -0.212) 3.481 1.210 ( -0.025 3.970 -1.521) 4.251 1.247 ( -0.132 -0.445 1.791) 1.850 1.510 ( 1.367 1.300 1.654) 2.509 1.528 ( 2.802 -0.967 4.841) 5.676 1.666 ( -2.100 2.488 -1.017) 3.411 1.728 ( -3.161 -1.636 -0.153) 3.563 1.772 ( -2.864 -1.358 -0.793) 3.267 1.954 ( 2.420 0.704 2.608) 3.627 2.230 ( 0.315 -7.036 -3.335) 7.793 2.423 ( 1.485 -4.696 -1.915) 5.285 2.521 ( -2.504 -3.239 2.773) 4.945 2.666 ( 3.847 -4.422 -1.236) 5.990 2.692 ( 0.607 0.663 0.703) 1.141 2.965 ( -2.070 0.713 -5.323) 5.755 2.997 ( -0.119 -2.721 -0.044) 2.724 3.270 ( -1.202 -0.507 7.173) 7.290 3.411 ( -0.252 -2.250 3.079) 3.822 3.588 ( -0.208 4.102 -0.934) 4.213 4.352 ( 0.856 1.082 -5.098) 5.282 4.572 ( -1.418 4.780 3.145) 5.895 5.035 ( 0.793 -1.380 -0.355) 1.631 5.274 ( -2.600 6.977 -1.452) 7.586 5.371 ( 0.917 5.079 0.517) 5.187 8.407 ( -4.409 1.434 -0.827) 4.710 8.522 ( 3.236 -0.971 1.072) 3.545 8.644 ( 1.654 -1.847 -0.368) 2.506 9.161 ( -0.011 1.031 -0.065) 1.033 9.914 ( -0.125 3.158 0.032) 3.161 10.009 ( -0.021 0.690 -1.463) 1.617 10.252 ( 3.362 -1.013 1.868) 3.978 10.295 ( -2.798 0.087 -0.958) 2.959======================= Grid point 118 (55/140) =======================q-point: (-0.11 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.603 ( 1.346 4.262 -1.645) 4.763 0.675 ( -0.415 1.649 1.734) 2.429 0.708 ( 2.138 4.203 1.857) 5.068 0.840 ( -0.440 2.406 -1.285) 2.763 0.866 ( -0.248 0.369 -1.218) 1.296 0.970 ( -0.358 -1.332 -0.602) 1.505 1.002 ( -2.531 0.522 0.580) 2.648 1.097 ( 3.037 1.320 1.031) 3.468 1.150 ( 1.378 3.116 -1.384) 3.677 1.271 ( 2.926 -0.106 0.324) 2.946 1.480 ( 2.775 2.610 -0.549) 3.849 1.583 ( -1.672 1.512 -1.178) 2.543 1.646 ( 2.147 -2.550 5.585) 6.504 1.725 ( -4.187 -1.712 2.657) 5.247 1.763 ( -3.507 -1.589 0.791) 3.930 1.970 ( 2.673 1.529 1.531) 3.439 2.291 ( -2.316 -2.568 -5.906) 6.844 2.449 ( 0.881 1.656 -2.203) 2.894 2.518 ( -2.117 2.148 1.197) 3.245 2.657 ( 0.371 1.658 -1.541) 2.294 2.782 ( 2.599 -2.936 -0.030) 3.921 2.920 ( -2.507 0.389 -0.989) 2.723 2.977 ( 0.260 5.163 0.112) 5.171 3.292 ( -1.337 -0.538 6.995) 7.142 3.396 ( -0.847 4.524 0.091) 4.604 3.535 ( 0.897 1.419 -0.263) 1.699 4.347 ( 1.939 -0.898 -4.194) 4.707 4.513 ( -0.841 1.922 3.481) 4.064 5.075 ( 2.016 -1.143 -0.942) 2.502 5.145 ( -1.361 4.444 -0.639) 4.691 5.352 ( 0.733 -1.914 0.960) 2.263 8.344 ( -3.682 0.739 -0.327) 3.769 8.574 ( 3.929 0.080 1.630) 4.255 8.653 ( 0.108 1.353 -1.401) 1.951 9.163 ( -0.030 -1.261 -0.070) 1.263 9.911 ( 0.441 -2.646 0.459) 2.721 10.009 ( 2.432 0.202 -0.814) 2.573 10.255 ( -4.150 -0.049 -1.141) 4.304 10.295 ( 2.306 -0.032 1.012) 2.519======================= Grid point 123 (56/140) =======================q-point: ( 0.44 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.482 ( 4.579 0.000 -1.358) 4.776 0.633 ( -3.229 -0.000 1.473) 3.549 0.767 ( -0.382 -0.000 3.578) 3.598 0.870 ( 0.139 0.000 -0.196) 0.241 0.943 ( 0.096 0.000 -0.835) 0.841 0.966 ( -0.909 -0.000 1.171) 1.482 0.988 ( -0.006 -0.000 -1.350) 1.350 1.016 ( 0.779 0.000 -1.455) 1.650 1.134 ( 1.504 0.000 1.194) 1.920 1.243 ( 0.868 0.000 -0.919) 1.264 1.393 ( -0.377 -0.000 0.018) 0.377 1.448 ( 0.650 0.000 -0.287) 0.710 1.552 ( 0.359 0.000 1.394) 1.440 1.669 ( -4.301 -0.000 -0.070) 4.301 1.764 ( -1.977 -0.000 -2.703) 3.349 1.866 ( 4.956 0.000 -1.200) 5.099 1.961 ( -1.057 -0.000 2.901) 3.087 2.047 ( 4.023 0.000 3.820) 5.548 2.413 ( -2.276 -0.000 1.406) 2.675 2.528 ( 0.736 0.000 -2.199) 2.319 2.570 ( 0.777 0.000 -6.454) 6.501 2.718 ( 2.417 0.000 -0.809) 2.549 2.796 ( -2.667 -0.000 -2.735) 3.820 3.189 ( 1.670 0.000 7.795) 7.972 3.283 ( -2.734 -0.000 6.984) 7.500 3.790 ( 1.338 0.000 -1.826) 2.264 4.454 ( -0.003 -0.000 -3.972) 3.972 4.865 ( 0.063 0.000 1.530) 1.531 4.962 ( 1.006 0.000 -0.108) 1.011 5.684 ( 4.135 0.000 -0.724) 4.198 5.747 ( -0.668 -0.000 -0.472) 0.818 8.371 ( 0.008 0.000 0.030) 0.031 8.452 ( 4.806 0.000 -0.970) 4.903 8.582 ( -4.749 -0.000 0.287) 4.758 9.330 ( -0.109 -0.000 -0.017) 0.110 10.061 ( -1.093 -0.000 0.069) 1.095 10.063 ( 0.003 0.000 0.010) 0.010 10.280 ( 2.696 0.000 0.677) 2.780 10.332 ( -1.493 -0.000 -1.437) 2.072======================= Grid point 124 (57/140) =======================q-point: (-0.44 -0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.579 ( 3.259 -5.253 -0.696) 6.221 0.619 ( -3.507 -1.985 0.960) 4.142 0.782 ( -2.347 -2.580 2.444) 4.259 0.865 ( -0.696 0.240 -0.581) 0.938 0.921 ( -1.419 0.596 -0.961) 1.814 0.977 ( 0.590 -0.064 0.825) 1.016 0.999 ( 0.213 -1.673 -0.803) 1.868 1.026 ( 1.515 -0.220 -0.487) 1.606 1.169 ( 0.774 -1.748 1.023) 2.168 1.279 ( 0.720 -3.263 -0.350) 3.359 1.374 ( -1.191 1.251 -0.438) 1.782 1.544 ( -1.014 -3.282 0.827) 3.534 1.582 ( 0.248 -9.914 -0.244) 9.920 1.667 ( 0.570 -2.351 -0.330) 2.442 1.733 ( -1.252 0.646 -2.449) 2.825 1.883 ( 1.934 1.656 -0.804) 2.670 1.977 ( -0.670 -1.635 3.335) 3.774 2.070 ( 2.745 2.740 4.345) 5.824 2.415 ( -0.789 -1.606 1.466) 2.313 2.506 ( 0.750 1.842 -5.554) 5.899 2.593 ( -0.117 -5.958 -0.191) 5.963 2.758 ( 1.266 0.571 -3.130) 3.424 2.814 ( -1.570 -7.140 -4.181) 8.422 3.229 ( 0.713 -0.307 8.671) 8.706 3.280 ( -2.375 0.030 7.077) 7.465 3.774 ( -0.051 1.835 -2.146) 2.825 4.432 ( -0.218 0.708 -4.947) 5.002 4.840 ( -0.680 3.068 1.491) 3.478 4.974 ( -0.038 -0.821 -0.152) 0.836 5.659 ( -2.016 3.800 -1.735) 4.638 5.712 ( 1.926 4.615 0.347) 5.013 8.391 ( 0.151 -2.212 0.026) 2.217 8.502 ( 5.100 -0.389 -0.457) 5.135 8.527 ( -5.193 0.647 -0.256) 5.239 9.306 ( -0.099 2.521 -0.076) 2.524 10.048 ( 0.034 0.825 -0.126) 0.835 10.090 ( 1.103 -2.129 0.917) 2.567 10.239 ( -2.305 3.464 -1.484) 4.417 10.337 ( 1.927 0.769 0.373) 2.108======================= Grid point 125 (58/140) =======================q-point: (-0.33 -0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( -2.037 -2.068 -0.854) 3.026 0.668 ( -1.211 -2.934 1.033) 3.338 0.825 ( -2.693 -4.049 1.409) 5.063 0.849 ( -0.365 0.350 -0.540) 0.739 0.891 ( -0.701 1.382 -1.117) 1.910 0.973 ( -0.537 0.617 0.242) 0.853 1.042 ( 1.773 -1.198 0.180) 2.147 1.051 ( 3.115 -0.456 -0.264) 3.159 1.203 ( -1.149 -1.830 1.126) 2.436 1.323 ( -0.984 1.535 -0.563) 1.908 1.369 ( 0.588 -5.174 1.126) 5.328 1.545 ( -2.369 -0.899 -0.276) 2.549 1.683 ( -2.111 -1.197 -1.279) 2.743 1.705 ( 1.983 -0.044 -2.467) 3.166 1.806 ( 0.180 0.575 0.050) 0.604 1.924 ( 0.540 -14.717 -1.496) 14.803 2.000 ( -0.761 -0.741 2.216) 2.458 2.090 ( 4.548 -0.564 5.662) 7.284 2.435 ( -2.416 -1.849 1.556) 3.417 2.521 ( 3.879 -2.426 -1.389) 4.782 2.726 ( -1.196 -9.023 -0.898) 9.146 2.742 ( 0.980 0.050 -2.568) 2.749 2.894 ( -1.939 -5.553 -6.407) 8.697 3.271 ( -0.144 0.060 7.886) 7.888 3.291 ( -1.460 -2.178 7.461) 7.909 3.718 ( -1.155 3.119 -2.116) 3.942 4.396 ( -0.285 1.133 -5.554) 5.676 4.762 ( -1.601 5.269 1.888) 5.822 4.989 ( -0.373 -1.395 -0.138) 1.451 5.528 ( -4.219 6.812 -1.398) 8.134 5.624 ( 1.050 7.603 -0.107) 7.676 8.439 ( -1.575 -1.768 -0.876) 2.525 8.464 ( -3.037 -0.620 0.700) 3.178 8.563 ( 4.656 -1.107 -0.458) 4.807 9.252 ( 0.020 3.541 -0.053) 3.542 10.036 ( 0.968 1.102 -0.355) 1.509 10.106 ( -0.790 4.489 -0.189) 4.562 10.181 ( 0.691 -1.637 0.223) 1.791 10.327 ( 0.084 1.620 -0.028) 1.623======================= Grid point 126 (59/140) =======================q-point: (-0.22 -0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.634 ( -1.383 -1.812 -2.429) 3.331 0.681 ( -2.770 -1.307 1.640) 3.475 0.828 ( -1.785 0.032 -0.567) 1.873 0.848 ( -1.214 1.818 -0.470) 2.237 0.877 ( -0.861 -2.171 1.255) 2.651 0.950 ( 0.058 1.489 -0.618) 1.613 1.041 ( -0.281 1.460 -1.042) 1.815 1.105 ( 4.422 -0.795 0.193) 4.497 1.207 ( -2.728 -0.514 1.723) 3.267 1.292 ( 1.927 1.788 -0.454) 2.667 1.492 ( 1.198 -5.455 4.481) 7.160 1.537 ( -0.686 -1.203 -0.006) 1.384 1.662 ( -2.969 -0.975 -2.625) 4.081 1.705 ( 0.303 3.103 -0.323) 3.135 1.739 ( -2.439 1.581 -1.180) 3.137 1.988 ( 0.915 -0.007 0.165) 0.930 2.166 ( 4.933 -3.032 0.797) 5.845 2.255 ( 0.574 -15.061 1.088) 15.111 2.464 ( -0.938 -2.633 4.398) 5.211 2.618 ( 3.071 -4.583 -1.778) 5.796 2.724 ( 1.944 1.196 -1.321) 2.637 2.881 ( -1.469 -8.139 -1.512) 8.407 2.913 ( -2.690 -2.931 -4.940) 6.343 3.283 ( -0.940 0.171 7.393) 7.454 3.363 ( -0.613 -3.860 5.143) 6.460 3.640 ( -1.605 3.449 -1.775) 4.198 4.357 ( 0.035 0.988 -5.573) 5.660 4.654 ( -2.371 5.715 2.507) 6.676 5.015 ( 0.415 -1.833 -0.039) 1.880 5.358 ( -4.273 7.313 -1.110) 8.542 5.490 ( -0.342 8.028 -0.319) 8.042 8.377 ( -4.807 1.124 -0.836) 5.007 8.529 ( 2.451 -3.269 1.340) 4.300 8.621 ( 2.269 -1.639 -1.092) 3.004 9.196 ( 0.050 2.927 -0.054) 2.928 9.995 ( -0.561 6.116 -0.257) 6.147 10.033 ( 2.608 1.127 -0.112) 2.843 10.229 ( -1.564 -2.266 -0.747) 2.853 10.298 ( 0.378 1.132 0.661) 1.364======================= Grid point 127 (60/140) =======================q-point: (-0.11 -0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( -1.006 0.202 -2.885) 3.062 0.693 ( -0.215 -1.169 1.690) 2.066 0.793 ( 1.155 3.636 0.200) 3.820 0.811 ( -4.325 -1.606 -0.146) 4.615 0.882 ( -0.050 1.428 0.474) 1.505 0.946 ( 0.982 -0.928 -0.322) 1.389 0.999 ( -2.049 1.198 -1.046) 2.594 1.152 ( 3.222 0.492 1.157) 3.459 1.191 ( -0.518 0.898 0.957) 1.411 1.301 ( 3.729 0.047 -0.746) 3.803 1.514 ( -0.660 -0.255 -1.343) 1.518 1.607 ( -2.533 4.395 -1.097) 5.190 1.626 ( -1.721 -1.816 2.252) 3.366 1.664 ( 0.602 -3.822 4.305) 5.788 1.721 ( -1.509 -0.390 1.064) 1.887 2.006 ( 1.066 -0.709 -1.017) 1.635 2.231 ( 2.551 -0.783 -1.524) 3.073 2.437 ( 0.021 -4.848 0.056) 4.848 2.519 ( 0.015 -1.435 3.582) 3.859 2.677 ( 1.990 -0.301 -4.851) 5.252 2.759 ( 2.338 -2.197 1.845) 3.700 2.875 ( -3.086 -1.306 -3.734) 5.018 2.992 ( -0.304 -3.438 -0.122) 3.454 3.298 ( -1.008 -0.124 7.095) 7.167 3.417 ( -0.888 -1.245 1.869) 2.414 3.568 ( -0.972 2.484 -1.206) 2.928 4.336 ( 0.982 -0.329 -4.925) 5.032 4.558 ( -2.025 3.662 3.155) 5.241 5.063 ( 2.147 -2.479 0.036) 3.280 5.206 ( -3.332 5.596 -0.831) 6.565 5.375 ( -0.575 4.079 -0.146) 4.122 8.320 ( -2.953 0.613 -0.357) 3.036 8.609 ( 3.279 -1.810 1.703) 4.115 8.644 ( -0.509 -0.567 -1.994) 2.134 9.161 ( 0.025 1.081 -0.043) 1.082 9.913 ( -0.043 2.753 0.054) 2.754 10.053 ( 4.342 0.626 0.466) 4.411 10.203 ( -4.689 -0.212 -1.461) 4.916 10.312 ( 1.097 -0.319 0.473) 1.237======================= Grid point 133 (61/140) =======================q-point: (-0.44 -0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.535 ( -1.825 -0.000 -0.169) 1.833 0.581 ( 0.664 0.000 0.309) 0.732 0.722 ( -5.939 -0.000 2.240) 6.347 0.847 ( -2.395 -0.000 -1.062) 2.620 0.920 ( 0.362 0.000 -0.818) 0.894 0.972 ( -0.139 -0.000 -1.282) 1.289 0.984 ( 0.571 0.000 0.638) 0.857 1.046 ( 2.662 0.000 -0.074) 2.663 1.155 ( -0.524 -0.000 1.453) 1.545 1.276 ( 1.731 0.000 0.196) 1.742 1.368 ( -1.946 -0.000 -0.501) 2.009 1.461 ( 0.711 0.000 0.090) 0.717 1.528 ( -2.911 -0.000 -0.341) 2.931 1.673 ( 4.674 0.000 0.127) 4.676 1.728 ( -0.582 -0.000 -2.299) 2.371 1.903 ( -0.732 -0.000 -0.637) 0.970 1.969 ( -0.230 -0.000 3.448) 3.456 2.136 ( 1.990 0.000 6.656) 6.947 2.407 ( 1.065 0.000 1.417) 1.772 2.487 ( -0.536 -0.000 -7.681) 7.700 2.549 ( -1.035 -0.000 -2.150) 2.386 2.712 ( -2.890 -0.000 -2.221) 3.645 2.777 ( 3.276 0.000 -2.644) 4.210 3.253 ( -0.853 -0.000 9.094) 9.134 3.285 ( -1.729 -0.000 7.523) 7.719 3.773 ( -1.511 -0.000 -2.704) 3.097 4.416 ( -0.573 -0.000 -5.675) 5.704 4.860 ( -1.389 -0.000 1.416) 1.984 4.960 ( -1.108 -0.000 -0.176) 1.122 5.652 ( -4.756 -0.000 -1.512) 4.990 5.769 ( 1.099 0.000 -0.035) 1.100 8.372 ( 0.009 0.000 0.045) 0.046 8.476 ( -5.313 -0.000 -0.317) 5.322 8.553 ( 5.269 0.000 -0.518) 5.295 9.327 ( -0.020 -0.000 -0.105) 0.106 10.063 ( -0.005 -0.000 0.012) 0.013 10.089 ( 2.866 0.000 1.203) 3.108 10.228 ( -3.291 -0.000 -1.497) 3.616 10.371 ( 1.956 0.000 0.083) 1.958======================= Grid point 134 (62/140) =======================q-point: (-0.33 -0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.540 ( -4.609 -3.420 0.512) 5.762 0.617 ( -0.487 -1.890 -0.252) 1.968 0.704 ( -5.665 -4.889 1.708) 7.675 0.824 ( -2.397 -0.940 -0.815) 2.701 0.912 ( 0.090 0.936 -0.666) 1.152 0.983 ( 0.192 0.260 0.197) 0.379 1.023 ( 3.336 -3.337 0.081) 4.719 1.076 ( 3.280 -0.210 -0.071) 3.288 1.162 ( -2.079 -1.366 0.812) 2.617 1.291 ( -0.975 -1.733 0.106) 1.992 1.337 ( -2.531 0.053 -0.130) 2.535 1.497 ( -2.654 -1.022 -0.544) 2.896 1.592 ( 1.039 -11.368 -0.403) 11.422 1.703 ( -0.663 0.521 -2.531) 2.668 1.743 ( 6.415 -1.115 -0.033) 6.511 1.863 ( -2.725 2.080 -0.923) 3.550 1.987 ( -0.592 -0.694 3.268) 3.393 2.170 ( 3.515 1.019 7.541) 8.382 2.414 ( 0.405 0.552 -0.079) 0.689 2.499 ( 1.931 -3.192 -4.751) 6.041 2.567 ( -2.373 -5.656 0.107) 6.135 2.712 ( -2.129 -3.194 -4.750) 6.107 2.808 ( 2.081 -1.231 -2.365) 3.382 3.277 ( -1.845 -0.839 8.669) 8.903 3.295 ( -0.911 0.170 8.226) 8.279 3.729 ( -2.731 1.509 -2.945) 4.291 4.385 ( -0.734 0.514 -6.046) 6.112 4.820 ( -2.338 3.166 1.710) 4.291 4.956 ( -1.530 -1.329 -0.095) 2.028 5.561 ( -6.097 3.577 -1.238) 7.176 5.732 ( -0.458 4.555 -0.420) 4.597 8.391 ( -0.704 -1.774 -0.273) 1.928 8.421 ( -4.025 -0.196 -0.439) 4.054 8.602 ( 4.533 -0.038 -0.131) 4.535 9.306 ( 0.147 2.484 -0.064) 2.489 10.058 ( 0.687 0.539 -0.156) 0.887 10.139 ( 1.848 -2.039 0.391) 2.780 10.179 ( -0.994 2.803 0.143) 2.977 10.363 ( 0.290 2.035 -0.841) 2.221======================= Grid point 135 (63/140) =======================q-point: (-0.22 -0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.552 ( -4.316 -3.700 -1.065) 5.784 0.621 ( -3.934 -2.058 1.257) 4.614 0.745 ( -4.868 -4.070 0.358) 6.356 0.834 ( -0.666 -2.191 0.620) 2.373 0.890 ( 0.558 1.661 -0.652) 1.869 0.970 ( -0.359 1.115 -0.110) 1.177 1.055 ( -1.428 1.591 -1.306) 2.505 1.133 ( 3.837 -1.144 0.522) 4.038 1.172 ( -1.646 -1.551 1.381) 2.650 1.308 ( -0.764 -0.732 0.359) 1.117 1.378 ( -1.907 -8.169 0.157) 8.390 1.506 ( 1.220 -1.928 0.380) 2.313 1.642 ( -1.739 1.631 -2.114) 3.186 1.738 ( 1.085 0.424 -1.043) 1.564 1.782 ( -0.738 4.110 -0.505) 4.206 1.937 ( 2.157 -14.500 -1.889) 14.780 1.999 ( -1.091 -3.364 3.084) 4.692 2.238 ( 6.633 -0.006 4.345) 7.930 2.436 ( 0.670 -2.318 4.528) 5.131 2.565 ( 1.636 -3.450 -2.777) 4.721 2.685 ( -1.869 -9.784 -1.178) 10.030 2.742 ( 0.824 -3.506 -4.209) 5.539 2.828 ( -1.256 -1.161 -2.237) 2.815 3.296 ( -1.591 -0.506 7.196) 7.387 3.326 ( -0.899 -1.532 8.011) 8.206 3.656 ( -3.300 2.212 -2.804) 4.863 4.349 ( -0.421 0.611 -5.821) 5.868 4.725 ( -3.480 5.128 2.118) 6.550 4.977 ( -0.701 -2.543 0.159) 2.642 5.415 ( -6.086 5.690 -0.953) 8.386 5.613 ( -1.716 7.559 -0.687) 7.782 8.350 ( -3.620 1.033 -0.893) 3.868 8.468 ( 0.220 -4.785 0.172) 4.794 8.638 ( 2.910 0.143 -0.161) 2.918 9.254 ( 0.136 3.586 -0.077) 3.589 10.056 ( 1.281 1.430 -0.260) 1.937 10.113 ( 0.528 3.820 0.763) 3.931 10.181 ( 0.128 -0.592 -0.560) 0.825 10.321 ( -0.550 1.562 -0.756) 1.820======================= Grid point 136 (64/140) =======================q-point: (-0.11 -0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.576 ( -2.793 -3.711 -2.539) 5.293 0.636 ( -2.534 -3.391 2.460) 4.896 0.741 ( -4.426 -1.531 0.183) 4.687 0.852 ( 0.463 1.720 -0.166) 1.789 0.891 ( 1.018 -1.377 1.506) 2.280 0.942 ( -0.894 0.763 -1.403) 1.831 0.994 ( -2.380 1.353 -1.173) 2.978 1.165 ( -2.526 -0.587 0.718) 2.691 1.185 ( 0.340 -1.292 1.876) 2.303 1.321 ( 0.660 -1.018 -0.146) 1.222 1.468 ( -0.249 -3.409 -2.421) 4.188 1.585 ( -3.087 0.974 -2.529) 4.107 1.615 ( 2.912 -4.136 4.404) 6.707 1.666 ( -1.738 2.633 -0.191) 3.161 1.747 ( 2.043 2.643 1.960) 3.873 1.978 ( -1.317 -0.653 -1.022) 1.790 2.255 ( 2.072 -12.650 -2.527) 13.065 2.308 ( 5.594 -0.631 3.377) 6.565 2.516 ( 1.488 -1.996 6.412) 6.879 2.635 ( 2.002 -4.459 -4.632) 6.734 2.773 ( 2.670 -2.324 -2.883) 4.565 2.802 ( -3.137 -0.042 -1.146) 3.340 2.867 ( -1.236 -9.652 -0.216) 9.733 3.312 ( -0.972 0.039 7.016) 7.083 3.373 ( -1.531 -2.821 4.570) 5.585 3.581 ( -2.813 1.792 -2.221) 4.008 4.324 ( 0.492 0.038 -5.112) 5.136 4.610 ( -3.618 4.598 2.631) 6.415 5.030 ( 1.005 -3.501 0.365) 3.661 5.259 ( -4.875 5.643 -0.684) 7.488 5.461 ( -2.090 7.313 -0.663) 7.635 8.306 ( -1.632 0.591 -0.381) 1.777 8.553 ( -0.610 -4.790 -0.811) 4.896 8.656 ( 1.685 0.158 0.267) 1.714 9.197 ( 0.109 2.983 -0.062) 2.985 9.990 ( -0.027 5.789 -0.197) 5.793 10.102 ( 1.185 0.391 0.958) 1.573 10.165 ( -0.310 0.579 -0.936) 1.144 10.309 ( -0.500 -0.352 -0.725) 0.949======================= Grid point 143 (65/140) =======================q-point: (-0.33 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.459 ( -4.776 -0.000 2.404) 5.347 0.585 ( -8.928 -0.000 2.750) 9.341 0.597 ( -0.981 -0.000 -3.355) 3.495 0.784 ( -1.907 -0.000 0.123) 1.911 0.918 ( -0.177 -0.000 0.190) 0.260 0.992 ( 2.753 0.000 0.014) 2.753 1.019 ( 1.867 0.000 -1.119) 2.177 1.107 ( 3.164 0.000 0.242) 3.174 1.126 ( -2.981 -0.000 0.638) 3.049 1.237 ( -8.288 -0.000 0.770) 8.324 1.306 ( -3.505 -0.000 -0.370) 3.525 1.481 ( 1.345 0.000 -0.115) 1.350 1.486 ( 1.251 0.000 -0.835) 1.504 1.693 ( -1.584 -0.000 -2.634) 3.074 1.824 ( 9.314 0.000 0.183) 9.316 1.846 ( -3.515 -0.000 -1.213) 3.718 1.990 ( -0.373 -0.000 3.627) 3.646 2.234 ( 2.301 0.000 10.361) 10.614 2.423 ( -0.602 -0.000 -7.225) 7.250 2.468 ( 3.720 0.000 0.665) 3.779 2.492 ( -3.116 -0.000 -2.134) 3.777 2.644 ( -1.880 -0.000 -2.273) 2.950 2.822 ( 2.725 0.000 -2.445) 3.661 3.278 ( -2.594 -0.000 9.093) 9.456 3.318 ( -0.486 -0.000 9.635) 9.647 3.696 ( -4.084 -0.000 -3.482) 5.367 4.361 ( -0.834 -0.000 -6.161) 6.217 4.831 ( -2.767 -0.000 2.217) 3.546 4.920 ( -2.675 -0.000 -0.153) 2.679 5.520 ( -7.226 -0.000 -1.008) 7.296 5.758 ( -1.850 -0.000 -0.782) 2.009 8.372 ( -0.008 -0.000 0.033) 0.034 8.377 ( -3.785 -0.000 -1.147) 3.954 8.642 ( 3.401 0.000 0.162) 3.405 9.330 ( 0.213 0.000 -0.076) 0.226 10.063 ( -0.006 -0.000 0.014) 0.015 10.131 ( 0.432 0.000 -0.798) 0.907 10.219 ( 2.843 0.000 2.245) 3.623 10.376 ( -0.688 -0.000 -2.588) 2.678======================= Grid point 144 (66/140) =======================q-point: (-0.22 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( -5.653 -2.258 1.129) 6.191 0.528 ( -7.118 -3.429 2.029) 8.157 0.616 ( -3.861 -5.142 -1.424) 6.586 0.796 ( -0.409 -1.816 0.990) 2.109 0.913 ( 0.492 0.716 0.047) 0.870 0.977 ( -2.104 1.355 -0.702) 2.599 1.053 ( -2.563 0.838 -0.495) 2.742 1.127 ( -2.747 -1.688 0.799) 3.322 1.141 ( -0.162 -0.709 -0.086) 0.732 1.199 ( -2.260 -9.171 -0.967) 9.494 1.274 ( -2.739 -0.712 0.824) 2.947 1.513 ( 4.430 -0.893 0.682) 4.570 1.610 ( 0.909 -9.416 -1.295) 9.548 1.656 ( -2.250 -1.237 -2.455) 3.553 1.786 ( -2.903 2.320 -1.582) 4.039 1.903 ( 8.131 1.444 0.130) 8.259 1.991 ( -1.344 0.551 3.865) 4.129 2.304 ( 4.742 -1.309 6.885) 8.462 2.420 ( 1.004 -1.825 -3.277) 3.883 2.506 ( -2.137 -6.707 1.215) 7.144 2.524 ( 0.382 -2.405 -1.157) 2.696 2.656 ( 0.212 -3.167 -3.114) 4.446 2.834 ( 1.748 0.529 -1.692) 2.490 3.285 ( -2.689 -0.663 7.805) 8.282 3.349 ( 0.084 0.450 11.458) 11.467 3.631 ( -4.762 0.904 -3.572) 6.021 4.332 ( -0.298 0.215 -5.585) 5.597 4.770 ( -4.078 3.853 2.530) 6.154 4.919 ( -1.994 -2.724 0.319) 3.391 5.419 ( -7.142 2.903 -0.754) 7.746 5.692 ( -2.815 4.480 -1.070) 5.398 8.334 ( -2.218 0.813 -1.037) 2.580 8.399 ( -0.140 -3.025 -0.095) 3.030 8.666 ( 1.607 0.269 0.132) 1.635 9.308 ( 0.125 2.522 -0.115) 2.527 10.070 ( 0.160 -0.685 0.021) 0.703 10.132 ( 0.758 0.652 0.109) 1.005 10.240 ( 3.214 2.312 1.401) 4.199 10.331 ( -2.038 1.873 -3.702) 4.623======================= Grid point 145 (67/140) =======================q-point: (-0.11 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( -5.800 -5.001 0.803) 7.700 0.555 ( -3.327 -4.435 1.048) 5.643 0.658 ( -3.978 -3.802 1.126) 5.617 0.832 ( -0.657 -2.616 0.878) 2.836 0.906 ( 0.965 0.884 -0.616) 1.447 0.931 ( -4.147 -0.210 -0.454) 4.177 0.980 ( -4.401 1.114 -1.346) 4.736 1.098 ( -5.281 -1.649 0.084) 5.533 1.165 ( -0.462 -1.645 1.048) 2.004 1.271 ( -3.195 -2.617 1.214) 4.304 1.392 ( 4.514 -7.123 -3.207) 9.023 1.575 ( -3.086 1.904 -2.737) 4.543 1.604 ( 5.678 -3.213 3.474) 7.391 1.697 ( -2.017 3.793 -1.635) 4.597 1.805 ( 0.400 -2.584 1.093) 2.834 1.963 ( 0.295 -0.372 -0.747) 0.885 2.027 ( 3.159 -10.092 2.407) 10.845 2.390 ( 6.687 -0.265 -2.107) 7.016 2.508 ( 1.974 -4.693 6.729) 8.438 2.560 ( 0.666 -3.669 -3.252) 4.948 2.655 ( -0.468 -10.647 1.530) 10.767 2.708 ( -0.563 -3.837 -3.485) 5.214 2.829 ( 1.339 1.222 -0.376) 1.851 3.303 ( -1.835 -1.804 4.850) 5.491 3.371 ( -0.795 1.390 11.562) 11.672 3.558 ( -4.270 0.798 -3.010) 5.285 4.315 ( 0.786 0.105 -4.540) 4.609 4.655 ( -5.042 4.801 2.566) 7.420 4.970 ( -0.156 -4.234 0.656) 4.287 5.288 ( -5.790 4.313 -0.506) 7.237 5.557 ( -3.075 7.080 -0.924) 7.775 8.305 ( -0.245 0.573 -0.406) 0.744 8.462 ( -0.513 -4.563 -0.657) 4.639 8.668 ( -0.116 0.232 0.135) 0.293 9.256 ( 0.167 3.586 -0.086) 3.591 10.059 ( -2.468 1.983 -1.114) 3.356 10.116 ( 1.069 2.745 1.232) 3.193 10.216 ( 3.071 2.269 -0.224) 3.825 10.287 ( -1.941 -0.067 -2.393) 3.082======================= Grid point 153 (68/140) =======================q-point: (-0.22 -0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.364 ( -7.681 -0.000 2.806) 8.177 0.421 ( -9.886 -0.000 5.606) 11.365 0.518 ( -1.775 -0.000 -4.367) 4.714 0.783 ( 0.205 0.000 1.438) 1.453 0.910 ( -12.720 -0.000 -0.663) 12.738 0.931 ( -3.255 -0.000 -0.521) 3.297 1.028 ( -3.786 -0.000 0.840) 3.878 1.059 ( -2.762 -0.000 -1.888) 3.345 1.101 ( 4.219 0.000 0.294) 4.230 1.142 ( -0.269 -0.000 0.071) 0.278 1.247 ( -2.281 -0.000 1.049) 2.510 1.508 ( 1.602 0.000 -1.218) 2.012 1.570 ( 5.884 0.000 0.217) 5.888 1.620 ( -3.703 -0.000 -1.789) 4.113 1.781 ( -1.698 -0.000 -1.932) 2.572 1.963 ( 0.267 0.000 -0.192) 0.329 2.044 ( 7.377 0.000 3.628) 8.220 2.354 ( 2.910 0.000 8.923) 9.386 2.374 ( -1.263 -0.000 -2.578) 2.870 2.411 ( -2.291 -0.000 -4.147) 4.738 2.519 ( 0.853 0.000 0.632) 1.061 2.650 ( 3.553 0.000 0.169) 3.557 2.849 ( 1.405 0.000 -1.713) 2.216 3.276 ( -2.967 -0.000 7.276) 7.858 3.414 ( 2.456 0.000 16.827) 17.005 3.574 ( -5.518 -0.000 -3.721) 6.656 4.318 ( 0.647 0.000 -4.459) 4.506 4.787 ( -3.490 -0.000 4.579) 5.758 4.861 ( -2.961 -0.000 -0.052) 2.962 5.369 ( -6.957 -0.000 -0.552) 6.978 5.695 ( -3.373 -0.000 -1.442) 3.668 8.323 ( -0.730 -0.000 -1.066) 1.293 8.372 ( -0.027 -0.000 0.011) 0.029 8.676 ( -0.280 -0.000 0.003) 0.280 9.332 ( 0.093 0.000 -0.078) 0.122 10.063 ( -0.002 -0.000 0.011) 0.011 10.161 ( 2.970 0.000 1.060) 3.154 10.294 ( 2.372 0.000 1.388) 2.749 10.306 ( -3.316 -0.000 -7.631) 8.320======================= Grid point 154 (69/140) =======================q-point: (-0.11 -0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.333 ( -7.021 -1.778 5.372) 9.017 0.406 ( -6.179 -8.084 1.193) 10.245 0.552 ( -1.807 -4.943 0.741) 5.315 0.745 ( -16.418 -2.754 -0.041) 16.648 0.814 ( -1.428 -3.162 1.521) 3.788 0.922 ( -0.572 1.011 -0.980) 1.520 0.966 ( -2.871 1.414 -0.679) 3.272 1.041 ( -2.075 -1.457 -1.331) 2.864 1.133 ( -1.333 -0.896 0.262) 1.628 1.221 ( -0.740 -1.208 1.358) 1.962 1.292 ( 4.938 -9.066 -2.180) 10.551 1.556 ( -3.343 0.797 -3.518) 4.918 1.621 ( 1.965 -9.530 -0.588) 9.749 1.652 ( 4.487 -2.582 1.872) 5.505 1.733 ( -1.294 2.726 -2.823) 4.132 1.958 ( -1.783 -0.548 0.976) 2.105 2.080 ( 6.350 4.830 3.936) 8.896 2.387 ( 0.631 -2.976 -3.992) 5.019 2.408 ( -0.848 -5.684 -1.083) 5.848 2.499 ( 1.507 -6.466 -0.970) 6.710 2.555 ( 3.488 -2.971 7.719) 8.977 2.692 ( 3.519 -0.180 -0.382) 3.544 2.851 ( 0.753 0.476 -0.936) 1.292 3.274 ( -2.663 -0.793 4.337) 5.151 3.477 ( 2.432 4.247 18.212) 18.858 3.511 ( -3.780 0.266 -1.164) 3.964 4.318 ( 2.015 0.249 -2.733) 3.404 4.698 ( -5.238 5.719 3.958) 8.707 4.895 ( -0.480 -4.499 1.373) 4.728 5.285 ( -5.534 2.196 -0.332) 5.963 5.619 ( -3.340 4.203 -1.045) 5.469 8.316 ( 0.988 0.387 -0.396) 1.133 8.395 ( -0.163 -2.665 -0.218) 2.679 8.661 ( -1.909 0.224 -0.190) 1.932 9.311 ( 0.208 2.488 -0.002) 2.497 10.051 ( -2.266 1.359 -0.811) 2.764 10.185 ( 2.177 2.057 -0.508) 3.038 10.230 ( -2.478 -0.574 -5.782) 6.317 10.292 ( 0.572 2.236 0.047) 2.308======================= Grid point 163 (70/140) =======================q-point: (-0.11 -0.11 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.197 ( -9.147 -0.000 1.466) 9.263 0.290 ( -8.615 -0.000 9.694) 12.968 0.498 ( 0.501 0.000 0.215) 0.545 0.514 ( -21.471 -0.000 5.638) 22.199 0.798 ( 0.892 0.000 0.325) 0.950 0.927 ( -0.437 -0.000 -2.501) 2.539 0.930 ( -5.170 -0.000 -0.111) 5.171 1.004 ( -1.333 -0.000 -1.755) 2.204 1.112 ( -1.909 -0.000 0.115) 1.912 1.202 ( 3.817 0.000 0.880) 3.917 1.232 ( -0.417 -0.000 0.775) 0.880 1.516 ( -3.082 -0.000 -3.884) 4.958 1.522 ( 1.273 0.000 -3.164) 3.410 1.713 ( 3.806 0.000 3.673) 5.289 1.726 ( -1.253 -0.000 -4.705) 4.869 1.931 ( -2.140 -0.000 0.823) 2.293 2.233 ( 7.732 0.000 3.694) 8.569 2.325 ( -2.228 -0.000 0.537) 2.291 2.366 ( -0.327 -0.000 -3.427) 3.443 2.448 ( 3.620 0.000 -1.381) 3.875 2.580 ( 2.850 0.000 7.373) 7.905 2.730 ( 3.840 0.000 -0.970) 3.961 2.858 ( 0.241 0.000 -0.274) 0.365 3.246 ( -3.667 -0.000 0.621) 3.719 3.458 ( -3.313 -0.000 -0.609) 3.369 3.715 ( 15.110 0.000 23.327) 27.793 4.348 ( 3.705 0.000 0.399) 3.726 4.801 ( 2.179 0.000 8.569) 8.842 4.811 ( -1.882 -0.000 0.080) 1.883 5.254 ( -4.105 -0.000 -0.228) 4.111 5.623 ( -2.134 -0.000 0.709) 2.249 8.333 ( 1.967 0.000 -0.040) 1.967 8.371 ( -0.024 -0.000 -0.003) 0.024 8.638 ( -2.763 -0.000 -0.378) 2.789 9.336 ( 0.275 0.000 0.237) 0.363 10.063 ( -0.002 -0.000 0.002) 0.003 10.097 ( -11.685 -0.000 -15.712) 19.580 10.246 ( 3.865 0.000 1.697) 4.221 10.315 ( -0.648 -0.000 -0.143) 0.663======================= Grid point 164 (71/140) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.194 ( 0.439 0.000 3.041) 3.073 0.436 ( 4.734 0.000 10.882) 11.867 0.598 ( 2.147 0.000 4.103) 4.631 0.697 ( -2.612 -0.000 15.282) 15.504 0.787 ( -1.374 -0.000 -2.226) 2.616 0.790 ( -1.186 -0.000 -6.531) 6.638 0.843 ( -0.230 -0.000 -0.266) 0.352 1.003 ( 1.143 0.000 -0.893) 1.451 1.118 ( 0.617 0.000 0.399) 0.735 1.215 ( -1.160 -0.000 0.332) 1.207 1.238 ( -1.257 -0.000 0.672) 1.426 1.367 ( 2.147 0.000 -6.584) 6.926 1.426 ( 0.741 0.000 -4.725) 4.783 1.531 ( -3.254 -0.000 -2.298) 3.984 1.865 ( 0.337 0.000 2.138) 2.164 1.949 ( 0.340 0.000 1.380) 1.422 2.249 ( -1.215 -0.000 -1.172) 1.688 2.351 ( -1.123 -0.000 1.690) 2.029 2.450 ( -0.241 -0.000 -1.166) 1.191 2.573 ( 7.795 0.000 8.614) 11.617 2.607 ( -5.589 -0.000 2.031) 5.947 2.762 ( 2.652 0.000 -1.344) 2.973 2.858 ( -0.309 -0.000 0.168) 0.351 2.967 ( -6.832 -0.000 -9.515) 11.714 3.503 ( 1.396 0.000 1.643) 2.156 3.793 ( -12.714 -0.000 0.456) 12.722 4.348 ( -0.197 -0.000 -1.274) 1.289 4.593 ( -4.430 -0.000 0.813) 4.504 4.796 ( 0.044 0.000 0.180) 0.186 5.220 ( 0.541 0.000 0.176) 0.569 5.717 ( 0.245 0.000 0.477) 0.536 8.371 ( -0.004 -0.000 -0.007) 0.008 8.376 ( -0.205 -0.000 0.527) 0.565 8.595 ( 0.401 0.000 -0.537) 0.670 9.329 ( -0.122 -0.000 -0.266) 0.293 10.059 ( 7.992 0.000 0.979) 8.052 10.062 ( -0.006 -0.000 -0.007) 0.010 10.225 ( -1.994 -0.000 -1.463) 2.473 10.351 ( 0.991 0.000 0.718) 1.224======================= Grid point 165 (72/140) =======================q-point: ( 0.11 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.351 ( 0.854 -10.827 0.995) 10.906 0.541 ( 6.647 -0.317 6.163) 9.070 0.594 ( 0.958 1.735 7.292) 7.556 0.750 ( -0.077 -0.153 -3.262) 3.266 0.775 ( 1.813 -3.017 4.130) 5.426 0.804 ( -1.049 -2.413 -3.043) 4.023 0.895 ( 2.641 -4.227 3.233) 5.941 1.020 ( 1.422 -0.871 -1.428) 2.196 1.123 ( -1.107 -1.322 0.005) 1.724 1.199 ( 1.427 1.261 1.081) 2.190 1.318 ( 1.455 -5.683 -2.611) 6.422 1.400 ( 1.112 -5.633 -5.052) 7.647 1.511 ( -1.193 -1.360 -0.433) 1.860 1.520 ( 1.012 -10.704 -3.541) 11.320 1.859 ( -1.849 0.540 1.748) 2.601 1.970 ( 0.732 -1.248 2.080) 2.533 2.218 ( -4.859 2.624 0.411) 5.538 2.317 ( -3.405 4.395 0.836) 5.622 2.418 ( -0.357 -7.064 1.811) 7.301 2.559 ( -2.398 0.902 2.061) 3.288 2.721 ( -3.377 0.999 -2.478) 4.306 2.790 ( 3.528 -6.404 5.861) 9.371 2.848 ( 1.658 0.486 0.358) 1.764 2.941 ( -3.318 -5.935 -7.442) 10.080 3.526 ( 2.664 0.275 0.585) 2.741 3.608 ( -12.201 5.014 7.837) 15.344 4.360 ( 4.050 1.221 -1.193) 4.395 4.578 ( 1.745 1.347 2.416) 3.270 4.837 ( 0.729 -3.820 -0.216) 3.895 5.218 ( 2.786 2.111 -0.020) 3.495 5.676 ( 0.016 4.763 0.733) 4.819 8.360 ( -1.029 0.339 0.180) 1.098 8.406 ( -0.380 -3.285 0.309) 3.321 8.603 ( 2.299 0.416 -0.592) 2.411 9.308 ( 0.297 2.410 -0.156) 2.433 10.022 ( 1.625 2.592 -0.455) 3.093 10.141 ( -2.982 -2.259 -2.198) 4.338 10.217 ( 5.551 1.393 -0.216) 5.727 10.333 ( -0.661 2.282 0.104) 2.378======================= Grid point 166 (73/140) =======================q-point: ( 0.22 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.511 ( 1.371 -5.564 1.459) 5.914 0.578 ( 3.208 -0.646 0.477) 3.306 0.664 ( 2.039 -2.374 6.771) 7.459 0.759 ( 1.436 -0.816 -0.990) 1.925 0.822 ( 0.022 -2.210 -3.681) 4.293 0.841 ( 2.467 -1.648 -1.162) 3.187 1.007 ( 3.231 -2.113 1.950) 4.325 1.053 ( 1.449 -2.561 0.348) 2.963 1.128 ( -1.280 -0.131 0.796) 1.512 1.233 ( 4.113 -1.406 1.513) 4.602 1.381 ( 4.344 -1.317 -4.331) 6.274 1.518 ( 0.771 -2.174 0.037) 2.308 1.547 ( -3.221 -8.846 -2.458) 9.729 1.752 ( 3.069 -12.918 -1.151) 13.328 1.828 ( -2.636 0.699 1.440) 3.084 2.018 ( -0.373 -0.221 7.398) 7.411 2.100 ( -5.700 0.088 -1.873) 6.000 2.266 ( -2.967 -1.138 -1.569) 3.544 2.474 ( -4.957 1.943 -0.700) 5.370 2.620 ( 1.107 -12.133 0.340) 12.188 2.655 ( -3.114 0.678 -0.168) 3.192 2.833 ( 0.671 1.239 -1.102) 1.788 2.930 ( 2.088 -1.886 3.446) 4.449 3.054 ( -1.234 -11.485 -2.132) 11.746 3.478 ( -4.869 3.165 7.536) 9.514 3.550 ( 2.681 0.786 0.433) 2.827 4.361 ( 3.350 2.533 -1.974) 4.640 4.581 ( 3.053 2.229 2.505) 4.534 4.922 ( 1.073 -4.831 -0.105) 4.950 5.206 ( 4.303 3.439 -0.230) 5.513 5.575 ( 0.316 7.343 0.438) 7.363 8.340 ( -1.737 0.416 0.236) 1.802 8.474 ( -0.541 -5.007 -0.185) 5.040 8.620 ( 3.016 0.552 -0.412) 3.094 9.258 ( 0.233 3.623 -0.049) 3.630 10.007 ( 1.946 1.209 -1.358) 2.663 10.098 ( -0.567 3.199 0.353) 3.268 10.245 ( 1.556 1.545 -1.357) 2.579 10.286 ( -1.622 0.178 -0.122) 1.636======================= Grid point 167 (74/140) =======================q-point: ( 0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.560 ( 1.395 -0.271 -0.290) 1.451 0.666 ( 2.535 -3.993 -0.531) 4.759 0.727 ( 0.457 -1.848 3.816) 4.264 0.797 ( 1.854 -1.611 0.442) 2.495 0.845 ( 1.067 -0.722 -0.699) 1.466 0.884 ( 0.704 -2.159 -3.236) 3.953 1.033 ( 1.480 0.495 -0.877) 1.790 1.117 ( 1.206 -0.406 1.716) 2.136 1.147 ( 2.930 -2.216 2.142) 4.253 1.300 ( 3.610 -0.955 0.197) 3.739 1.440 ( 3.243 -2.312 -2.333) 4.616 1.527 ( -1.332 0.076 0.593) 1.460 1.616 ( -4.161 -3.290 -2.353) 5.803 1.796 ( -1.713 0.648 2.296) 2.937 1.947 ( 1.353 0.282 5.963) 6.121 1.965 ( -0.310 -2.296 1.027) 2.534 2.153 ( -1.015 -4.505 -1.128) 4.754 2.282 ( -2.909 -5.891 -4.186) 7.790 2.427 ( -3.629 -3.573 0.224) 5.098 2.626 ( -2.075 -0.152 -0.039) 2.080 2.807 ( 0.216 -0.174 -0.299) 0.408 2.845 ( 0.762 -9.907 -0.178) 9.938 2.952 ( 1.168 1.480 0.644) 1.992 3.227 ( -1.183 -9.801 0.019) 9.872 3.439 ( -1.876 0.586 6.478) 6.770 3.556 ( 2.248 1.458 -0.252) 2.691 4.331 ( 2.311 3.206 -3.198) 5.084 4.581 ( 2.123 1.711 2.401) 3.633 5.009 ( 0.400 -4.480 0.093) 4.498 5.187 ( 4.559 3.873 -0.350) 5.992 5.453 ( 0.364 7.149 -0.117) 7.159 8.317 ( -1.432 0.408 0.197) 1.502 8.545 ( -1.604 -4.297 -1.494) 4.823 8.645 ( 3.287 -0.032 0.525) 3.329 9.200 ( 0.048 3.098 -0.009) 3.098 9.971 ( 0.027 4.036 -1.264) 4.229 10.081 ( 4.816 1.416 2.216) 5.487 10.194 ( -2.935 1.384 -1.458) 3.557 10.292 ( -1.098 -1.179 -0.865) 1.829======================= Grid point 168 (75/140) =======================q-point: ( 0.44 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.568 ( 0.696 0.152 -1.807) 1.942 0.718 ( 0.668 -0.339 -0.481) 0.890 0.773 ( 1.007 -1.896 1.754) 2.772 0.834 ( -0.236 -0.227 1.156) 1.202 0.858 ( 0.776 -0.274 -0.262) 0.863 0.908 ( 0.525 -1.408 -2.362) 2.800 1.028 ( 1.196 1.751 1.470) 2.581 1.150 ( 0.953 -1.702 -0.393) 1.989 1.205 ( 0.337 -1.177 2.106) 2.436 1.337 ( 3.250 0.288 -0.680) 3.333 1.486 ( 0.476 -0.201 -0.936) 1.069 1.507 ( -2.409 -0.908 -0.026) 2.575 1.589 ( -2.635 0.174 -1.158) 2.884 1.779 ( -0.483 0.823 3.438) 3.568 1.922 ( -1.184 0.187 3.442) 3.645 1.994 ( -0.292 3.832 2.694) 4.693 2.205 ( 3.433 -2.871 -1.654) 4.771 2.382 ( -1.584 -8.865 -3.805) 9.776 2.479 ( -1.314 -2.642 0.400) 2.978 2.614 ( -0.497 -0.076 -1.521) 1.602 2.799 ( -0.701 -0.115 0.706) 1.001 2.916 ( 1.106 3.796 0.144) 3.957 2.984 ( 0.464 -4.252 -0.072) 4.278 3.335 ( -1.612 -4.499 -0.320) 4.790 3.457 ( -1.132 -1.689 5.913) 6.253 3.545 ( 1.034 1.498 -0.499) 1.887 4.287 ( 1.572 2.651 -3.647) 4.775 4.583 ( 0.369 0.463 2.261) 2.337 5.077 ( -0.728 -3.562 0.160) 3.639 5.164 ( 3.406 3.416 -0.315) 4.835 5.359 ( -0.213 3.369 -0.395) 3.398 8.303 ( -0.314 0.307 0.162) 0.468 8.566 ( -2.009 -1.334 -2.004) 3.136 8.686 ( 2.296 -0.528 0.908) 2.525 9.163 ( 0.013 1.226 0.008) 1.226 9.907 ( -0.045 2.298 -0.245) 2.311 10.120 ( 1.064 -0.001 1.678) 1.987 10.155 ( 1.718 0.859 -0.630) 2.022 10.287 ( -2.389 -0.791 -1.494) 2.927======================= Grid point 169 (76/140) =======================q-point: (-0.44 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( -0.701 1.418 -1.549) 2.214 0.698 ( -1.111 2.147 0.257) 2.431 0.800 ( -1.491 2.220 2.930) 3.967 0.824 ( 1.749 -1.598 -0.129) 2.373 0.872 ( 0.272 -0.414 -1.157) 1.259 0.918 ( 0.043 0.461 -2.636) 2.676 1.003 ( -0.511 2.086 2.019) 2.948 1.166 ( -2.276 -0.198 0.618) 2.366 1.204 ( -2.464 -0.102 0.676) 2.557 1.353 ( 1.800 0.815 -0.702) 2.097 1.454 ( -2.340 1.537 -0.166) 2.805 1.502 ( -1.364 -0.485 -0.260) 1.471 1.586 ( 0.855 -0.817 -0.357) 1.235 1.801 ( 2.148 -1.270 3.801) 4.547 1.898 ( -1.653 5.359 0.916) 5.683 1.936 ( -0.467 -0.542 4.831) 4.883 2.279 ( 3.929 -0.644 -2.895) 4.923 2.442 ( 0.264 1.703 -6.867) 7.080 2.516 ( 0.449 -4.660 2.982) 5.550 2.588 ( 1.045 2.924 -3.478) 4.662 2.792 ( -2.006 0.461 1.159) 2.362 2.870 ( 2.464 3.105 1.813) 4.359 2.984 ( -0.210 4.358 -0.090) 4.364 3.359 ( -1.389 -0.816 -0.635) 1.731 3.489 ( -1.540 -1.179 5.815) 6.130 3.524 ( -0.495 1.123 -0.646) 1.387 4.258 ( 1.242 0.939 -2.829) 3.229 4.588 ( -1.627 -0.901 1.975) 2.713 5.104 ( 0.941 1.446 -0.717) 1.868 5.145 ( -1.429 -0.942 0.301) 1.738 5.346 ( -1.080 -2.736 0.050) 2.942 8.303 ( 1.118 0.209 0.187) 1.153 8.547 ( -1.345 0.851 -1.185) 1.985 8.697 ( 0.053 0.992 0.333) 1.047 9.162 ( 0.090 -1.133 0.018) 1.137 9.904 ( -0.527 -2.253 -0.160) 2.319 10.109 ( -1.629 -0.194 1.254) 2.065 10.188 ( 3.058 -0.068 -0.517) 3.102 10.267 ( -1.193 0.186 -1.232) 1.725======================= Grid point 170 (77/140) =======================q-point: (-0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.501 ( -1.970 2.361 1.232) 3.313 0.628 ( -2.188 4.516 1.230) 5.167 0.756 ( -1.118 2.884 3.747) 4.859 0.839 ( -5.155 3.772 -1.712) 6.613 0.865 ( -0.838 -0.844 -1.820) 2.173 0.873 ( 1.886 -0.341 -2.034) 2.794 0.981 ( -0.138 0.970 0.819) 1.277 1.110 ( -4.049 2.888 2.457) 5.547 1.185 ( -1.484 0.259 -0.714) 1.667 1.328 ( -2.054 2.234 1.472) 3.373 1.396 ( -2.958 1.407 -2.369) 4.043 1.512 ( 2.030 0.217 0.855) 2.214 1.605 ( 0.301 -0.582 -1.322) 1.476 1.810 ( 1.175 4.643 2.647) 5.472 1.876 ( 2.279 -2.186 4.415) 5.428 1.953 ( -1.662 -0.646 1.355) 2.239 2.226 ( 2.513 8.958 -2.455) 9.622 2.377 ( 0.936 3.733 -6.040) 7.162 2.532 ( 3.019 2.541 -5.595) 6.846 2.610 ( 2.861 -2.443 1.681) 4.121 2.759 ( -1.533 1.026 1.785) 2.567 2.843 ( -0.573 9.678 -0.165) 9.696 2.873 ( 2.150 2.583 2.856) 4.410 3.327 ( -1.753 2.404 -2.594) 3.947 3.497 ( -1.435 0.298 0.328) 1.502 3.525 ( -1.788 -3.296 6.048) 7.116 4.264 ( 1.319 -0.922 -1.105) 1.952 4.595 ( -3.433 -2.225 1.650) 4.411 5.049 ( 0.672 4.717 -1.260) 4.928 5.166 ( -3.935 -3.815 0.289) 5.488 5.419 ( -1.181 -6.527 1.139) 6.730 8.318 ( 2.332 0.140 0.253) 2.350 8.505 ( -0.192 2.953 -0.079) 2.960 8.665 ( -2.308 1.036 -0.283) 2.545 9.200 ( 0.139 -3.013 0.008) 3.016 9.947 ( -2.066 -3.337 -0.244) 3.932 10.126 ( 0.646 -2.153 2.053) 3.044 10.186 ( -2.779 -0.469 -3.159) 4.234 10.265 ( 3.108 1.192 0.416) 3.355======================= Grid point 171 (78/140) =======================q-point: (-0.22 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.459 ( -1.922 1.427 5.366) 5.876 0.515 ( -2.157 6.862 2.036) 7.475 0.643 ( -6.298 6.594 0.874) 9.160 0.753 ( -3.037 1.011 3.765) 4.942 0.842 ( -2.450 0.095 -1.761) 3.018 0.901 ( 1.428 -0.642 -4.243) 4.523 0.939 ( -1.075 4.714 3.430) 5.928 1.036 ( -1.740 2.281 0.629) 2.937 1.157 ( -0.735 1.692 0.108) 1.847 1.264 ( -3.293 1.896 1.854) 4.228 1.340 ( -2.003 1.046 -3.699) 4.334 1.500 ( 3.401 5.258 -0.937) 6.331 1.604 ( -1.971 -1.244 -2.625) 3.510 1.794 ( 0.340 8.158 0.113) 8.166 1.798 ( 1.161 5.465 0.749) 5.637 1.980 ( -0.344 -1.028 2.761) 2.966 2.150 ( 4.066 0.216 1.566) 4.362 2.306 ( 0.401 2.005 -5.339) 5.717 2.512 ( 3.188 2.707 -2.477) 4.861 2.602 ( -0.350 10.793 1.113) 10.856 2.692 ( 3.901 0.802 -1.131) 4.140 2.774 ( -0.410 -0.817 2.169) 2.354 2.854 ( 1.473 3.413 1.627) 4.058 3.230 ( -3.906 3.852 -5.431) 7.719 3.487 ( -1.226 -0.174 1.971) 2.328 3.624 ( -0.989 -8.081 4.022) 9.080 4.305 ( 0.962 -2.508 0.362) 2.710 4.607 ( -4.905 -3.658 1.340) 6.264 4.962 ( -1.015 4.757 -1.769) 5.176 5.189 ( -3.630 -3.312 0.167) 4.917 5.535 ( -0.041 -6.963 2.402) 7.366 8.343 ( 2.595 0.090 0.239) 2.607 8.449 ( 0.617 3.848 0.586) 3.941 8.626 ( -3.241 -0.014 -0.485) 3.277 9.259 ( -0.005 -3.636 -0.047) 3.636 9.957 ( -2.787 -1.036 0.427) 3.004 10.145 ( 0.187 2.028 -1.853) 2.754 10.204 ( -0.974 -5.404 0.679) 5.533 10.275 ( 2.421 0.938 0.240) 2.607======================= Grid point 172 (79/140) =======================q-point: (-0.11 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.347 ( -1.429 11.673 1.380) 11.841 0.424 ( -2.785 3.251 8.464) 9.485 0.548 ( -1.259 -0.648 5.641) 5.816 0.722 ( -2.658 2.570 9.455) 10.152 0.803 ( -2.513 0.441 -2.374) 3.485 0.848 ( 0.161 3.914 -1.095) 4.068 0.886 ( -2.538 1.309 -1.484) 3.218 1.004 ( 0.287 0.901 -0.275) 0.985 1.122 ( -0.002 1.544 0.606) 1.659 1.226 ( -2.638 -0.222 0.154) 2.652 1.295 ( 1.552 3.310 -2.308) 4.323 1.415 ( 0.902 5.208 -4.575) 6.991 1.534 ( -0.475 10.371 -3.950) 11.108 1.584 ( -3.305 1.457 -3.980) 5.375 1.837 ( 2.658 -0.426 2.873) 3.937 1.959 ( -1.075 1.521 1.995) 2.729 2.273 ( 0.443 -2.079 -1.749) 2.753 2.299 ( 3.090 -6.096 1.835) 7.077 2.410 ( -0.572 7.150 1.983) 7.442 2.521 ( 4.163 2.284 1.421) 4.956 2.718 ( 4.095 3.488 -1.485) 5.581 2.748 ( -0.323 3.486 2.296) 4.187 2.840 ( -0.417 -1.656 -0.176) 1.716 3.096 ( -6.269 3.089 -7.888) 10.539 3.490 ( -0.160 -0.072 2.366) 2.372 3.775 ( -2.154 -9.152 -0.769) 9.433 4.351 ( -1.486 -2.394 -0.459) 2.855 4.624 ( -7.048 -4.346 0.052) 8.280 4.857 ( -2.199 4.755 -1.754) 5.524 5.207 ( -1.872 -2.018 0.298) 2.769 5.657 ( 1.321 -5.197 2.130) 5.770 8.362 ( 1.128 -0.058 0.101) 1.134 8.400 ( 0.777 2.810 0.546) 2.966 8.601 ( -2.015 -0.367 -0.431) 2.093 9.311 ( -0.368 -2.526 -0.224) 2.562 9.962 ( 1.681 -1.127 2.356) 3.106 10.106 ( 2.119 3.610 -0.345) 4.200 10.244 ( -3.229 -1.729 -1.376) 3.913 10.311 ( 2.300 -1.914 1.255) 3.245======================= Grid point 174 (80/140) =======================q-point: ( 0.11 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.237 ( 2.321 0.000 0.886) 2.484 0.622 ( 4.567 0.000 7.233) 8.554 0.655 ( 0.719 0.000 0.303) 0.781 0.726 ( 1.603 0.000 -5.872) 6.087 0.752 ( 0.645 0.000 0.707) 0.957 0.840 ( 6.790 0.000 9.737) 11.871 0.897 ( 4.556 0.000 -0.197) 4.560 1.020 ( 1.245 0.000 -2.239) 2.561 1.117 ( -0.251 -0.000 -0.822) 0.859 1.189 ( -3.978 -0.000 1.144) 4.139 1.247 ( 3.671 0.000 2.083) 4.221 1.397 ( 4.784 0.000 -6.948) 8.436 1.413 ( 0.679 0.000 -3.240) 3.310 1.506 ( 1.498 0.000 0.862) 1.728 1.845 ( -2.947 -0.000 1.757) 3.431 1.970 ( 0.756 0.000 0.497) 0.905 2.194 ( -5.140 -0.000 1.228) 5.284 2.292 ( -12.549 -0.000 2.560) 12.807 2.352 ( 1.096 0.000 0.967) 1.462 2.552 ( -2.311 -0.000 2.670) 3.531 2.679 ( -3.370 -0.000 -2.868) 4.425 2.767 ( -1.612 -0.000 -0.615) 1.725 2.866 ( 1.107 0.000 -0.553) 1.237 2.882 ( 5.345 0.000 1.691) 5.606 3.556 ( -10.578 -0.000 9.947) 14.521 3.563 ( 3.915 0.000 -0.281) 3.925 4.409 ( 3.246 0.000 -0.692) 3.319 4.646 ( 6.303 0.000 3.677) 7.298 4.817 ( 1.910 0.000 0.079) 1.912 5.275 ( 4.925 0.000 -0.249) 4.931 5.717 ( -0.032 -0.000 0.159) 0.163 8.358 ( -1.266 -0.000 0.142) 1.274 8.371 ( 0.007 0.000 -0.003) 0.008 8.631 ( 2.737 0.000 -0.438) 2.771 9.334 ( 0.518 0.000 0.024) 0.518 10.062 ( -0.001 -0.000 0.002) 0.002 10.073 ( -1.379 -0.000 -3.769) 4.014 10.266 ( 1.714 0.000 -0.847) 1.911 10.357 ( 0.780 0.000 -0.832) 1.141======================= Grid point 175 (81/140) =======================q-point: ( 0.22 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.388 ( 2.400 -10.236 0.433) 10.522 0.631 ( 1.342 2.003 -1.362) 2.769 0.681 ( 1.941 -0.618 5.852) 6.197 0.755 ( 2.920 -1.796 -3.706) 5.048 0.787 ( 2.423 -1.273 0.989) 2.910 0.888 ( 5.064 2.512 1.353) 5.813 1.008 ( 4.773 -3.377 3.120) 6.627 1.029 ( 0.802 -1.316 -1.733) 2.319 1.110 ( 0.700 -0.820 0.301) 1.119 1.268 ( 0.252 -6.381 -0.724) 6.427 1.294 ( 0.990 -4.165 2.327) 4.873 1.428 ( 5.268 -0.499 -6.196) 8.148 1.530 ( 1.828 -10.903 -1.460) 11.151 1.534 ( 2.206 -1.800 0.759) 2.946 1.817 ( -2.344 0.572 1.188) 2.690 1.995 ( 0.032 -2.396 0.434) 2.435 2.091 ( -8.124 4.190 4.256) 10.083 2.198 ( -8.272 -1.064 1.524) 8.478 2.434 ( 0.863 -4.886 0.408) 4.978 2.500 ( -2.248 0.841 -1.495) 2.828 2.619 ( -4.018 -0.211 -2.075) 4.527 2.809 ( -3.047 -4.109 -1.346) 5.290 2.891 ( 1.052 -3.934 -3.069) 5.099 2.971 ( 6.476 -0.887 7.505) 9.952 3.491 ( -6.035 1.497 9.418) 11.285 3.597 ( 4.199 0.694 -0.951) 4.361 4.417 ( 1.729 1.445 -1.470) 2.690 4.691 ( 5.932 3.522 3.308) 7.651 4.871 ( 2.347 -3.189 0.370) 3.977 5.310 ( 6.379 2.437 -0.435) 6.842 5.680 ( 0.419 4.395 -0.294) 4.425 8.339 ( -0.710 0.702 -0.184) 1.015 8.399 ( -0.355 -3.009 -0.215) 3.038 8.653 ( 2.246 0.233 -0.172) 2.264 9.315 ( 0.199 2.610 0.044) 2.618 10.044 ( 2.382 1.045 -1.601) 3.054 10.084 ( -1.089 -1.468 -0.626) 1.932 10.257 ( -3.020 -0.286 -0.934) 3.174 10.331 ( 2.047 4.053 -1.172) 4.689======================= Grid point 176 (82/140) =======================q-point: ( 0.33 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( 2.098 -5.010 0.354) 5.443 0.627 ( 2.219 -1.204 -1.880) 3.148 0.725 ( 1.336 -0.883 3.922) 4.236 0.808 ( 3.624 -1.189 -0.246) 3.822 0.836 ( 2.330 -1.430 -0.166) 2.739 0.890 ( 2.655 1.813 -0.822) 3.319 1.032 ( 0.621 -0.963 -2.478) 2.730 1.116 ( 1.357 -2.524 3.060) 4.192 1.149 ( 1.922 -1.436 0.934) 2.575 1.323 ( 3.277 -0.271 0.823) 3.389 1.419 ( -0.395 -5.764 -0.366) 5.789 1.487 ( 2.420 -4.220 -4.478) 6.612 1.546 ( 1.544 1.250 0.930) 2.194 1.788 ( -1.370 -0.874 0.473) 1.693 1.815 ( 2.476 -15.372 -0.676) 15.584 1.966 ( -5.237 1.862 1.679) 5.806 2.063 ( -1.211 -3.258 4.000) 5.299 2.158 ( -6.210 -2.889 -0.071) 6.850 2.374 ( -3.018 1.939 -1.272) 3.806 2.592 ( -2.933 -0.785 -0.488) 3.075 2.656 ( 2.236 -11.802 -0.144) 12.013 2.806 ( -2.241 -0.211 -0.336) 2.275 2.962 ( 0.640 -3.368 -5.831) 6.764 3.097 ( 3.710 -5.071 8.001) 10.173 3.451 ( -3.435 1.039 7.786) 8.573 3.611 ( 3.524 1.793 -1.276) 4.155 4.388 ( 1.081 2.530 -3.220) 4.235 4.679 ( 4.229 4.605 2.406) 6.699 4.951 ( 1.365 -3.519 0.452) 3.802 5.316 ( 6.699 4.451 -0.581) 8.064 5.584 ( 0.737 7.296 -0.620) 7.359 8.323 ( 0.190 0.795 -0.290) 0.868 8.455 ( -0.749 -4.198 -0.718) 4.325 8.668 ( 1.237 -0.036 0.171) 1.249 9.259 ( -0.121 3.716 -0.047) 3.719 10.037 ( 2.369 2.948 -1.037) 3.922 10.105 ( 0.058 -1.316 0.939) 1.618 10.217 ( -2.627 0.526 -0.338) 2.700 10.275 ( 0.681 3.150 -1.729) 3.657======================= Grid point 177 (83/140) =======================q-point: ( 0.44 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( 1.792 0.880 -1.227) 2.343 0.700 ( 1.385 -3.135 -1.071) 3.591 0.770 ( 2.234 -1.167 2.334) 3.435 0.853 ( 2.161 1.239 0.987) 2.680 0.863 ( 1.305 -0.362 -0.324) 1.393 0.891 ( 1.746 -0.898 -1.561) 2.508 1.051 ( 0.802 -0.823 -1.822) 2.154 1.148 ( 0.001 0.122 2.499) 2.502 1.181 ( -1.668 -1.218 1.409) 2.500 1.352 ( 1.168 -0.542 -0.764) 1.498 1.474 ( 0.394 -1.375 0.491) 1.512 1.530 ( 0.989 2.449 1.436) 3.006 1.554 ( 2.175 -2.070 -2.920) 4.189 1.778 ( -2.243 -1.009 2.063) 3.211 1.916 ( -1.389 0.877 -0.648) 1.766 2.023 ( -1.198 -1.895 3.335) 4.018 2.154 ( 1.196 -8.961 1.749) 9.208 2.176 ( -4.341 -7.166 -3.264) 8.992 2.391 ( 0.157 -5.267 1.315) 5.431 2.581 ( -1.894 -1.322 -1.438) 2.722 2.785 ( -2.107 -0.139 0.788) 2.254 2.866 ( 1.300 -9.925 -0.097) 10.010 2.971 ( 1.030 0.922 -4.171) 4.394 3.241 ( 1.429 -5.720 4.195) 7.236 3.442 ( -2.232 -0.580 6.564) 6.958 3.597 ( 2.312 2.721 -1.224) 3.775 4.338 ( 0.992 2.983 -4.456) 5.453 4.645 ( 2.329 4.092 2.196) 5.195 5.014 ( -0.106 -3.024 0.306) 3.041 5.290 ( 5.789 5.591 -0.728) 8.081 5.458 ( 0.412 7.642 -0.574) 7.675 8.318 ( 1.517 0.646 -0.339) 1.683 8.509 ( -0.682 -3.131 -0.654) 3.271 8.681 ( -0.462 -0.979 0.087) 1.086 9.199 ( -0.135 3.016 -0.054) 3.020 9.979 ( 1.039 5.247 -0.206) 5.353 10.108 ( -1.699 -0.080 0.894) 1.922 10.222 ( 3.659 2.239 -0.287) 4.299 10.231 ( -2.698 -1.965 -1.280) 3.575======================= Grid point 178 (84/140) =======================q-point: (-0.44 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.574 ( 1.056 1.760 -1.650) 2.633 0.723 ( 0.284 0.999 -0.127) 1.046 0.819 ( 2.516 -0.875 0.624) 2.736 0.827 ( -1.109 1.126 0.938) 1.838 0.885 ( 1.717 0.410 -0.305) 1.792 0.920 ( 2.222 -0.344 -2.129) 3.097 1.037 ( -2.003 2.151 0.050) 2.940 1.141 ( -2.332 -0.850 0.186) 2.489 1.175 ( -1.907 0.278 1.860) 2.678 1.358 ( -0.863 -0.325 -1.256) 1.557 1.486 ( -0.233 1.735 2.301) 2.891 1.491 ( 0.347 1.752 0.802) 1.958 1.598 ( 3.525 -0.704 -1.097) 3.758 1.800 ( -0.207 -2.225 2.805) 3.586 1.881 ( -2.053 0.668 -1.737) 2.771 1.997 ( -2.867 2.327 6.450) 7.432 2.240 ( 0.308 -6.100 -5.184) 8.011 2.340 ( 0.784 -7.404 -1.679) 7.632 2.488 ( 1.746 -3.388 2.075) 4.340 2.594 ( -0.364 -1.866 -2.253) 2.948 2.773 ( -2.452 -0.411 1.927) 3.146 2.937 ( 1.235 2.259 -2.587) 3.649 2.993 ( 0.425 -3.387 -0.278) 3.425 3.327 ( 0.208 -2.260 2.263) 3.205 3.468 ( -1.508 -1.795 5.531) 6.008 3.561 ( 0.967 3.015 -0.906) 3.293 4.287 ( 1.092 2.269 -4.226) 4.919 4.606 ( 0.320 2.878 2.126) 3.593 5.051 ( -1.481 -2.357 0.044) 2.784 5.240 ( 3.977 5.890 -1.102) 7.192 5.351 ( -0.373 4.110 0.089) 4.128 8.329 ( 2.800 0.470 -0.383) 2.865 8.538 ( -0.044 -0.796 0.343) 0.868 8.685 ( -2.499 -0.952 -0.595) 2.739 9.162 ( -0.045 1.086 -0.042) 1.088 9.910 ( 0.330 2.950 0.047) 2.968 10.096 ( -1.622 0.145 1.278) 2.070 10.185 ( -1.909 0.053 -2.796) 3.386 10.276 ( 3.146 -0.505 1.000) 3.339======================= Grid point 179 (85/140) =======================q-point: (-0.33 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.537 ( 0.299 2.784 -0.454) 2.837 0.683 ( -0.725 3.443 1.313) 3.755 0.795 ( -1.570 1.392 1.899) 2.830 0.848 ( 0.438 0.619 -0.967) 1.229 0.872 ( -2.126 3.332 -1.962) 4.413 0.903 ( 2.672 2.144 -1.580) 3.772 0.986 ( -0.513 0.157 -0.120) 0.550 1.128 ( -1.975 0.939 0.905) 2.367 1.154 ( -1.979 -0.406 0.182) 2.028 1.332 ( -2.736 0.977 -1.172) 3.132 1.418 ( -1.105 4.333 1.274) 4.649 1.518 ( 2.116 -1.410 3.050) 3.971 1.629 ( 2.266 0.716 -0.366) 2.405 1.846 ( -1.742 0.631 1.080) 2.144 1.864 ( 0.420 -3.822 1.890) 4.285 1.954 ( -1.548 2.265 4.673) 5.419 2.313 ( 1.718 -2.011 -3.866) 4.684 2.377 ( -1.092 0.342 -6.773) 6.869 2.567 ( 0.921 -0.175 0.024) 0.938 2.603 ( 3.433 -1.520 -0.424) 3.778 2.753 ( -2.761 0.585 1.644) 3.266 2.921 ( 1.617 0.827 0.317) 1.843 2.980 ( -0.146 4.950 -0.201) 4.956 3.350 ( 0.449 0.617 0.949) 1.218 3.485 ( -2.640 -0.326 4.823) 5.508 3.515 ( -0.013 2.264 -0.435) 2.305 4.263 ( 1.156 0.322 -2.967) 3.200 4.571 ( -1.290 1.389 1.941) 2.713 5.068 ( -2.060 -1.821 -0.730) 2.845 5.161 ( 1.131 5.669 -1.171) 5.898 5.337 ( -0.121 -2.389 1.243) 2.696 8.352 ( 3.380 0.426 -0.425) 3.434 8.541 ( 0.256 0.842 1.298) 1.568 8.653 ( -3.206 0.923 -0.940) 3.466 9.163 ( 0.001 -1.247 -0.069) 1.249 9.897 ( -0.086 -1.064 0.306) 1.111 10.073 ( -4.075 -1.040 -1.036) 4.331 10.180 ( 1.828 0.050 -0.062) 1.830 10.305 ( 1.913 0.341 0.317) 1.969======================= Grid point 180 (86/140) =======================q-point: (-0.22 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.496 ( 0.270 2.424 2.550) 3.529 0.609 ( -0.585 5.136 2.572) 5.774 0.706 ( -5.482 6.721 0.995) 8.730 0.772 ( 0.070 1.924 1.395) 2.377 0.837 ( -0.287 1.169 -1.159) 1.671 0.909 ( 2.599 0.928 -4.505) 5.283 0.985 ( 0.358 0.850 0.114) 0.929 1.077 ( -1.283 3.161 1.740) 3.829 1.153 ( -1.438 -1.244 -0.309) 1.926 1.269 ( -3.601 2.275 -0.321) 4.271 1.346 ( 0.223 3.207 -0.442) 3.245 1.574 ( 0.854 -0.584 0.091) 1.038 1.612 ( 2.340 2.997 1.979) 4.287 1.835 ( 0.123 0.137 1.179) 1.193 1.898 ( -2.784 3.377 -0.079) 4.377 1.946 ( 0.189 -3.067 5.374) 6.190 2.269 ( 2.244 7.446 -2.365) 8.128 2.323 ( -0.841 1.722 -5.752) 6.063 2.538 ( 0.174 0.275 -3.833) 3.847 2.698 ( 4.256 -2.146 1.173) 4.909 2.721 ( -2.820 -0.083 1.038) 3.006 2.832 ( -0.198 10.836 -0.210) 10.840 2.930 ( 1.347 1.528 1.847) 2.750 3.292 ( -0.261 6.672 -2.355) 7.080 3.478 ( -1.927 -1.476 1.773) 3.006 3.509 ( -2.483 -2.226 4.339) 5.472 4.278 ( 1.116 -1.426 -1.890) 2.617 4.550 ( -2.001 -0.125 1.780) 2.681 5.030 ( -1.051 4.576 -2.352) 5.251 5.118 ( -0.992 -1.620 0.298) 1.923 5.424 ( 0.319 -6.692 1.957) 6.980 8.372 ( 2.127 0.561 -0.409) 2.238 8.523 ( 0.679 2.582 1.657) 3.142 8.599 ( -2.232 1.198 -0.948) 2.705 9.200 ( -0.051 -3.025 -0.151) 3.029 9.927 ( 0.163 -1.566 1.186) 1.971 10.067 ( -3.722 -4.209 -2.495) 6.148 10.207 ( 3.359 0.528 1.445) 3.695 10.305 ( 0.364 0.789 -0.342) 0.934======================= Grid point 181 (87/140) =======================q-point: (-0.11 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.478 ( 0.294 3.001 4.411) 5.343 0.521 ( 1.312 5.787 1.268) 6.068 0.581 ( -0.658 4.274 7.130) 8.339 0.755 ( 0.191 0.623 0.191) 0.679 0.807 ( 0.107 2.092 0.048) 2.096 0.875 ( -0.637 2.116 -6.021) 6.413 0.950 ( -0.027 4.264 3.863) 5.753 1.032 ( 0.893 1.841 -0.382) 2.081 1.164 ( 1.151 0.188 0.953) 1.506 1.189 ( -4.064 1.844 0.208) 4.468 1.325 ( 3.233 0.797 -3.658) 4.946 1.527 ( -0.908 3.770 -1.354) 4.108 1.585 ( 1.228 5.455 -0.969) 5.675 1.738 ( -0.963 11.749 -3.428) 12.277 1.851 ( 0.137 -0.493 1.634) 1.712 1.984 ( -1.231 0.867 5.677) 5.873 2.199 ( -1.530 -1.508 -1.393) 2.560 2.286 ( 0.835 0.499 -1.252) 1.585 2.533 ( -0.565 0.726 -0.190) 0.939 2.607 ( 0.206 10.989 0.437) 10.999 2.714 ( -2.087 -1.881 -0.861) 2.938 2.793 ( 3.093 -1.700 -0.380) 3.550 2.892 ( 0.390 5.148 2.827) 5.886 3.126 ( -2.986 8.693 -5.213) 10.566 3.498 ( 1.068 -0.584 1.064) 1.616 3.567 ( -7.095 -7.425 5.930) 11.859 4.313 ( 1.611 -1.714 -1.657) 2.877 4.550 ( -1.382 -1.211 1.826) 2.591 4.924 ( -0.862 5.482 -1.516) 5.753 5.158 ( 0.441 -2.919 0.114) 2.955 5.560 ( 0.535 -7.567 1.776) 7.791 8.369 ( -0.428 0.395 -0.096) 0.590 8.472 ( 0.464 4.392 0.964) 4.520 8.582 ( 0.391 -0.471 -0.741) 0.961 9.256 ( -0.022 -3.501 -0.217) 3.507 9.963 ( 2.075 -1.396 1.245) 2.794 10.124 ( -1.089 -5.569 -1.379) 5.839 10.211 ( 1.483 2.826 -0.136) 3.194 10.304 ( 0.147 -0.975 0.202) 1.007======================= Grid point 184 (88/140) =======================q-point: ( 0.22 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.306 ( 4.094 0.000 0.863) 4.184 0.642 ( 0.244 0.000 -2.795) 2.806 0.714 ( 2.250 0.000 3.931) 4.529 0.769 ( 4.934 0.000 -1.831) 5.263 0.809 ( 2.728 0.000 1.607) 3.166 0.997 ( 4.913 0.000 0.882) 4.991 1.015 ( 0.079 0.000 -2.495) 2.496 1.042 ( 6.032 0.000 3.249) 6.851 1.102 ( -4.948 -0.000 0.330) 4.959 1.121 ( 1.646 0.000 0.082) 1.648 1.345 ( 3.455 0.000 1.884) 3.935 1.415 ( 0.906 0.000 -0.977) 1.332 1.474 ( 7.119 0.000 -4.763) 8.566 1.565 ( 2.967 0.000 0.808) 3.075 1.811 ( -0.521 -0.000 -0.619) 0.810 1.958 ( -3.428 -0.000 -0.762) 3.511 2.077 ( -6.389 -0.000 3.740) 7.403 2.094 ( -8.905 -0.000 5.643) 10.542 2.408 ( 3.743 0.000 0.022) 3.743 2.516 ( -2.568 -0.000 1.220) 2.843 2.550 ( -3.032 -0.000 -9.467) 9.941 2.722 ( -2.353 -0.000 0.750) 2.469 2.865 ( -0.624 -0.000 -2.124) 2.213 3.059 ( 6.676 0.000 8.358) 10.698 3.477 ( -5.259 -0.000 9.570) 10.920 3.643 ( 4.641 0.000 -1.839) 4.992 4.433 ( 0.406 0.000 -2.191) 2.228 4.798 ( 4.795 0.000 3.762) 6.094 4.867 ( 2.917 0.000 -0.051) 2.917 5.401 ( 7.620 0.000 -0.633) 7.646 5.722 ( 0.837 0.000 -0.808) 1.163 8.341 ( 0.066 0.000 -0.881) 0.883 8.371 ( 0.011 0.000 0.011) 0.015 8.671 ( 0.944 0.000 0.055) 0.945 9.339 ( -0.174 -0.000 0.014) 0.174 10.062 ( 0.006 0.000 0.011) 0.013 10.081 ( 4.160 0.000 -1.068) 4.294 10.212 ( -4.620 -0.000 -1.085) 4.746 10.376 ( 0.741 0.000 -1.661) 1.819======================= Grid point 185 (89/140) =======================q-point: ( 0.33 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.447 ( 3.087 -8.800 0.418) 9.335 0.640 ( 1.548 0.176 -2.286) 2.766 0.751 ( 2.558 -0.011 3.864) 4.634 0.826 ( 4.963 -1.104 -0.930) 5.169 0.844 ( 2.019 -0.677 0.450) 2.176 0.975 ( 2.059 4.512 0.508) 4.986 1.010 ( -0.213 -0.679 -2.319) 2.426 1.074 ( -0.039 -3.561 1.781) 3.982 1.134 ( -1.431 -1.695 0.172) 2.225 1.246 ( 2.218 -9.447 0.031) 9.704 1.365 ( 1.755 0.836 1.136) 2.252 1.508 ( 4.073 -2.133 -1.125) 4.733 1.554 ( 0.939 -9.550 -0.038) 9.596 1.605 ( 6.371 -0.709 -1.339) 6.549 1.778 ( -2.493 1.619 -2.820) 4.098 1.918 ( -6.318 -1.463 -1.192) 6.594 2.033 ( -2.761 0.111 6.484) 7.048 2.074 ( -3.938 -1.771 4.942) 6.562 2.410 ( -0.771 4.727 -3.627) 6.008 2.514 ( 2.822 -7.275 -1.030) 7.871 2.540 ( -2.647 -1.691 -1.819) 3.629 2.750 ( -2.072 -3.552 -0.242) 4.120 2.865 ( -1.056 -2.968 -4.193) 5.245 3.150 ( 5.452 -0.167 9.122) 10.629 3.454 ( -4.179 0.627 8.631) 9.610 3.670 ( 4.044 1.253 -2.288) 4.813 4.413 ( -0.139 1.237 -3.874) 4.069 4.804 ( 3.330 4.029 2.231) 5.684 4.921 ( 2.168 -2.250 0.341) 3.143 5.451 ( 7.739 2.946 -0.814) 8.320 5.692 ( 1.069 4.394 -0.888) 4.608 8.340 ( 1.384 0.492 -1.021) 1.789 8.393 ( -0.051 -2.445 -0.064) 2.446 8.672 ( -0.651 0.096 0.152) 0.676 9.313 ( -0.298 2.615 -0.072) 2.633 10.075 ( 0.141 -1.151 0.046) 1.160 10.114 ( 3.142 1.516 -0.042) 3.489 10.170 ( -2.629 -0.757 -0.235) 2.746 10.342 ( -0.234 3.180 -1.776) 3.650======================= Grid point 186 (90/140) =======================q-point: ( 0.44 0.22 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.594 ( 2.089 -3.879 -0.556) 4.441 0.655 ( 1.799 -1.709 -1.061) 2.699 0.793 ( 3.008 -0.379 2.746) 4.091 0.866 ( 0.418 -0.079 -0.336) 0.542 0.890 ( 4.000 -1.146 -0.533) 4.195 0.928 ( 1.475 3.094 0.529) 3.468 1.020 ( -0.420 -1.661 -2.082) 2.696 1.112 ( -4.564 -1.769 1.006) 4.997 1.163 ( 1.051 -2.157 1.336) 2.746 1.358 ( 0.299 0.950 -0.426) 1.084 1.406 ( -0.201 -7.306 0.535) 7.328 1.549 ( 2.660 -0.013 1.743) 3.180 1.624 ( 6.325 2.314 -2.049) 7.040 1.725 ( -3.282 -0.833 -1.227) 3.602 1.853 ( 0.230 -14.754 -0.324) 14.759 1.884 ( -3.782 -5.558 -4.411) 8.041 2.024 ( -2.218 1.078 5.816) 6.317 2.100 ( -2.328 -2.542 4.490) 5.660 2.363 ( 2.287 -0.217 -0.793) 2.431 2.531 ( -2.434 -1.474 -1.758) 3.345 2.698 ( 1.947 -10.715 -0.362) 10.897 2.761 ( -2.102 -0.755 0.578) 2.308 2.912 ( -0.841 -4.774 -7.059) 8.563 3.237 ( 3.894 -1.207 8.857) 9.750 3.435 ( -3.245 0.250 7.327) 8.017 3.664 ( 2.848 2.601 -2.266) 4.473 4.368 ( 0.003 1.969 -5.235) 5.593 4.760 ( 2.353 5.217 1.767) 5.990 4.975 ( 0.870 -2.179 0.163) 2.352 5.447 ( 6.592 5.593 -1.051) 8.709 5.595 ( 0.606 7.578 -0.594) 7.626 8.348 ( 2.729 0.584 -0.951) 2.948 8.448 ( 0.413 -3.740 0.234) 3.770 8.655 ( -2.670 -0.098 -0.159) 2.676 9.255 ( -0.174 3.635 -0.070) 3.639 10.069 ( -1.087 3.470 -0.638) 3.692 10.101 ( 1.238 -0.715 1.148) 1.833 10.176 ( -1.438 0.305 -0.566) 1.575 10.286 ( 1.529 2.028 -0.766) 2.653======================= Grid point 187 (91/140) =======================q-point: ( 0.56 0.22 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.613 ( 1.614 1.418 -1.315) 2.519 0.720 ( 1.090 -2.292 -0.071) 2.539 0.834 ( 1.354 0.118 0.493) 1.446 0.843 ( -0.144 1.130 0.456) 1.227 0.905 ( 0.730 0.636 -0.406) 1.050 0.945 ( 4.143 -0.049 -0.315) 4.155 1.029 ( -1.435 -0.222 -1.466) 2.063 1.079 ( -5.357 -1.125 0.467) 5.494 1.203 ( 1.931 0.435 1.814) 2.685 1.336 ( -1.857 0.311 -0.774) 2.036 1.486 ( 0.068 -2.288 2.737) 3.568 1.563 ( 0.750 2.339 2.931) 3.825 1.629 ( 4.465 1.259 -3.216) 5.645 1.742 ( -1.015 -3.126 -0.213) 3.294 1.854 ( -4.627 -2.406 -3.067) 6.050 1.988 ( -1.983 0.803 2.407) 3.220 2.110 ( -1.347 -6.269 0.760) 6.457 2.204 ( 1.948 -11.751 1.882) 12.059 2.442 ( 3.451 -4.471 0.921) 5.722 2.536 ( -1.426 -2.346 -1.908) 3.343 2.748 ( -2.268 -0.384 1.654) 2.833 2.887 ( 0.797 -9.094 -0.340) 9.135 2.936 ( -0.455 -1.453 -6.807) 6.975 3.319 ( 2.079 -1.449 6.689) 7.153 3.439 ( -2.187 -1.504 6.098) 6.650 3.627 ( 1.569 3.521 -1.828) 4.266 4.317 ( 0.421 2.116 -5.349) 5.768 4.693 ( 1.054 5.300 1.880) 5.721 5.011 ( -0.235 -1.624 -0.048) 1.642 5.389 ( 4.392 7.133 -1.519) 8.514 5.459 ( -0.159 8.090 0.077) 8.092 8.368 ( 3.763 0.502 -0.832) 3.886 8.518 ( 1.224 -2.809 1.174) 3.282 8.625 ( -4.502 -1.079 -0.928) 4.721 9.196 ( -0.074 2.935 -0.054) 2.937 9.988 ( -0.114 4.952 -0.149) 4.955 10.094 ( -2.615 2.380 -0.439) 3.564 10.157 ( 0.675 -1.594 -0.202) 1.743 10.300 ( 2.074 -0.213 0.327) 2.110======================= Grid point 188 (92/140) =======================q-point: (-0.33 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.591 ( 1.598 2.432 -1.231) 3.160 0.732 ( 0.220 1.563 0.541) 1.669 0.795 ( -2.459 1.391 1.265) 3.096 0.860 ( 1.000 0.221 -1.141) 1.533 0.898 ( 0.393 1.321 -1.230) 1.847 0.963 ( 0.685 2.506 -0.577) 2.661 0.990 ( 1.111 0.530 -1.064) 1.627 1.072 ( -3.232 -2.408 -0.379) 4.048 1.189 ( 0.813 3.127 1.467) 3.549 1.310 ( -2.798 0.019 -0.324) 2.817 1.505 ( 0.379 5.181 1.669) 5.457 1.537 ( 2.777 -1.281 4.983) 5.847 1.650 ( 1.758 -0.214 -1.730) 2.476 1.788 ( -1.418 -3.696 -0.269) 3.968 1.835 ( -3.597 -0.796 1.445) 3.957 1.973 ( -1.534 0.050 1.881) 2.428 2.195 ( -0.584 -6.160 -3.531) 7.125 2.368 ( 2.141 -3.307 -0.291) 3.950 2.546 ( 0.885 -3.547 -0.574) 3.701 2.582 ( 2.053 -3.947 -1.041) 4.569 2.739 ( -2.285 -0.130 2.851) 3.656 2.923 ( -0.142 -0.464 -4.659) 4.684 2.997 ( 0.104 -2.920 -0.156) 2.926 3.365 ( 0.683 -0.311 5.491) 5.542 3.470 ( -1.572 -1.277 3.970) 4.457 3.570 ( 0.569 3.796 -1.289) 4.049 4.276 ( 0.801 1.326 -4.396) 4.661 4.621 ( -0.248 4.313 2.003) 4.762 5.027 ( -0.657 -1.125 -0.387) 1.359 5.281 ( 0.635 7.727 -1.763) 7.951 5.356 ( 0.734 3.886 0.836) 4.042 8.395 ( 3.675 0.701 -0.720) 3.810 8.542 ( -2.199 -0.039 1.235) 2.523 8.622 ( -0.781 -2.016 -0.641) 2.255 9.161 ( -0.028 1.040 -0.065) 1.043 9.915 ( 0.092 3.041 0.040) 3.042 10.026 ( -3.655 0.827 -1.829) 4.170 10.204 ( 3.389 -0.762 1.566) 3.810 10.315 ( -0.006 -0.206 -0.293) 0.358======================= Grid point 189 (93/140) =======================q-point: (-0.22 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.558 ( 1.619 2.925 -0.149) 3.347 0.689 ( 0.104 3.572 0.749) 3.651 0.744 ( -2.751 2.639 2.493) 4.555 0.831 ( -0.402 4.382 -0.462) 4.424 0.851 ( 0.223 0.761 -1.332) 1.551 0.943 ( 1.567 1.134 -2.352) 3.045 1.000 ( 2.182 0.520 -2.477) 3.342 1.084 ( -2.015 -2.116 0.248) 2.932 1.140 ( -0.481 3.081 1.843) 3.622 1.274 ( -1.659 1.361 0.006) 2.146 1.430 ( 1.394 4.860 0.731) 5.109 1.593 ( 1.394 0.947 1.345) 2.156 1.659 ( 1.585 -0.516 2.707) 3.179 1.821 ( -1.358 -1.301 0.410) 1.925 1.845 ( -3.650 -3.825 3.533) 6.359 1.963 ( 0.205 0.889 2.185) 2.368 2.258 ( -1.830 -3.833 -6.952) 8.147 2.382 ( 2.634 3.015 -1.130) 4.160 2.546 ( -1.153 2.004 -2.205) 3.195 2.671 ( 0.343 -2.794 0.309) 2.832 2.728 ( 1.029 0.104 1.232) 1.609 2.933 ( -0.190 -1.575 -0.718) 1.741 2.977 ( -0.061 5.240 -0.036) 5.241 3.384 ( 1.179 1.914 3.571) 4.220 3.446 ( -3.631 2.123 2.737) 5.018 3.518 ( 0.450 1.799 -0.204) 1.865 4.266 ( 1.325 -0.470 -3.225) 3.518 4.564 ( -0.805 2.443 2.018) 3.270 5.039 ( 0.024 -0.826 -1.028) 1.319 5.157 ( -0.506 5.797 -0.837) 5.879 5.352 ( 0.509 -2.327 1.066) 2.609 8.397 ( -0.200 1.159 -0.550) 1.298 8.533 ( -0.079 -0.621 0.904) 1.099 8.630 ( 0.945 1.635 -0.288) 1.911 9.162 ( -0.026 -1.232 -0.106) 1.236 9.906 ( 0.604 -1.685 0.720) 1.930 9.988 ( -1.956 -0.376 -1.884) 2.741 10.252 ( 3.494 0.008 1.659) 3.868 10.304 ( -1.882 0.160 -0.982) 2.129======================= Grid point 190 (94/140) =======================q-point: (-0.11 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.531 ( 1.305 1.933 1.444) 2.744 0.625 ( 1.143 4.837 -0.024) 4.970 0.683 ( 0.417 3.995 5.764) 7.025 0.776 ( 0.485 2.120 -0.750) 2.301 0.836 ( 0.575 0.890 -0.904) 1.393 0.903 ( 0.488 3.240 -5.248) 6.187 1.003 ( 1.611 0.673 -0.224) 1.761 1.084 ( 0.852 2.653 1.692) 3.260 1.118 ( -1.743 -1.852 1.171) 2.800 1.241 ( 1.310 2.356 0.299) 2.713 1.384 ( 3.444 3.078 -1.526) 4.865 1.552 ( -1.285 2.194 -0.356) 2.568 1.680 ( 0.102 2.676 0.479) 2.720 1.827 ( -1.849 -0.788 1.729) 2.651 1.860 ( 0.854 2.233 1.056) 2.614 1.977 ( -1.475 -1.852 6.703) 7.109 2.211 ( -2.441 4.223 -5.534) 7.376 2.329 ( 0.859 4.175 -2.610) 4.998 2.494 ( -2.298 0.144 -1.833) 2.943 2.668 ( -2.829 -0.433 1.387) 3.180 2.777 ( 2.950 -0.009 -0.512) 2.994 2.834 ( 0.558 9.680 -0.335) 9.702 2.944 ( -0.602 0.485 1.303) 1.515 3.265 ( -1.555 10.325 -1.383) 10.533 3.441 ( -2.977 -2.648 5.672) 6.932 3.518 ( 1.159 -0.329 1.008) 1.571 4.297 ( 2.515 -2.034 -2.590) 4.143 4.543 ( 0.077 0.173 2.131) 2.139 5.005 ( 0.072 4.787 -1.221) 4.941 5.126 ( 1.674 -1.914 0.044) 2.544 5.443 ( 0.388 -6.931 1.028) 7.018 8.363 ( -2.526 0.539 -0.024) 2.583 8.549 ( 1.706 2.551 1.475) 3.406 8.594 ( 1.217 1.352 -1.608) 2.428 9.199 ( 0.063 -3.018 -0.111) 3.021 9.973 ( 3.279 -0.941 1.125) 3.592 10.000 ( -1.377 -5.808 -1.319) 6.112 10.263 ( -0.808 1.369 -1.173) 1.976 10.286 ( 0.236 -0.276 0.609) 0.709======================= Grid point 194 (95/140) =======================q-point: ( 0.33 0.33 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.396 ( 3.818 0.000 1.040) 3.957 0.648 ( 1.701 0.000 -1.832) 2.500 0.792 ( 2.694 0.000 4.044) 4.859 0.854 ( 1.209 0.000 -0.212) 1.228 0.865 ( 5.366 0.000 -1.257) 5.511 0.989 ( -0.894 -0.000 -2.321) 2.488 1.006 ( -3.677 -0.000 -0.454) 3.705 1.047 ( -3.609 -0.000 1.017) 3.749 1.097 ( 3.673 0.000 1.201) 3.865 1.208 ( 3.157 0.000 0.860) 3.272 1.388 ( 0.693 0.000 -0.063) 0.695 1.430 ( 0.830 0.000 0.154) 0.845 1.553 ( 1.907 0.000 0.925) 2.120 1.682 ( 9.010 0.000 -2.437) 9.334 1.769 ( -2.028 -0.000 -3.929) 4.421 1.811 ( -8.839 -0.000 -0.182) 8.841 2.034 ( -1.886 -0.000 4.332) 4.724 2.064 ( 0.377 0.000 8.460) 8.468 2.447 ( -0.705 -0.000 -9.803) 9.828 2.470 ( -2.474 -0.000 0.152) 2.479 2.486 ( 3.601 0.000 -0.681) 3.665 2.698 ( -0.588 -0.000 1.019) 1.177 2.815 ( -2.383 -0.000 -3.103) 3.913 3.230 ( 4.445 0.000 9.141) 10.165 3.447 ( -4.065 -0.000 8.632) 9.542 3.711 ( 3.551 0.000 -2.973) 4.631 4.404 ( -0.629 -0.000 -5.134) 5.172 4.873 ( 1.307 0.000 1.941) 2.340 4.923 ( 2.572 0.000 -0.151) 2.576 5.551 ( 7.524 0.000 -1.100) 7.604 5.738 ( 0.975 0.000 -0.701) 1.201 8.361 ( 2.815 0.000 -1.084) 3.016 8.372 ( 0.015 0.000 0.033) 0.037 8.658 ( -2.379 -0.000 0.100) 2.381 9.333 ( -0.239 -0.000 -0.055) 0.245 10.063 ( 0.008 0.000 0.014) 0.016 10.108 ( -3.621 -0.000 -0.675) 3.684 10.201 ( 5.802 0.000 1.748) 6.060 10.351 ( -1.842 -0.000 -2.239) 2.899======================= Grid point 195 (96/140) =======================q-point: ( 0.44 0.33 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.510 ( 3.097 -7.230 0.330) 7.872 0.658 ( 0.564 -0.199 -0.797) 0.997 0.825 ( 1.639 -0.020 3.275) 3.662 0.865 ( 0.229 -0.237 -0.467) 0.571 0.914 ( 3.783 -0.271 -0.825) 3.881 0.970 ( -1.051 0.535 -1.102) 1.614 0.989 ( -0.648 -0.691 -0.484) 1.064 1.032 ( -3.277 -2.371 0.489) 4.074 1.146 ( 2.228 -1.384 0.997) 2.806 1.278 ( -0.288 -5.911 0.030) 5.918 1.380 ( 0.069 1.219 -0.471) 1.309 1.554 ( 0.935 -9.646 0.707) 9.717 1.578 ( 0.658 -3.876 0.638) 3.983 1.700 ( -2.122 1.738 -0.468) 2.782 1.752 ( 7.533 0.991 -2.591) 8.028 1.766 ( -5.783 -1.723 -2.530) 6.543 2.052 ( -1.238 -1.992 5.600) 6.071 2.084 ( 0.830 2.236 5.897) 6.361 2.390 ( 1.535 1.302 -4.934) 5.329 2.469 ( -2.390 -2.036 -2.461) 3.990 2.569 ( 2.190 -6.205 -0.160) 6.582 2.727 ( -0.413 -1.913 0.302) 1.980 2.801 ( -2.125 -3.276 -4.711) 6.119 3.297 ( 3.148 0.024 9.054) 9.586 3.433 ( -3.453 0.414 7.972) 8.698 3.718 ( 2.391 1.528 -3.192) 4.271 4.371 ( -0.458 0.888 -6.057) 6.139 4.856 ( 0.931 3.307 1.371) 3.699 4.958 ( 1.343 -1.256 -0.068) 1.840 5.585 ( 5.937 3.466 -1.460) 7.028 5.704 ( 0.326 4.585 -0.226) 4.602 8.379 ( 2.004 -0.207 -0.613) 2.106 8.405 ( 2.383 -1.988 -0.038) 3.104 8.624 ( -4.085 0.302 -0.203) 4.101 9.308 ( -0.149 2.566 -0.064) 2.572 10.068 ( -2.285 0.370 -0.698) 2.417 10.085 ( 0.407 -1.574 0.823) 1.822 10.236 ( 2.589 3.098 0.811) 4.118 10.312 ( -0.412 0.890 -1.421) 1.726======================= Grid point 196 (97/140) =======================q-point: ( 0.56 0.33 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( 1.034 -1.567 -0.548) 1.956 0.681 ( 0.848 -3.283 0.276) 3.402 0.849 ( 0.111 0.228 1.175) 1.202 0.856 ( 0.030 0.269 0.018) 0.272 0.920 ( -0.415 0.676 0.168) 0.811 0.978 ( 2.028 -0.676 -0.098) 2.140 1.000 ( 0.058 -1.021 -0.924) 1.378 1.031 ( -2.083 -0.082 0.222) 2.096 1.204 ( 1.652 -2.646 1.094) 3.305 1.342 ( -1.225 2.032 -0.458) 2.416 1.391 ( -1.413 -7.811 0.491) 7.953 1.579 ( -0.936 -0.765 0.312) 1.248 1.672 ( 0.489 1.391 0.477) 1.549 1.732 ( -4.877 -2.713 -2.513) 6.121 1.748 ( 4.409 0.872 -2.012) 4.924 1.887 ( 1.362 -16.838 -1.112) 16.929 2.038 ( -0.459 3.952 2.317) 4.604 2.111 ( 0.264 -3.113 6.945) 7.615 2.422 ( 3.589 -2.585 -1.806) 4.778 2.476 ( -1.651 -2.299 -1.487) 3.197 2.720 ( 0.256 -6.474 -0.127) 6.481 2.732 ( -1.096 -3.672 -0.174) 3.836 2.849 ( -0.867 -4.795 -5.922) 7.669 3.354 ( 2.029 -0.320 8.294) 8.544 3.422 ( -2.709 -0.048 6.870) 7.385 3.688 ( 1.087 2.804 -2.891) 4.172 4.329 ( -0.090 1.311 -6.003) 6.145 4.797 ( 0.355 5.016 1.473) 5.240 4.987 ( 0.310 -1.298 -0.140) 1.342 5.539 ( 2.604 6.502 -1.867) 7.249 5.598 ( 0.302 7.808 0.349) 7.822 8.408 ( 3.167 -0.286 -0.455) 3.213 8.477 ( 2.478 -3.512 0.299) 4.309 8.568 ( -5.319 0.382 -0.480) 5.354 9.252 ( -0.083 3.581 -0.055) 3.582 10.032 ( -1.052 1.511 -0.325) 1.870 10.122 ( -0.992 1.118 -0.438) 1.558 10.164 ( 1.158 2.307 0.449) 2.620 10.315 ( 1.160 0.315 -0.040) 1.203======================= Grid point 197 (98/140) =======================q-point: (-0.33 -0.67 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( 0.243 0.672 -1.321) 1.502 0.730 ( -0.603 -1.142 0.596) 1.422 0.821 ( -0.081 2.034 0.939) 2.241 0.864 ( -0.007 0.109 -0.982) 0.988 0.913 ( 0.158 -0.059 0.259) 0.309 0.981 ( -3.580 0.774 0.684) 3.726 1.013 ( 1.586 -0.102 -1.326) 2.070 1.024 ( 2.244 -0.237 -0.565) 2.326 1.255 ( 2.055 0.290 1.397) 2.501 1.281 ( -2.931 1.635 -0.380) 3.378 1.524 ( 1.542 -6.570 4.802) 8.282 1.574 ( -1.585 1.193 1.892) 2.741 1.652 ( 0.545 0.364 -2.530) 2.614 1.725 ( -3.295 -1.431 -2.993) 4.675 1.754 ( -0.406 -1.346 -0.922) 1.681 1.984 ( 0.033 2.193 0.845) 2.350 2.115 ( 1.030 -5.627 0.687) 5.762 2.257 ( 1.597 -11.536 3.526) 12.168 2.486 ( 0.393 -2.573 -1.913) 3.230 2.531 ( 2.682 -4.402 -1.172) 5.287 2.722 ( -1.437 -0.667 1.951) 2.513 2.870 ( -0.971 -4.027 -5.223) 6.666 2.899 ( -0.055 -6.913 -0.985) 6.983 3.393 ( 0.291 0.397 7.422) 7.438 3.438 ( -1.382 -1.978 4.721) 5.302 3.631 ( 0.063 3.476 -2.304) 4.171 4.288 ( 0.227 1.259 -5.127) 5.284 4.710 ( -0.548 5.564 1.747) 5.857 5.007 ( 0.075 -1.035 -0.242) 1.066 5.409 ( -1.474 8.226 -1.144) 8.435 5.473 ( 1.322 7.804 -0.075) 7.916 8.435 ( 1.321 0.703 -0.748) 1.673 8.514 ( -2.493 -0.351 0.734) 2.623 8.569 ( 1.525 -4.046 -0.389) 4.341 9.195 ( -0.014 2.910 -0.037) 2.910 9.991 ( 0.812 4.303 0.233) 4.385 10.020 ( -2.294 3.205 -1.539) 4.231 10.217 ( 2.437 -2.265 1.286) 3.567 10.308 ( -0.721 0.579 -0.459) 1.032======================= Grid point 198 (99/140) =======================q-point: (-0.22 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( 0.232 1.451 -1.934) 2.429 0.721 ( -1.030 0.910 0.821) 1.601 0.787 ( 0.289 2.697 1.690) 3.196 0.854 ( -0.256 0.129 -1.154) 1.189 0.893 ( -0.191 3.340 -0.614) 3.401 0.943 ( -1.629 -0.511 0.214) 1.721 1.016 ( -0.122 0.072 -1.454) 1.461 1.060 ( 3.594 -0.403 -0.629) 3.671 1.204 ( -0.217 3.592 0.574) 3.644 1.278 ( -0.025 0.058 1.421) 1.422 1.519 ( -0.117 3.809 0.806) 3.895 1.631 ( 0.662 1.651 1.467) 2.306 1.650 ( 0.300 -1.722 0.128) 1.752 1.739 ( -2.648 -6.463 3.675) 7.892 1.775 ( -2.159 -2.325 0.415) 3.199 1.972 ( 0.687 -0.088 -0.666) 0.962 2.178 ( 0.716 -2.121 -1.876) 2.921 2.421 ( 2.504 -2.725 1.867) 4.145 2.522 ( -0.558 -2.449 -3.494) 4.303 2.620 ( 0.855 -3.469 -2.011) 4.100 2.741 ( 0.781 -0.869 3.548) 3.736 2.879 ( -1.266 -2.433 -3.638) 4.556 2.995 ( -0.148 -2.923 -0.079) 2.928 3.409 ( -0.883 -0.086 6.741) 6.799 3.460 ( -1.026 0.289 2.024) 2.288 3.564 ( -0.240 3.276 -1.593) 3.651 4.263 ( 0.751 0.249 -3.982) 4.060 4.621 ( -1.067 4.422 1.962) 4.954 5.027 ( 1.008 -1.023 -0.404) 1.492 5.255 ( -2.062 7.184 -0.516) 7.492 5.374 ( 0.405 4.131 -0.110) 4.152 8.392 ( -3.975 1.104 -0.608) 4.170 8.543 ( 3.929 -0.763 1.090) 4.148 8.632 ( 0.165 -1.983 -0.907) 2.187 9.160 ( 0.001 1.062 -0.043) 1.063 9.915 ( -0.082 2.854 0.052) 2.855 9.991 ( 1.430 0.945 -0.341) 1.747 10.263 ( -2.019 -1.225 -1.052) 2.585 10.290 ( 1.190 0.362 0.868) 1.517======================= Grid point 199 (100/140) =======================q-point: (-0.11 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.572 ( 0.278 1.666 -1.630) 2.347 0.698 ( 1.057 2.120 0.610) 2.447 0.750 ( 0.096 2.536 2.717) 3.718 0.830 ( 0.147 3.348 0.321) 3.366 0.848 ( 0.361 0.313 -0.711) 0.856 0.931 ( -0.467 1.201 -3.030) 3.293 1.011 ( -0.116 -0.654 -0.076) 0.669 1.097 ( 3.533 0.248 -0.281) 3.553 1.161 ( 1.297 2.719 1.814) 3.517 1.282 ( 1.815 0.608 0.774) 2.064 1.467 ( 1.920 3.338 -0.674) 3.910 1.568 ( -2.846 2.133 -0.439) 3.584 1.671 ( -2.921 -1.331 -1.310) 3.467 1.789 ( -2.217 -1.572 1.784) 3.251 1.862 ( 1.359 -4.327 9.611) 10.628 1.981 ( 0.991 0.274 -0.664) 1.224 2.194 ( -0.576 -0.765 -3.818) 3.937 2.412 ( 0.961 5.300 -2.509) 5.942 2.510 ( -1.244 2.078 -1.002) 2.621 2.640 ( -1.747 -0.702 -0.161) 1.890 2.781 ( 2.292 -1.023 -0.093) 2.512 2.914 ( -1.030 -3.005 0.250) 3.187 2.978 ( 0.192 5.021 0.002) 5.024 3.385 ( -2.919 5.161 -0.243) 5.934 3.431 ( -0.142 1.125 5.954) 6.061 3.529 ( 0.832 0.375 -0.294) 0.959 4.276 ( 1.743 -1.767 -3.300) 4.129 4.566 ( -0.246 1.739 2.181) 2.800 5.058 ( 2.130 0.209 -0.655) 2.238 5.141 ( -0.579 3.209 0.029) 3.261 5.362 ( 0.097 -2.602 0.112) 2.606 8.340 ( -3.293 0.414 -0.018) 3.319 8.601 ( 4.485 -0.395 0.764) 4.567 8.622 ( -1.296 1.939 -1.409) 2.725 9.162 ( 0.045 -1.246 -0.024) 1.247 9.913 ( -0.269 -2.602 -0.225) 2.626 10.010 ( 4.475 0.162 0.927) 4.573 10.229 ( -4.203 -0.208 -1.640) 4.517 10.308 ( 0.930 0.365 0.336) 1.054======================= Grid point 204 (101/140) =======================q-point: ( 0.44 0.44 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.470 ( 3.432 0.000 0.100) 3.433 0.646 ( -1.960 -0.000 -0.127) 1.964 0.839 ( -1.206 -0.000 3.834) 4.019 0.862 ( 0.151 0.000 -0.667) 0.684 0.933 ( -1.266 -0.000 0.035) 1.266 0.958 ( 1.968 0.000 -2.432) 3.129 0.959 ( -0.614 -0.000 -1.391) 1.521 1.006 ( 0.099 0.000 0.612) 0.620 1.160 ( 1.701 0.000 1.372) 2.185 1.237 ( 0.832 0.000 0.263) 0.873 1.388 ( -0.431 -0.000 -0.417) 0.600 1.447 ( 0.735 0.000 0.221) 0.768 1.568 ( -0.951 -0.000 -0.467) 1.060 1.669 ( -4.298 -0.000 0.046) 4.298 1.729 ( -0.370 -0.000 0.229) 0.435 1.828 ( 6.066 0.000 -2.911) 6.728 2.037 ( -1.126 -0.000 5.320) 5.438 2.148 ( 2.396 0.000 6.434) 6.865 2.376 ( 0.140 0.000 -10.090) 10.091 2.428 ( -1.405 -0.000 -0.136) 1.412 2.536 ( 1.505 0.000 -0.372) 1.551 2.710 ( 1.320 0.000 0.171) 1.331 2.738 ( -2.985 -0.000 -3.270) 4.428 3.352 ( 1.745 0.000 8.827) 8.998 3.432 ( -2.916 -0.000 8.229) 8.731 3.738 ( 1.230 0.000 -3.743) 3.940 4.352 ( -0.472 -0.000 -6.507) 6.524 4.892 ( -0.166 -0.000 1.175) 1.186 4.959 ( 0.986 0.000 -0.177) 1.001 5.657 ( 3.153 0.000 -1.761) 3.612 5.746 ( 0.361 0.000 0.196) 0.411 8.372 ( 0.015 0.000 0.045) 0.048 8.439 ( 5.292 0.000 -0.354) 5.304 8.579 ( -5.174 -0.000 -0.486) 5.197 9.329 ( -0.195 -0.000 -0.109) 0.224 10.063 ( 0.002 0.000 0.012) 0.012 10.071 ( 0.105 0.000 0.974) 0.980 10.268 ( -2.481 -0.000 -1.889) 3.118 10.326 ( 2.962 0.000 0.696) 3.043======================= Grid point 205 (102/140) =======================q-point: (-0.44 -0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( 2.826 -6.615 0.206) 7.197 0.628 ( -2.980 -0.975 0.020) 3.135 0.840 ( -2.255 -1.220 3.382) 4.244 0.856 ( -0.948 0.138 -0.211) 0.981 0.910 ( -2.059 0.280 -0.056) 2.079 0.973 ( 1.176 -0.103 -1.222) 1.698 0.988 ( 0.482 -3.113 -0.342) 3.169 1.018 ( 1.484 -0.145 -0.405) 1.545 1.186 ( 0.693 -0.996 0.648) 1.376 1.272 ( 0.808 -3.618 -0.294) 3.719 1.368 ( -0.921 1.425 -0.210) 1.710 1.551 ( -1.699 -1.088 -0.420) 2.061 1.579 ( 0.152 -12.395 0.070) 12.396 1.663 ( 0.142 -1.926 -0.372) 1.967 1.711 ( -0.984 1.500 0.967) 2.037 1.845 ( 2.780 1.934 -3.185) 4.649 2.059 ( -1.378 -0.961 5.326) 5.585 2.156 ( 2.944 3.162 4.125) 5.973 2.383 ( 0.981 -3.561 -6.696) 7.647 2.430 ( 0.051 -1.346 -0.341) 1.389 2.593 ( 0.106 -5.724 0.099) 5.726 2.706 ( -2.079 -0.428 -2.330) 3.152 2.754 ( 0.811 -3.407 -1.870) 3.970 3.391 ( 0.518 -0.124 8.109) 8.126 3.429 ( -2.078 0.617 7.973) 8.262 3.718 ( -0.133 1.442 -3.722) 3.994 4.322 ( -0.356 0.551 -6.192) 6.227 4.867 ( -0.574 2.842 1.248) 3.156 4.970 ( -0.037 -0.820 -0.154) 0.835 5.629 ( -1.253 3.783 -1.345) 4.206 5.714 ( 1.171 4.613 -0.048) 4.759 8.392 ( 0.173 -2.157 0.029) 2.164 8.493 ( 4.282 -0.108 -0.456) 4.308 8.522 ( -4.393 0.234 -0.257) 4.407 9.305 ( -0.097 2.482 -0.077) 2.485 10.047 ( 0.055 1.198 -0.067) 1.201 10.112 ( 1.630 -2.276 1.298) 3.086 10.208 ( -2.456 2.940 -1.745) 4.210 10.342 ( 1.529 1.145 0.190) 1.920======================= Grid point 206 (103/140) =======================q-point: (-0.33 -0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.613 ( -2.054 -0.551 -0.102) 2.129 0.683 ( -1.225 -3.866 0.334) 4.069 0.842 ( -1.120 0.115 0.472) 1.221 0.861 ( -0.489 -1.302 0.982) 1.702 0.885 ( -2.692 -0.308 1.224) 2.973 0.970 ( -0.273 0.771 -0.544) 0.982 1.031 ( 1.694 0.421 -1.477) 2.287 1.045 ( 2.942 -1.217 -0.162) 3.188 1.218 ( -1.166 -2.686 0.475) 2.967 1.323 ( -0.248 2.054 0.500) 2.129 1.390 ( 1.235 -8.732 0.899) 8.865 1.543 ( -2.532 -1.083 0.123) 2.757 1.661 ( -1.734 1.318 -0.201) 2.187 1.691 ( 1.227 -0.743 0.500) 1.519 1.782 ( 0.181 2.174 -2.527) 3.338 1.896 ( 0.499 -16.285 -1.379) 16.351 2.042 ( -0.288 2.167 1.993) 2.958 2.188 ( 2.912 -1.606 4.710) 5.766 2.441 ( 0.845 -3.442 -2.059) 4.099 2.483 ( 2.512 -3.670 -2.228) 4.974 2.694 ( -1.580 -1.580 -0.670) 2.333 2.724 ( -0.381 -8.969 -0.239) 8.980 2.811 ( -0.064 -3.349 -2.704) 4.305 3.418 ( -1.921 -0.301 5.876) 6.189 3.429 ( 0.173 0.407 7.837) 7.850 3.666 ( -1.255 2.402 -3.189) 4.185 4.288 ( -0.202 0.758 -5.173) 5.232 4.796 ( -1.390 4.890 1.481) 5.295 4.987 ( -0.229 -1.364 -0.117) 1.388 5.509 ( -3.741 6.671 -0.545) 7.668 5.617 ( 0.575 7.654 -0.596) 7.699 8.420 ( -3.174 -0.287 -0.978) 3.334 8.476 ( -1.546 -2.829 0.500) 3.262 8.557 ( 4.626 -0.510 -0.125) 4.655 9.251 ( 0.032 3.529 -0.022) 3.529 10.029 ( 0.814 1.234 -0.250) 1.499 10.106 ( 0.223 5.978 0.197) 5.986 10.181 ( -0.081 -3.105 -0.212) 3.113 10.323 ( -0.214 1.484 -0.325) 1.534======================= Grid point 207 (104/140) =======================q-point: (-0.22 -0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.600 ( -1.797 -0.282 -1.149) 2.152 0.705 ( -2.158 -1.605 0.853) 2.822 0.831 ( -1.227 0.247 0.686) 1.427 0.840 ( -1.124 1.495 -0.135) 1.875 0.908 ( -0.924 -2.342 1.498) 2.930 0.936 ( -0.703 2.360 -0.590) 2.532 1.016 ( -0.664 1.031 -1.518) 1.951 1.099 ( 5.458 -0.657 -0.589) 5.529 1.228 ( -1.895 0.054 0.587) 1.984 1.302 ( 1.475 1.238 1.109) 2.223 1.526 ( -4.178 -1.421 1.113) 4.551 1.586 ( -0.783 -7.012 -0.983) 7.123 1.635 ( 1.701 -2.974 4.103) 5.345 1.689 ( 0.013 4.431 -2.002) 4.862 1.733 ( -0.506 -0.942 0.743) 1.303 1.986 ( -0.310 1.388 -0.006) 1.422 2.154 ( 2.987 -5.948 -1.512) 6.825 2.306 ( 1.006 -9.602 3.350) 10.219 2.496 ( 2.519 -1.558 -2.811) 4.084 2.560 ( 1.275 -3.641 -2.970) 4.869 2.724 ( 0.335 -2.996 2.185) 3.723 2.824 ( -0.756 -1.545 -2.207) 2.798 2.887 ( -0.870 -8.531 -0.227) 8.578 3.414 ( -2.050 0.063 4.438) 4.889 3.459 ( -0.132 -0.594 5.791) 5.823 3.598 ( -1.675 2.595 -2.431) 3.931 4.261 ( 0.207 0.489 -3.943) 3.979 4.695 ( -2.102 5.258 1.702) 5.913 5.014 ( 0.694 -1.712 -0.130) 1.852 5.347 ( -4.105 7.247 0.008) 8.329 5.479 ( -0.470 7.809 -0.732) 7.857 8.363 ( -4.360 0.825 -0.598) 4.478 8.550 ( 0.889 -4.491 0.615) 4.619 8.601 ( 3.091 -0.203 -0.701) 3.176 9.195 ( 0.036 2.931 -0.021) 2.931 9.989 ( -0.251 5.130 -0.274) 5.144 10.042 ( 3.762 2.202 1.011) 4.475 10.206 ( -3.148 -1.528 -1.532) 3.820 10.306 ( 0.327 0.147 0.170) 0.397======================= Grid point 208 (105/140) =======================q-point: (-0.11 -0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.579 ( -0.925 0.314 -2.062) 2.282 0.715 ( -0.613 -0.711 0.577) 1.102 0.799 ( 0.351 2.397 0.677) 2.515 0.829 ( -2.400 -1.535 1.597) 3.266 0.882 ( -0.374 2.585 -0.497) 2.659 0.929 ( 0.234 0.009 -1.632) 1.648 0.996 ( -0.828 -0.519 1.023) 1.415 1.157 ( 4.740 0.775 -0.603) 4.841 1.206 ( 0.362 1.029 0.604) 1.246 1.307 ( 1.474 0.254 1.149) 1.886 1.500 ( -2.074 0.289 0.053) 2.094 1.571 ( -3.911 1.149 -2.349) 4.705 1.612 ( -2.051 0.650 -1.321) 2.524 1.755 ( -0.120 -1.092 2.284) 2.534 1.825 ( 2.778 -7.076 9.868) 12.456 1.967 ( -0.610 -0.214 -2.682) 2.759 2.208 ( 3.511 0.950 -1.149) 3.814 2.466 ( -0.487 -5.570 1.491) 5.787 2.499 ( 2.067 3.185 -4.995) 6.275 2.602 ( -0.426 -2.231 -2.394) 3.300 2.796 ( 1.928 -0.388 2.199) 2.950 2.836 ( -1.213 -4.339 -0.430) 4.526 2.990 ( -0.298 -3.511 -0.054) 3.524 3.399 ( -2.328 0.813 1.289) 2.782 3.473 ( -0.639 0.911 5.304) 5.420 3.543 ( -0.719 1.237 -1.262) 1.908 4.256 ( 0.962 -0.749 -3.291) 3.510 4.607 ( -1.571 3.190 1.986) 4.073 5.061 ( 2.435 -2.163 -0.291) 3.270 5.201 ( -3.193 5.485 0.294) 6.353 5.368 ( -0.711 3.624 -0.512) 3.729 8.316 ( -2.567 0.325 -0.003) 2.588 8.598 ( -1.995 -1.184 -2.343) 3.297 8.644 ( 4.142 -0.956 1.482) 4.501 9.161 ( 0.055 1.061 0.005) 1.062 9.913 ( -0.200 2.740 -0.046) 2.747 10.071 ( 5.403 0.625 1.494) 5.641 10.176 ( -4.033 -0.397 -1.425) 4.295 10.310 ( -0.638 -0.206 -0.582) 0.888======================= Grid point 214 (106/140) =======================q-point: (-0.44 -0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.514 ( 0.197 0.000 -1.594) 1.606 0.603 ( -1.381 -0.000 1.568) 2.089 0.794 ( -6.234 -0.000 5.153) 8.088 0.836 ( -2.612 -0.000 0.057) 2.612 0.906 ( 0.243 0.000 -0.717) 0.757 0.953 ( 0.869 0.000 -0.818) 1.194 0.984 ( 1.188 0.000 -0.775) 1.418 1.036 ( 2.516 0.000 -0.882) 2.666 1.175 ( -0.981 -0.000 0.656) 1.180 1.270 ( 1.903 0.000 -0.806) 2.067 1.368 ( -1.458 -0.000 0.421) 1.518 1.459 ( 0.489 0.000 -0.212) 0.533 1.525 ( -2.962 -0.000 0.131) 2.965 1.674 ( 4.795 0.000 -0.081) 4.796 1.712 ( -2.282 -0.000 0.797) 2.417 1.865 ( -0.186 -0.000 -3.343) 3.348 2.058 ( -0.689 -0.000 6.119) 6.158 2.242 ( 3.494 0.000 4.130) 5.410 2.317 ( 0.465 0.000 -9.233) 9.245 2.423 ( 1.127 0.000 -0.457) 1.217 2.534 ( -1.488 -0.000 -0.315) 1.521 2.667 ( -2.243 -0.000 -1.299) 2.592 2.745 ( 2.337 0.000 -1.133) 2.597 3.415 ( -0.913 -0.000 7.538) 7.593 3.447 ( -0.958 -0.000 8.600) 8.653 3.708 ( -1.563 -0.000 -3.984) 4.280 4.302 ( -0.470 -0.000 -5.695) 5.714 4.888 ( -0.981 -0.000 1.331) 1.653 4.957 ( -1.088 -0.000 -0.109) 1.094 5.630 ( -4.206 -0.000 -0.650) 4.256 5.762 ( 0.512 0.000 -0.556) 0.756 8.373 ( 0.001 0.000 0.030) 0.030 8.460 ( -5.582 -0.000 -1.202) 5.710 8.554 ( 5.481 0.000 0.522) 5.506 9.326 ( 0.059 0.000 -0.021) 0.063 10.063 ( -0.004 -0.000 0.010) 0.011 10.104 ( 1.413 0.000 0.167) 1.423 10.212 ( -0.506 -0.000 -0.016) 0.506 10.363 ( 0.152 0.000 -0.853) 0.866======================= Grid point 215 (107/140) =======================q-point: (-0.33 -0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.547 ( -3.550 -3.779 -0.233) 5.190 0.611 ( -1.510 -2.277 0.189) 2.738 0.772 ( -6.758 -3.138 5.125) 9.043 0.826 ( -1.430 -1.152 0.851) 2.024 0.897 ( 0.289 1.048 -0.864) 1.389 0.978 ( 0.124 0.191 -0.810) 0.841 1.018 ( 2.652 -3.608 -0.712) 4.534 1.062 ( 3.771 -0.159 -1.100) 3.931 1.169 ( -2.296 -1.045 -0.041) 2.523 1.292 ( -0.023 -2.800 -0.103) 2.802 1.349 ( -1.570 0.332 1.097) 1.944 1.501 ( -2.902 -0.823 1.233) 3.259 1.583 ( 0.485 -12.249 -0.471) 12.268 1.676 ( -2.482 1.108 -0.068) 2.719 1.739 ( 6.769 -0.657 -0.398) 6.812 1.822 ( -2.172 2.091 -3.473) 4.599 2.071 ( -1.133 0.543 5.447) 5.590 2.238 ( 3.409 2.186 -1.129) 4.204 2.366 ( 1.481 -5.195 -3.580) 6.480 2.452 ( 2.332 -1.724 -1.570) 3.297 2.575 ( -1.980 -6.622 0.159) 6.914 2.657 ( -1.286 -0.994 0.417) 1.677 2.776 ( 1.952 -1.286 -1.431) 2.741 3.420 ( -2.156 0.283 5.980) 6.363 3.468 ( 0.412 0.670 8.576) 8.612 3.664 ( -2.750 1.094 -3.468) 4.559 4.278 ( -0.330 0.291 -4.434) 4.455 4.852 ( -1.855 3.155 1.501) 3.955 4.955 ( -1.317 -1.404 0.023) 1.925 5.547 ( -5.829 3.535 -0.129) 6.818 5.719 ( -0.798 4.545 -0.819) 4.686 8.382 ( -2.250 -0.329 -0.616) 2.355 8.412 ( -2.680 -1.878 -0.432) 3.301 8.605 ( 4.606 0.174 0.452) 4.631 9.305 ( 0.145 2.494 0.019) 2.499 10.056 ( 0.914 0.696 0.021) 1.149 10.127 ( -0.752 -1.665 -1.214) 2.193 10.202 ( 2.475 2.838 1.786) 4.168 10.337 ( -1.618 1.328 -1.814) 2.769======================= Grid point 216 (108/140) =======================q-point: (-0.22 -0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.553 ( -3.914 -1.849 0.999) 4.443 0.633 ( -3.444 -3.361 -0.000) 4.812 0.780 ( -5.142 -2.477 3.255) 6.571 0.853 ( -0.490 -2.451 1.189) 2.768 0.875 ( 0.422 1.211 -0.832) 1.529 0.957 ( -0.886 1.412 -1.123) 2.010 1.025 ( -1.377 1.850 -1.814) 2.934 1.132 ( 4.534 -1.426 -0.301) 4.763 1.190 ( -1.196 -2.603 0.310) 2.882 1.326 ( -0.524 -0.007 1.254) 1.359 1.387 ( -4.418 -7.830 1.106) 9.059 1.520 ( 1.312 -2.442 0.328) 2.791 1.626 ( -1.182 0.313 1.329) 1.806 1.725 ( -2.255 2.100 -1.892) 3.616 1.768 ( 3.972 0.786 0.483) 4.078 1.898 ( 1.133 -14.355 -2.116) 14.554 2.054 ( -0.039 0.334 2.475) 2.498 2.268 ( 3.528 -1.646 -0.601) 3.939 2.460 ( 2.302 -4.173 -4.195) 6.349 2.513 ( 2.502 -3.312 -1.649) 4.467 2.682 ( 0.043 -2.387 2.381) 3.372 2.702 ( -1.591 -10.051 0.195) 10.178 2.808 ( 0.812 -1.099 -0.731) 1.550 3.404 ( -2.848 0.258 3.347) 4.402 3.487 ( 0.864 1.031 7.490) 7.610 3.601 ( -3.196 1.579 -2.173) 4.175 4.259 ( 0.196 0.386 -2.892) 2.924 4.761 ( -3.092 4.999 1.577) 6.085 4.980 ( -0.367 -2.464 0.069) 2.493 5.407 ( -6.021 5.638 0.226) 8.252 5.599 ( -1.768 7.442 -0.743) 7.685 8.336 ( -3.263 0.735 -0.519) 3.385 8.465 ( -0.491 -4.681 -0.399) 4.723 8.640 ( 3.142 0.355 0.339) 3.180 9.253 ( 0.090 3.591 -0.004) 3.592 10.055 ( 1.539 1.997 0.084) 2.523 10.124 ( 0.031 1.013 0.328) 1.066 10.169 ( 0.559 2.611 -0.533) 2.723 10.300 ( -1.621 0.071 -1.281) 2.067======================= Grid point 217 (109/140) =======================q-point: (-0.11 -0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.548 ( -2.674 -1.417 -0.432) 3.057 0.666 ( -2.230 -3.511 0.810) 4.237 0.778 ( -3.438 -1.611 3.215) 4.976 0.843 ( 0.939 1.880 -0.779) 2.242 0.907 ( -0.725 -2.160 -1.166) 2.559 0.908 ( -1.326 1.752 -1.115) 2.464 0.984 ( -1.190 0.081 0.500) 1.294 1.178 ( -0.813 -1.061 0.712) 1.514 1.207 ( -0.450 -0.913 0.351) 1.077 1.328 ( 0.936 0.041 0.660) 1.146 1.445 ( -3.044 -3.438 0.313) 4.602 1.526 ( -2.170 -0.062 -2.651) 3.426 1.634 ( -2.311 3.195 -1.782) 4.327 1.738 ( 3.226 -7.535 5.234) 9.726 1.794 ( 3.342 1.402 3.580) 5.094 1.971 ( -1.157 1.311 0.558) 1.835 2.198 ( 2.654 -8.903 -3.083) 9.788 2.352 ( 2.678 -5.167 -0.176) 5.822 2.520 ( 2.491 -2.838 -6.619) 7.620 2.568 ( 1.407 -0.184 -0.736) 1.599 2.753 ( 0.468 -4.184 2.695) 4.999 2.820 ( 0.772 -0.045 1.353) 1.559 2.865 ( -1.110 -9.760 0.018) 9.823 3.383 ( -2.547 -0.234 0.216) 2.567 3.496 ( -0.317 0.953 6.308) 6.388 3.543 ( -2.392 1.115 -0.845) 2.771 4.250 ( 0.849 0.179 -2.153) 2.321 4.652 ( -3.236 4.213 1.693) 5.576 5.032 ( 1.171 -3.302 -0.225) 3.510 5.256 ( -4.985 5.582 0.390) 7.494 5.450 ( -1.799 7.163 -0.334) 7.393 8.303 ( -1.197 0.312 0.094) 1.241 8.530 ( -1.369 -3.725 -1.416) 4.214 8.666 ( 1.995 -0.519 0.708) 2.179 9.196 ( 0.125 2.951 0.019) 2.953 9.984 ( -0.726 5.503 -0.394) 5.565 10.123 ( -1.085 -0.092 0.986) 1.469 10.154 ( 3.809 0.971 0.047) 3.931 10.285 ( -2.181 -0.659 -1.733) 2.863======================= Grid point 224 (110/140) =======================q-point: (-0.33 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.484 ( -0.758 -0.000 -1.329) 1.530 0.552 ( -6.229 -0.000 0.508) 6.250 0.683 ( -8.508 -0.000 6.848) 10.921 0.805 ( -0.526 -0.000 1.802) 1.877 0.905 ( 0.104 0.000 -1.530) 1.534 0.989 ( -0.192 -0.000 -1.915) 1.925 0.994 ( 3.858 0.000 0.158) 3.862 1.097 ( 3.679 0.000 -1.133) 3.850 1.131 ( -3.546 -0.000 -0.193) 3.551 1.246 ( -6.076 -0.000 -0.064) 6.076 1.328 ( -3.738 -0.000 2.579) 4.541 1.468 ( 0.782 0.000 -1.133) 1.377 1.487 ( 0.887 0.000 0.823) 1.210 1.661 ( -2.497 -0.000 -0.388) 2.527 1.801 ( -2.972 -0.000 -3.533) 4.617 1.821 ( 8.928 0.000 -0.467) 8.940 2.082 ( -1.118 -0.000 5.910) 6.015 2.283 ( 1.779 0.000 -6.557) 6.794 2.321 ( 2.853 0.000 -1.699) 3.321 2.464 ( 3.397 0.000 -0.561) 3.443 2.478 ( -3.786 -0.000 -0.160) 3.790 2.649 ( 0.049 0.000 3.170) 3.170 2.784 ( 2.554 0.000 -1.743) 3.092 3.414 ( -3.205 -0.000 4.353) 5.405 3.518 ( 2.422 0.000 9.304) 9.614 3.628 ( -3.919 -0.000 -2.790) 4.811 4.266 ( 0.106 0.000 -2.699) 2.701 4.873 ( -1.584 -0.000 1.963) 2.522 4.918 ( -2.628 -0.000 0.017) 2.628 5.512 ( -7.116 -0.000 0.184) 7.119 5.741 ( -2.112 -0.000 -0.859) 2.280 8.356 ( -3.719 -0.000 -0.936) 3.835 8.373 ( -0.022 -0.000 0.002) 0.022 8.648 ( 3.207 0.000 0.425) 3.235 9.329 ( 0.148 0.000 0.049) 0.156 10.063 ( -0.006 -0.000 0.007) 0.009 10.116 ( 1.484 0.000 -0.752) 1.663 10.260 ( 2.930 0.000 2.134) 3.625 10.314 ( -3.557 -0.000 -3.653) 5.098======================= Grid point 225 (111/140) =======================q-point: (-0.22 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.489 ( -2.638 -1.365 1.607) 3.377 0.523 ( -6.226 -4.246 -0.248) 7.540 0.671 ( -6.470 -4.736 5.773) 9.880 0.820 ( -0.546 -1.292 1.371) 1.961 0.892 ( 0.260 0.763 -2.206) 2.349 0.959 ( -1.991 0.839 -0.847) 2.321 1.038 ( -2.200 2.286 -1.157) 3.377 1.122 ( 0.830 -3.537 -0.972) 3.761 1.137 ( -0.269 -1.618 -0.206) 1.653 1.209 ( -6.244 -6.677 1.883) 9.334 1.307 ( -2.778 -0.715 2.583) 3.860 1.516 ( 2.801 -0.592 -1.522) 3.242 1.583 ( 0.104 -11.171 -1.349) 11.253 1.636 ( -0.778 -1.078 1.077) 1.710 1.741 ( -2.568 2.288 -3.155) 4.667 1.895 ( 7.547 1.100 -0.447) 7.640 2.083 ( -0.761 1.293 5.350) 5.557 2.272 ( 2.920 0.175 -5.555) 6.278 2.383 ( 2.008 -5.147 -3.522) 6.552 2.490 ( 0.241 -3.172 -0.676) 3.252 2.537 ( 0.865 -5.727 -0.095) 5.793 2.676 ( 0.989 -0.972 4.565) 4.771 2.807 ( 2.052 -0.356 -1.412) 2.516 3.384 ( -4.149 0.295 1.268) 4.349 3.560 ( 1.953 2.018 5.219) 5.926 3.579 ( -2.366 0.657 2.143) 3.259 4.264 ( 1.118 0.352 -0.521) 1.283 4.813 ( -3.211 4.308 1.754) 5.652 4.927 ( -1.429 -2.732 0.399) 3.109 5.415 ( -7.159 2.889 0.374) 7.729 5.675 ( -2.787 4.320 -0.498) 5.165 8.319 ( -1.886 0.498 -0.382) 1.987 8.396 ( -0.221 -2.739 -0.178) 2.754 8.669 ( 1.296 0.273 0.197) 1.339 9.308 ( 0.124 2.552 0.068) 2.556 10.071 ( -0.257 -0.709 0.083) 0.759 10.131 ( 2.473 0.681 -0.195) 2.572 10.235 ( -2.853 2.172 -3.402) 4.942 10.283 ( 0.327 1.070 0.575) 1.258======================= Grid point 226 (112/140) =======================q-point: (-0.11 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.487 ( -3.741 -1.751 3.259) 5.261 0.565 ( -3.286 -5.584 0.295) 6.486 0.714 ( -3.799 -3.833 3.893) 6.654 0.836 ( -2.731 -1.984 -0.352) 3.394 0.878 ( 0.832 0.651 -2.384) 2.608 0.919 ( -1.983 2.077 -0.865) 2.999 0.967 ( -3.209 -0.529 0.179) 3.257 1.112 ( -6.428 -2.229 1.592) 6.988 1.175 ( -0.673 -2.112 0.025) 2.217 1.307 ( -2.665 -2.239 2.510) 4.291 1.354 ( 2.164 -6.239 -0.699) 6.640 1.502 ( -1.601 0.292 -4.135) 4.444 1.656 ( -1.105 2.220 -2.357) 3.421 1.693 ( 3.355 -2.858 4.353) 6.195 1.826 ( -0.148 -10.212 0.861) 10.250 1.937 ( 3.708 -0.703 -0.974) 3.898 2.080 ( 1.249 -1.534 2.721) 3.364 2.313 ( 2.764 -3.208 -5.363) 6.833 2.471 ( 2.980 -3.495 -5.550) 7.204 2.572 ( 2.972 -3.172 1.138) 4.493 2.662 ( -0.847 -9.433 -1.061) 9.530 2.733 ( 1.276 -2.431 5.317) 5.983 2.826 ( 1.172 -0.641 -0.193) 1.350 3.340 ( -4.125 -0.603 -1.937) 4.597 3.522 ( -2.719 0.764 0.241) 2.835 3.571 ( 1.448 3.875 6.989) 8.121 4.268 ( 1.649 0.968 0.222) 1.925 4.695 ( -4.552 4.999 1.585) 6.944 4.975 ( -0.091 -3.791 -0.183) 3.797 5.287 ( -5.971 4.345 0.355) 7.394 5.552 ( -2.332 6.855 0.393) 7.251 8.304 ( 0.308 0.261 0.295) 0.500 8.450 ( -0.515 -3.916 -0.546) 3.987 8.670 ( -0.497 -0.025 0.079) 0.504 9.255 ( 0.196 3.605 0.076) 3.611 10.038 ( -3.575 2.834 -1.046) 4.681 10.131 ( 1.489 1.084 0.244) 1.858 10.213 ( 2.761 -0.551 -0.166) 2.820 10.248 ( -2.165 1.780 -1.236) 3.063======================= Grid point 234 (113/140) =======================q-point: (-0.22 -0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.383 ( -8.511 -0.000 -1.930) 8.727 0.492 ( 0.451 0.000 2.739) 2.776 0.563 ( -8.381 -0.000 7.898) 11.516 0.808 ( -0.659 -0.000 1.177) 1.348 0.889 ( -0.405 -0.000 -3.613) 3.636 0.919 ( -8.873 -0.000 1.799) 9.053 1.033 ( -5.051 -0.000 -0.351) 5.063 1.056 ( -8.218 -0.000 1.687) 8.389 1.108 ( 5.821 0.000 0.317) 5.829 1.131 ( 0.171 0.000 -1.091) 1.104 1.282 ( -2.761 -0.000 2.466) 3.702 1.468 ( 0.366 0.000 -2.694) 2.719 1.515 ( -1.168 -0.000 -4.957) 5.093 1.649 ( 3.017 0.000 2.598) 3.981 1.733 ( -1.748 -0.000 -2.193) 2.805 1.951 ( 2.514 0.000 -0.665) 2.601 2.135 ( 4.979 0.000 4.815) 6.927 2.303 ( 2.613 0.000 -2.140) 3.378 2.340 ( 2.837 0.000 -5.860) 6.511 2.396 ( -4.065 -0.000 0.301) 4.076 2.549 ( 4.751 0.000 0.518) 4.779 2.692 ( 1.241 0.000 3.356) 3.578 2.822 ( 2.202 0.000 -1.119) 2.470 3.336 ( -5.524 -0.000 -2.259) 5.968 3.537 ( -4.167 -0.000 1.248) 4.350 3.668 ( 7.052 0.000 5.991) 9.253 4.292 ( 2.958 0.000 2.478) 3.859 4.858 ( -1.144 -0.000 2.255) 2.529 4.861 ( -2.909 -0.000 0.141) 2.913 5.368 ( -7.066 -0.000 0.437) 7.080 5.683 ( -2.843 -0.000 0.335) 2.862 8.312 ( -0.221 -0.000 0.019) 0.222 8.372 ( -0.032 -0.000 -0.013) 0.035 8.675 ( -0.708 -0.000 -0.103) 0.716 9.333 ( 0.262 0.000 0.234) 0.352 10.063 ( -0.006 -0.000 -0.000) 0.006 10.153 ( -4.373 -0.000 -5.057) 6.685 10.187 ( 0.790 0.000 -0.746) 1.087 10.319 ( 0.998 0.000 1.390) 1.711======================= Grid point 235 (114/140) =======================q-point: (-0.11 -0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.402 ( -4.959 -9.016 0.135) 10.290 0.462 ( -3.149 0.940 5.960) 6.806 0.595 ( -4.780 -5.659 3.109) 8.033 0.786 ( -6.163 0.428 2.775) 6.773 0.862 ( -5.856 -4.714 4.536) 8.780 0.875 ( -0.927 0.236 -3.396) 3.528 0.946 ( -3.071 2.680 -1.480) 4.337 1.031 ( -3.608 -1.560 0.492) 3.961 1.132 ( -0.627 -1.560 -0.409) 1.730 1.246 ( 2.525 -5.669 1.092) 6.301 1.275 ( -0.931 -2.877 0.417) 3.053 1.467 ( -2.698 0.013 -5.683) 6.291 1.574 ( -0.548 -12.406 -3.153) 12.812 1.665 ( -1.255 0.913 -3.987) 4.279 1.730 ( 4.367 0.203 4.510) 6.281 1.971 ( -0.085 -1.078 0.750) 1.316 2.160 ( 5.372 5.353 3.903) 8.530 2.290 ( 2.147 0.119 -4.616) 5.092 2.408 ( 1.403 -5.940 -0.296) 6.110 2.456 ( 0.336 -6.659 -1.706) 6.882 2.622 ( 5.438 -2.287 -0.010) 5.899 2.725 ( 0.813 -1.781 3.583) 4.082 2.834 ( 1.327 0.467 -0.839) 1.638 3.267 ( -6.069 -0.589 -5.054) 7.920 3.505 ( -2.974 0.264 2.448) 3.861 3.709 ( 5.801 5.256 2.879) 8.341 4.321 ( 2.983 1.784 2.742) 4.427 4.748 ( -4.624 6.248 1.145) 7.857 4.907 ( -0.988 -3.511 -0.532) 3.686 5.285 ( -5.770 2.264 0.337) 6.208 5.629 ( -1.315 4.093 1.854) 4.682 8.319 ( 1.669 0.101 0.597) 1.776 8.392 ( -0.070 -2.372 -0.059) 2.374 8.657 ( -2.268 0.164 -0.277) 2.291 9.313 ( 0.222 2.654 0.198) 2.671 10.025 ( -5.346 1.707 -1.647) 5.849 10.108 ( -1.812 -2.935 -2.778) 4.429 10.226 ( 4.099 -0.129 1.049) 4.233 10.296 ( -0.745 3.203 0.472) 3.322======================= Grid point 244 (115/140) =======================q-point: (-0.11 -0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.226 ( -5.930 -0.000 1.355) 6.082 0.436 ( -9.229 -0.000 7.230) 11.723 0.536 ( 1.548 0.000 3.592) 3.911 0.719 ( -10.615 -0.000 13.649) 17.291 0.799 ( -0.288 -0.000 -0.332) 0.440 0.855 ( -1.113 -0.000 -4.674) 4.804 0.920 ( -5.308 -0.000 -0.881) 5.381 0.997 ( -0.508 -0.000 -0.001) 0.508 1.113 ( -0.667 -0.000 -0.110) 0.675 1.213 ( 3.612 0.000 0.243) 3.620 1.247 ( -1.980 -0.000 0.908) 2.178 1.418 ( -2.682 -0.000 -6.295) 6.843 1.448 ( 0.111 0.000 -4.288) 4.289 1.632 ( -3.485 -0.000 -4.836) 5.961 1.794 ( 4.428 0.000 4.014) 5.977 1.949 ( -1.104 -0.000 1.082) 1.546 2.271 ( 2.026 0.000 -1.844) 2.740 2.352 ( -0.059 -0.000 1.172) 1.174 2.366 ( 5.519 0.000 6.535) 8.554 2.390 ( 5.226 0.000 -3.489) 6.284 2.635 ( 2.815 0.000 -0.125) 2.818 2.725 ( 0.873 0.000 0.787) 1.175 2.853 ( 1.072 0.000 -0.204) 1.091 3.172 ( -7.392 -0.000 -7.336) 10.414 3.491 ( -1.844 -0.000 3.033) 3.549 3.831 ( 7.047 0.000 -3.360) 7.807 4.376 ( 1.724 0.000 1.581) 2.339 4.804 ( -7.295 -0.000 -4.584) 8.616 4.814 ( -1.847 -0.000 0.205) 1.859 5.255 ( -4.206 -0.000 0.392) 4.224 5.677 ( 1.683 0.000 2.922) 3.372 8.343 ( 2.489 0.000 0.806) 2.616 8.371 ( -0.022 -0.000 -0.012) 0.025 8.631 ( -2.880 -0.000 -0.382) 2.905 9.339 ( -0.168 -0.000 -0.035) 0.172 9.972 ( -4.739 -0.000 -0.327) 4.751 10.063 ( -0.007 -0.000 -0.008) 0.010 10.262 ( 2.048 0.000 0.095) 2.050 10.321 ( -0.395 -0.000 0.858) 0.945======================= Grid point 245 (116/140) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.222 ( 0.000 0.000 0.000) 0.000 0.591 ( 0.000 0.000 0.000) 0.000 0.648 ( 0.000 0.000 0.000) 0.000 0.670 ( -0.000 -0.000 -0.000) 0.000 0.756 ( -0.000 -0.000 0.000) 0.000 0.840 ( -0.000 -0.000 0.000) 0.000 0.887 ( 0.000 0.000 0.000) 0.000 0.971 ( 0.000 0.000 0.000) 0.000 1.114 ( -0.000 -0.000 0.000) 0.000 1.249 ( -0.000 -0.000 0.000) 0.000 1.253 ( -0.000 -0.000 0.000) 0.000 1.258 ( 0.000 0.000 -0.000) 0.000 1.374 ( -0.000 -0.000 0.000) 0.000 1.510 ( 0.000 0.000 0.000) 0.000 1.885 ( -0.000 -0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 2.238 ( -0.000 -0.000 0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.629 ( -0.000 -0.000 0.000) 0.000 2.704 ( -0.000 -0.000 -0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.859 ( -0.000 -0.000 0.000) 0.000 3.518 ( -0.000 -0.000 0.000) 0.000 3.798 ( -0.000 -0.000 0.000) 0.000 4.336 ( -0.000 -0.000 0.000) 0.000 4.601 ( -0.000 -0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 5.221 ( -0.000 -0.000 0.000) 0.000 5.722 ( -0.000 -0.000 0.000) 0.000 8.371 ( -0.000 -0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.589 ( -0.000 -0.000 0.000) 0.000 9.326 ( -0.000 -0.000 0.000) 0.000 10.062 ( -0.000 -0.000 0.000) 0.000 10.070 ( -0.000 -0.000 0.000) 0.000 10.210 ( 0.000 0.000 0.000) 0.000 10.358 ( 0.000 0.000 0.000) 0.000======================= Grid point 247 (117/140) =======================q-point: ( 0.11 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.359 ( 0.829 -10.828 -0.103) 10.860 0.561 ( 1.236 1.283 -4.836) 5.153 0.650 ( -0.094 -1.847 -5.553) 5.853 0.716 ( 2.430 -1.099 5.529) 6.139 0.778 ( 0.581 -0.989 1.879) 2.201 0.827 ( 2.526 1.468 0.532) 2.969 0.960 ( 2.517 -4.514 -4.161) 6.635 0.984 ( 0.480 -1.365 1.825) 2.328 1.122 ( -1.120 -2.026 0.321) 2.337 1.229 ( 2.390 0.985 1.213) 2.856 1.266 ( 2.041 -0.328 -1.392) 2.492 1.359 ( -1.862 -9.529 0.855) 9.747 1.489 ( 1.186 -11.679 0.501) 11.750 1.528 ( 1.266 -0.983 2.099) 2.641 1.870 ( -1.820 0.572 -0.611) 2.003 1.984 ( 0.655 -2.415 -0.470) 2.546 2.236 ( -1.876 1.598 1.615) 2.946 2.321 ( -3.454 5.405 -0.356) 6.425 2.435 ( -0.172 -6.924 -0.205) 6.929 2.568 ( -4.795 2.885 -2.183) 6.007 2.688 ( -3.543 -1.256 0.424) 3.783 2.816 ( 0.709 -5.014 -4.420) 6.722 2.841 ( -0.520 -0.791 -0.489) 1.065 2.944 ( 5.627 -4.554 8.158) 10.907 3.522 ( 1.371 0.319 -1.031) 1.745 3.720 ( -4.675 5.401 4.640) 8.518 4.347 ( 3.610 1.857 -0.212) 4.065 4.612 ( 4.121 2.073 1.254) 4.780 4.839 ( 1.241 -3.796 0.424) 4.016 5.214 ( 2.325 2.087 -0.367) 3.146 5.679 ( -0.398 4.613 -0.431) 4.650 8.362 ( -0.933 0.263 0.065) 0.971 8.408 ( -0.752 -3.185 -0.185) 3.278 8.597 ( 2.243 0.432 -0.059) 2.285 9.308 ( 0.426 2.443 0.093) 2.482 10.002 ( -0.529 2.157 -1.729) 2.815 10.111 ( -2.912 -2.995 -0.972) 4.289 10.223 ( 4.362 1.411 0.800) 4.654 10.328 ( -1.523 2.169 -0.589) 2.714======================= Grid point 248 (118/140) =======================q-point: ( 0.22 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.527 ( 0.985 -5.555 0.151) 5.644 0.547 ( 2.154 -1.205 -3.420) 4.218 0.702 ( 3.084 -4.530 -4.669) 7.199 0.770 ( 2.130 -1.167 2.306) 3.349 0.802 ( 0.247 -0.390 3.475) 3.506 0.835 ( 2.209 0.790 0.390) 2.378 0.994 ( 0.526 -0.739 -1.865) 2.074 1.067 ( 3.458 -3.949 -1.300) 5.407 1.148 ( -0.547 -1.075 1.098) 1.631 1.266 ( 4.008 -0.367 2.225) 4.599 1.313 ( 3.731 -2.686 -2.290) 5.136 1.501 ( -3.303 -9.347 -1.091) 9.973 1.555 ( 0.609 -0.139 2.404) 2.483 1.756 ( 3.256 -14.551 1.596) 14.996 1.834 ( -2.609 0.272 -0.895) 2.772 2.037 ( -1.311 -1.721 -3.053) 3.742 2.147 ( -2.731 1.819 3.771) 4.999 2.243 ( -2.911 0.514 0.144) 2.959 2.477 ( -5.323 1.099 1.090) 5.544 2.616 ( 0.948 -11.834 -0.501) 11.882 2.669 ( -3.544 -1.120 1.237) 3.917 2.810 ( 1.474 2.041 -1.520) 2.940 2.905 ( -1.116 -4.562 -3.633) 5.938 3.115 ( 2.926 -7.131 6.399) 10.018 3.520 ( 1.592 1.393 -1.249) 2.457 3.611 ( -2.074 4.344 4.189) 6.381 4.327 ( 1.938 3.273 -1.686) 4.160 4.612 ( 4.063 2.877 0.764) 5.037 4.932 ( 1.464 -4.714 1.183) 5.075 5.198 ( 3.979 3.384 -0.585) 5.256 5.569 ( -0.202 7.271 -1.104) 7.357 8.343 ( -1.967 0.254 0.111) 1.987 8.464 ( -1.142 -4.470 -0.875) 4.696 8.619 ( 3.397 0.303 0.215) 3.418 9.258 ( 0.228 3.645 0.041) 3.652 9.978 ( 1.494 1.205 -1.628) 2.517 10.114 ( 0.127 0.451 1.338) 1.417 10.222 ( 1.107 3.185 -1.148) 3.562 10.281 ( -2.213 -0.385 -0.333) 2.271======================= Grid point 249 (119/140) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.535 ( 1.267 0.089 -2.077) 2.434 0.652 ( 1.691 -4.379 -1.109) 4.824 0.790 ( 0.471 -2.314 1.676) 2.896 0.815 ( 0.826 -1.195 1.222) 1.898 0.833 ( 3.018 -2.099 -0.123) 3.678 0.845 ( 0.894 -0.076 -0.037) 0.898 1.005 ( 1.355 -0.625 -1.610) 2.195 1.151 ( 2.247 -0.430 0.234) 2.300 1.162 ( 2.664 -1.584 0.319) 3.115 1.315 ( 2.524 -0.419 1.711) 3.078 1.399 ( 3.374 -3.512 -1.904) 5.229 1.538 ( -2.569 0.147 -0.802) 2.695 1.583 ( -2.084 -2.528 0.070) 3.277 1.825 ( -0.841 -1.383 0.689) 1.759 1.954 ( -3.817 3.080 -3.254) 5.886 1.976 ( 4.224 -5.516 -0.651) 6.978 2.214 ( -2.425 -7.910 -0.804) 8.312 2.239 ( -1.365 -0.576 7.031) 7.186 2.455 ( -3.355 -3.596 2.810) 5.665 2.626 ( -3.237 0.593 -0.227) 3.299 2.793 ( 1.455 0.779 -1.405) 2.168 2.841 ( 0.929 -11.124 -0.082) 11.163 2.927 ( -1.063 -0.758 -2.755) 3.048 3.264 ( 0.705 -5.938 3.509) 6.933 3.505 ( 0.872 0.993 0.372) 1.373 3.565 ( 0.484 1.923 0.904) 2.179 4.278 ( 0.663 2.893 -2.253) 3.726 4.607 ( 2.805 1.932 0.353) 3.424 5.023 ( 0.280 -4.395 1.277) 4.585 5.176 ( 4.287 3.735 -0.724) 5.732 5.442 ( 0.275 6.984 -1.038) 7.066 8.320 ( -1.799 0.218 0.061) 1.813 8.517 ( -1.239 -3.355 -1.287) 3.801 8.657 ( 3.092 -0.753 0.584) 3.236 9.200 ( -0.011 3.063 -0.010) 3.063 9.952 ( 1.079 3.297 -0.718) 3.542 10.127 ( 4.730 1.522 2.823) 5.715 10.164 ( -2.381 1.212 -1.826) 3.236 10.276 ( -2.585 -1.260 -0.774) 2.978======================= Grid point 250 (120/140) =======================q-point: ( 0.44 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.543 ( 0.659 -0.171 -0.663) 0.950 0.707 ( 0.677 -1.265 -0.622) 1.564 0.809 ( -0.391 -0.194 1.732) 1.786 0.841 ( 1.169 -0.732 -1.473) 2.018 0.852 ( -0.526 -0.269 0.788) 0.985 0.886 ( 0.787 -0.964 0.324) 1.286 1.033 ( 1.184 -0.966 -0.910) 1.778 1.157 ( 0.976 0.624 1.028) 1.549 1.222 ( 2.253 -1.017 -0.527) 2.527 1.335 ( 0.158 -0.022 0.715) 0.733 1.469 ( 1.690 -1.940 -1.140) 2.815 1.506 ( -0.985 0.758 -0.319) 1.283 1.577 ( -1.752 -0.009 0.138) 1.757 1.838 ( -0.293 0.365 2.371) 2.416 1.885 ( -1.174 0.487 -2.870) 3.139 2.056 ( 1.919 -2.386 -3.140) 4.386 2.216 ( -1.880 1.764 4.215) 4.941 2.330 ( -0.136 -4.430 1.312) 4.622 2.523 ( -1.106 -4.081 3.380) 5.414 2.579 ( -1.101 1.734 -2.737) 3.422 2.805 ( 0.797 -0.670 -0.156) 1.053 2.904 ( -0.726 0.822 -1.470) 1.834 2.983 ( 0.336 -4.331 0.000) 4.344 3.340 ( -0.042 -1.842 0.944) 2.071 3.516 ( 0.431 -0.858 0.603) 1.133 3.546 ( 0.392 1.036 -0.173) 1.121 4.240 ( 0.157 1.164 -1.008) 1.548 4.605 ( 1.009 0.651 0.112) 1.206 5.087 ( -0.847 -2.888 0.896) 3.140 5.154 ( 2.654 2.559 -0.648) 3.743 5.351 ( 0.195 3.136 -0.425) 3.171 8.305 ( -0.696 0.079 0.018) 0.700 8.541 ( -0.489 -1.027 -0.581) 1.277 8.697 ( 1.205 -0.790 0.289) 1.470 9.163 ( -0.033 1.179 -0.009) 1.179 9.903 ( 0.278 2.122 -0.089) 2.141 10.131 ( -0.742 0.265 -0.934) 1.222 10.164 ( 3.044 0.492 1.788) 3.565 10.264 ( -2.256 -0.696 -0.814) 2.497======================= Grid point 256 (121/140) =======================q-point: ( 0.11 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.242 ( 2.806 0.000 -0.352) 2.828 0.576 ( 5.108 0.000 -7.839) 9.356 0.611 ( -1.329 -0.000 -4.007) 4.222 0.756 ( 2.317 0.000 5.758) 6.206 0.782 ( 1.532 0.000 1.580) 2.200 0.903 ( 5.044 0.000 0.807) 5.108 0.928 ( 5.527 0.000 -6.453) 8.497 0.984 ( 1.359 0.000 1.811) 2.264 1.106 ( -0.228 -0.000 0.263) 0.348 1.209 ( -4.086 -0.000 0.751) 4.154 1.284 ( 3.938 0.000 -4.060) 5.656 1.308 ( 3.262 0.000 4.920) 5.903 1.391 ( 1.107 0.000 1.206) 1.637 1.552 ( 2.522 0.000 3.690) 4.469 1.847 ( -3.081 -0.000 -1.499) 3.426 1.967 ( 0.493 0.000 -0.744) 0.893 2.228 ( -2.911 -0.000 2.291) 3.704 2.334 ( -8.711 -0.000 2.495) 9.062 2.361 ( 0.305 0.000 -0.028) 0.306 2.529 ( -6.564 -0.000 -9.900) 11.879 2.604 ( -3.355 -0.000 2.657) 4.280 2.749 ( 0.079 0.000 -1.333) 1.336 2.855 ( -0.534 -0.000 -0.481) 0.719 3.014 ( 8.179 0.000 9.193) 12.304 3.541 ( 2.807 0.000 -2.057) 3.480 3.719 ( -7.649 -0.000 7.813) 10.934 4.396 ( 1.926 0.000 -0.742) 2.064 4.718 ( 8.220 0.000 4.305) 9.279 4.817 ( 1.862 0.000 -0.124) 1.866 5.266 ( 4.574 0.000 -0.702) 4.628 5.711 ( -0.719 -0.000 -0.955) 1.195 8.356 ( -1.982 -0.000 -0.446) 2.032 8.371 ( 0.013 0.000 0.009) 0.016 8.627 ( 2.928 0.000 0.007) 2.928 9.336 ( 0.577 0.000 0.183) 0.605 10.008 ( -0.178 -0.000 -3.182) 3.187 10.062 ( 0.005 0.000 0.010) 0.011 10.260 ( 0.321 0.000 0.072) 0.329 10.340 ( -0.069 -0.000 -1.045) 1.048======================= Grid point 257 (122/140) =======================q-point: ( 0.22 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.396 ( 2.832 -10.056 0.469) 10.457 0.566 ( 1.598 1.261 -4.976) 5.376 0.661 ( 5.307 -3.620 -4.104) 7.623 0.791 ( 1.725 -0.159 3.721) 4.104 0.810 ( 1.366 -0.527 1.295) 1.955 0.913 ( 4.786 3.505 1.549) 6.131 0.968 ( 1.481 -1.345 -4.182) 4.636 1.054 ( 5.494 -2.667 -0.821) 6.162 1.116 ( 0.032 -1.798 1.056) 2.086 1.257 ( -2.189 -7.690 -0.389) 8.005 1.317 ( 4.111 -0.915 -4.359) 6.062 1.364 ( 3.279 -1.031 4.919) 6.001 1.527 ( 1.638 -12.916 1.462) 13.101 1.588 ( 1.889 0.267 4.037) 4.465 1.801 ( -3.571 0.420 -2.734) 4.517 1.987 ( -0.785 -2.029 -0.896) 2.353 2.169 ( -5.507 2.888 3.219) 7.003 2.232 ( -4.936 2.061 2.027) 5.720 2.426 ( -5.398 0.243 -2.332) 5.886 2.450 ( 1.884 -7.863 -1.276) 8.185 2.609 ( -4.555 -2.253 0.746) 5.136 2.784 ( -1.172 -4.827 -2.019) 5.362 2.836 ( -0.497 0.835 -1.736) 1.989 3.132 ( 6.811 -1.271 8.762) 11.171 3.558 ( 3.168 0.927 -2.550) 4.171 3.652 ( -5.343 2.418 6.896) 9.052 4.378 ( -0.255 2.125 -2.780) 3.508 4.741 ( 5.501 5.034 1.776) 7.665 4.886 ( 2.346 -3.507 1.223) 4.393 5.297 ( 6.154 2.376 -0.868) 6.654 5.664 ( 0.062 4.324 -1.513) 4.581 8.332 ( -1.450 0.345 -0.652) 1.627 8.394 ( -0.262 -2.565 -0.224) 2.588 8.653 ( 2.464 0.165 0.136) 2.474 9.315 ( 0.032 2.692 -0.039) 2.693 10.016 ( 4.068 0.746 -0.857) 4.224 10.084 ( -0.101 -2.206 0.469) 2.257 10.242 ( -3.712 -0.301 -0.725) 3.794 10.310 ( 1.427 3.756 -1.018) 4.145======================= Grid point 258 (123/140) =======================q-point: ( 0.33 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.544 ( 1.766 -1.666 -1.993) 3.141 0.580 ( 3.018 -4.760 -2.002) 5.981 0.762 ( 3.659 -2.981 -0.745) 4.778 0.820 ( 1.407 -0.235 2.020) 2.473 0.839 ( 2.172 -0.964 0.484) 2.425 0.895 ( 2.759 3.189 1.312) 4.416 0.990 ( 0.712 -1.208 -2.020) 2.459 1.144 ( 3.750 -2.546 -1.021) 4.646 1.163 ( 0.763 -2.067 1.236) 2.526 1.332 ( 1.233 -0.926 0.050) 1.543 1.390 ( 4.005 -4.414 -4.572) 7.512 1.438 ( 0.109 -3.927 2.362) 4.584 1.597 ( 1.129 1.599 3.527) 4.034 1.765 ( -3.078 -1.975 -2.928) 4.685 1.822 ( 2.219 -16.855 0.969) 17.028 1.949 ( -5.167 2.030 -1.858) 5.854 2.115 ( -2.215 0.639 -0.600) 2.382 2.207 ( -2.198 -2.798 5.771) 6.780 2.385 ( -3.969 -1.450 2.933) 5.144 2.584 ( -3.911 -1.407 -0.388) 4.174 2.654 ( 1.822 -11.578 -0.006) 11.721 2.806 ( -1.010 0.525 -0.392) 1.204 2.852 ( -1.127 -4.593 -5.247) 7.064 3.244 ( 4.785 -1.941 7.337) 8.972 3.544 ( 0.541 2.334 0.148) 2.400 3.601 ( -0.532 1.686 1.500) 2.318 4.317 ( -0.637 2.658 -4.130) 4.953 4.707 ( 4.272 4.895 0.456) 6.513 4.964 ( 0.840 -3.491 0.862) 3.693 5.300 ( 6.457 4.396 -0.965) 7.870 5.567 ( 1.009 7.061 -1.075) 7.213 8.314 ( -0.368 0.396 -0.623) 0.825 8.446 ( -0.091 -3.739 -0.135) 3.743 8.670 ( 1.032 -0.143 0.062) 1.043 9.258 ( -0.186 3.686 -0.127) 3.692 10.027 ( 3.464 2.841 0.006) 4.480 10.123 ( -0.655 -1.216 0.895) 1.646 10.211 ( -2.217 -1.139 -0.171) 2.498 10.249 ( 0.772 4.048 -0.998) 4.240======================= Grid point 259 (124/140) =======================q-point: ( 0.44 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( 2.185 0.559 -1.384) 2.647 0.680 ( 1.933 -3.424 -0.933) 4.041 0.811 ( 0.977 -0.534 1.484) 1.855 0.837 ( 1.368 0.064 -1.750) 2.222 0.880 ( 2.086 1.764 1.201) 2.984 0.885 ( 1.636 -1.013 1.154) 2.244 1.013 ( 0.594 -1.452 -2.153) 2.664 1.183 ( -0.860 -0.091 0.834) 1.201 1.200 ( -0.280 -1.313 0.716) 1.521 1.340 ( 0.174 0.182 -0.605) 0.655 1.475 ( 5.365 -0.846 -1.646) 5.675 1.497 ( 0.326 -2.611 -0.389) 2.660 1.586 ( 0.840 1.978 3.124) 3.792 1.792 ( -3.216 -4.059 -0.885) 5.253 1.871 ( -2.099 -0.466 -3.671) 4.255 2.009 ( 0.158 -1.035 -3.326) 3.487 2.155 ( -2.187 -8.910 1.156) 9.247 2.264 ( -1.674 -3.305 7.952) 8.773 2.433 ( -0.486 -5.518 3.196) 6.395 2.562 ( -2.807 -0.613 -0.606) 2.936 2.795 ( -0.515 -0.556 -0.329) 0.826 2.860 ( 0.681 -8.930 -1.401) 9.065 2.879 ( -0.739 -2.967 -3.778) 4.860 3.334 ( 2.964 -1.398 4.801) 5.813 3.519 ( -0.277 0.498 1.317) 1.435 3.577 ( 1.027 1.921 -1.194) 2.484 4.261 ( -0.187 1.892 -3.114) 3.649 4.667 ( 2.729 4.065 0.167) 4.899 5.023 ( -0.681 -3.062 0.602) 3.194 5.271 ( 5.433 5.555 -1.160) 7.856 5.450 ( 0.922 7.337 -0.257) 7.399 8.309 ( 1.079 0.326 -0.502) 1.234 8.509 ( 0.709 -3.061 0.656) 3.210 8.677 ( -1.320 -0.902 -0.465) 1.665 9.197 ( -0.142 2.971 -0.079) 2.975 9.979 ( 1.194 5.221 0.165) 5.358 10.123 ( -0.096 -0.312 0.665) 0.741 10.179 ( -3.940 1.084 -2.323) 4.701 10.252 ( 3.328 -0.740 1.660) 3.792======================= Grid point 260 (125/140) =======================q-point: ( 0.56 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.558 ( 1.064 1.179 0.097) 1.591 0.721 ( 0.874 -0.006 -0.204) 0.898 0.817 ( 0.611 0.711 -0.891) 1.293 0.843 ( -0.093 -0.208 0.373) 0.437 0.877 ( 1.692 1.394 -0.306) 2.213 0.903 ( 1.104 0.730 0.607) 1.456 1.023 ( -1.064 -0.326 -1.405) 1.792 1.145 ( -4.291 0.827 0.409) 4.389 1.204 ( -1.113 0.330 0.982) 1.521 1.333 ( -0.494 0.244 -1.475) 1.574 1.506 ( 1.995 1.833 0.129) 2.712 1.529 ( 2.294 0.867 2.240) 3.321 1.589 ( 2.196 -0.916 0.596) 2.453 1.799 ( -1.529 -1.949 -2.229) 3.333 1.898 ( -0.080 -1.607 2.638) 3.090 2.009 ( -2.496 -3.443 -6.593) 7.845 2.188 ( -1.961 -0.160 0.734) 2.100 2.362 ( 0.770 -2.311 5.176) 5.721 2.533 ( -0.528 -3.898 -0.938) 4.044 2.555 ( 0.691 -1.409 0.935) 1.827 2.803 ( -1.130 -0.040 1.151) 1.614 2.874 ( -0.342 -2.181 -3.725) 4.330 2.990 ( 0.339 -3.498 -0.062) 3.515 3.377 ( 2.183 0.691 2.660) 3.510 3.526 ( -0.211 -0.558 0.864) 1.050 3.545 ( 0.231 2.099 -1.472) 2.574 4.233 ( -0.046 0.449 -1.078) 1.169 4.626 ( 0.919 2.964 0.008) 3.104 5.055 ( -2.095 -2.158 0.294) 3.022 5.216 ( 3.377 5.718 -1.270) 6.761 5.358 ( 0.368 3.612 0.520) 3.668 8.320 ( 2.433 0.241 -0.418) 2.481 8.558 ( 1.477 -0.782 1.791) 2.450 8.668 ( -3.448 -1.035 -1.151) 3.780 9.161 ( -0.067 1.063 -0.049) 1.067 9.911 ( 0.338 2.836 0.094) 2.857 10.101 ( -5.293 0.485 -1.228) 5.455 10.156 ( 2.521 -0.381 0.220) 2.559 10.295 ( 2.223 -0.282 1.002) 2.455======================= Grid point 261 (126/140) =======================q-point: (-0.33 0.11 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.545 ( 0.302 1.280 1.138) 1.739 0.701 ( -0.496 2.640 0.384) 2.714 0.801 ( -0.016 0.843 -2.171) 2.329 0.831 ( -0.900 1.247 0.218) 1.553 0.852 ( -0.512 2.312 -1.011) 2.575 0.884 ( 0.884 3.222 1.159) 3.537 0.996 ( -2.277 0.325 0.986) 2.503 1.113 ( -1.953 -1.336 -1.583) 2.847 1.173 ( -1.636 1.895 0.706) 2.601 1.303 ( -1.907 1.333 -1.565) 2.805 1.449 ( -1.303 4.335 1.492) 4.766 1.559 ( 3.085 0.330 0.944) 3.243 1.638 ( 3.068 -0.607 1.614) 3.520 1.820 ( 0.346 -1.552 -1.717) 2.340 1.937 ( -0.319 -2.381 3.651) 4.370 1.993 ( -2.833 0.470 -2.152) 3.588 2.197 ( -0.032 -2.595 -5.308) 5.908 2.351 ( 1.040 4.922 2.712) 5.715 2.526 ( 0.471 2.228 -2.359) 3.279 2.630 ( 2.624 -2.761 1.290) 4.022 2.775 ( -2.335 0.799 0.694) 2.564 2.921 ( 0.649 -2.777 -0.298) 2.867 2.978 ( -0.167 5.019 -0.031) 5.022 3.368 ( 2.390 4.452 1.129) 5.177 3.501 ( -0.723 1.801 -1.299) 2.335 3.530 ( -1.028 -0.779 -0.024) 1.290 4.238 ( -0.426 -1.363 0.441) 1.495 4.588 ( -0.558 1.577 -0.128) 1.678 5.056 ( -2.301 -0.318 -0.402) 2.357 5.145 ( 0.639 3.967 -0.485) 4.047 5.356 ( 0.185 -2.794 0.749) 2.899 8.344 ( 3.123 0.265 -0.369) 3.156 8.574 ( 0.493 0.814 2.148) 2.349 8.633 ( -3.123 0.877 -1.219) 3.465 9.162 ( -0.060 -1.241 -0.046) 1.243 9.905 ( 0.249 -1.668 0.515) 1.764 10.039 ( -5.347 -0.543 -2.067) 5.759 10.198 ( 3.832 -0.139 1.594) 4.152 10.309 ( 0.637 0.454 0.098) 0.788======================= Grid point 262 (127/140) =======================q-point: (-0.22 0.11 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.534 ( -0.132 0.471 1.183) 1.280 0.625 ( -1.165 5.220 -0.063) 5.349 0.771 ( -0.551 3.151 0.453) 3.231 0.780 ( -2.094 2.568 3.658) 4.935 0.799 ( 0.160 1.666 -4.847) 5.127 0.841 ( 0.078 2.365 0.295) 2.385 0.991 ( -0.550 -0.514 0.568) 0.943 1.108 ( -1.446 2.529 0.343) 2.933 1.138 ( 0.252 -1.357 -1.035) 1.725 1.248 ( -2.194 1.999 -0.987) 3.128 1.360 ( -1.544 4.812 1.252) 5.206 1.559 ( 0.233 1.725 -0.918) 1.968 1.661 ( 3.222 3.479 2.287) 5.264 1.843 ( 0.987 -0.827 -0.129) 1.294 1.882 ( -3.684 5.474 -1.439) 6.754 2.046 ( 2.377 -4.577 3.603) 6.291 2.175 ( -0.988 3.918 -5.362) 6.714 2.291 ( 1.950 3.506 1.361) 4.236 2.489 ( 0.969 0.462 -1.344) 1.720 2.691 ( 3.458 -0.326 -1.016) 3.618 2.758 ( -2.948 -1.875 1.774) 3.919 2.830 ( -0.284 11.548 0.059) 11.551 2.953 ( 0.480 0.094 0.441) 0.659 3.259 ( 0.938 10.213 -0.838) 10.290 3.488 ( -0.501 -1.323 -0.247) 1.436 3.545 ( -0.584 -2.561 -0.757) 2.733 4.266 ( -1.007 -2.297 0.637) 2.587 4.565 ( -1.068 0.078 -0.177) 1.085 5.000 ( -0.806 4.495 -0.727) 4.624 5.124 ( -1.325 -1.719 0.254) 2.185 5.448 ( 0.125 -7.038 0.532) 7.059 8.365 ( 2.180 0.413 -0.267) 2.234 8.557 ( 0.860 3.565 1.769) 4.071 8.579 ( -2.832 0.365 -1.127) 3.070 9.198 ( -0.112 -2.998 -0.044) 3.000 9.955 ( 0.536 -1.694 1.718) 2.472 10.022 ( -3.230 -4.675 -2.287) 6.125 10.236 ( 2.784 0.847 1.594) 3.317 10.298 ( -0.444 0.448 -0.524) 0.821======================= Grid point 263 (128/140) =======================q-point: (-0.11 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.511 ( -0.000 7.645 0.000) 7.645 0.538 ( 0.000 -0.948 0.000) 0.948 0.716 ( -0.000 3.544 0.000) 3.544 0.721 ( -0.000 2.767 -0.000) 2.767 0.778 ( -0.000 0.079 -0.000) 0.079 0.813 ( 0.000 0.906 0.000) 0.906 0.992 ( 0.000 0.308 0.000) 0.308 1.037 ( 0.000 4.596 0.000) 4.596 1.178 ( 0.000 -2.371 0.000) 2.371 1.188 ( -0.000 3.456 -0.000) 3.456 1.282 ( 0.000 3.020 0.000) 3.020 1.514 ( 0.000 4.062 0.000) 4.062 1.575 ( -0.000 7.738 0.000) 7.738 1.703 ( 0.000 12.665 0.000) 12.665 1.867 ( -0.000 -0.969 0.000) 0.969 2.050 ( -0.000 6.088 0.000) 6.088 2.170 ( -0.000 -6.335 0.000) 6.335 2.281 ( -0.000 -0.815 0.000) 0.815 2.532 ( -0.000 -3.915 0.000) 3.915 2.607 ( -0.000 12.505 0.000) 12.505 2.710 ( -0.000 0.447 0.000) 0.447 2.787 ( 0.000 -2.292 0.000) 2.292 2.932 ( -0.000 2.464 0.000) 2.464 3.063 ( 0.000 12.497 0.000) 12.497 3.508 ( -0.000 -0.925 0.000) 0.925 3.620 ( -0.000 -6.608 0.000) 6.608 4.297 ( -0.000 -2.030 0.000) 2.030 4.567 ( -0.000 -1.103 0.000) 1.103 4.909 ( 0.000 5.157 0.000) 5.157 5.159 ( -0.000 -2.934 0.000) 2.934 5.577 ( -0.000 -7.448 0.000) 7.448 8.368 ( 0.000 0.278 0.000) 0.278 8.483 ( 0.000 4.925 0.000) 4.925 8.573 ( 0.000 -0.835 0.000) 0.835 9.254 ( -0.000 -3.476 0.000) 3.476 9.976 ( 0.000 -1.249 0.000) 1.249 10.110 ( -0.000 -6.170 0.000) 6.170 10.209 ( 0.000 3.562 0.000) 3.562 10.306 ( -0.000 -1.404 0.000) 1.404======================= Grid point 267 (129/140) =======================q-point: ( 0.22 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.336 ( 5.202 0.000 2.354) 5.710 0.570 ( 0.716 0.000 -4.631) 4.686 0.677 ( 7.715 0.000 -4.587) 8.976 0.818 ( 1.228 0.000 3.986) 4.171 0.821 ( 1.666 0.000 -0.175) 1.675 0.964 ( 1.520 0.000 -2.754) 3.145 1.018 ( 5.410 0.000 1.140) 5.529 1.091 ( 6.595 0.000 0.417) 6.608 1.109 ( -5.960 -0.000 0.232) 5.964 1.112 ( 1.281 0.000 -0.317) 1.320 1.341 ( 3.906 0.000 -3.794) 5.445 1.423 ( 0.905 0.000 1.796) 2.011 1.430 ( 5.461 0.000 3.096) 6.277 1.621 ( 1.156 0.000 3.941) 4.107 1.764 ( -2.598 -0.000 -3.709) 4.528 1.947 ( -3.456 -0.000 -0.257) 3.465 2.144 ( -5.240 -0.000 3.032) 6.054 2.216 ( -5.230 -0.000 7.122) 8.836 2.372 ( -3.140 -0.000 -8.627) 9.181 2.404 ( 3.685 0.000 -0.427) 3.710 2.540 ( -4.112 -0.000 1.113) 4.260 2.731 ( -1.074 -0.000 -0.333) 1.124 2.824 ( -1.871 -0.000 -1.664) 2.504 3.223 ( 6.692 0.000 8.513) 10.828 3.593 ( 4.049 0.000 -3.472) 5.334 3.637 ( -5.809 -0.000 6.910) 9.027 4.371 ( -1.986 -0.000 -4.488) 4.908 4.856 ( 2.811 0.000 2.159) 3.545 4.865 ( 2.887 0.000 -0.191) 2.893 5.383 ( 7.436 0.000 -1.064) 7.512 5.702 ( 1.129 0.000 -1.349) 1.759 8.322 ( -0.236 -0.000 -0.975) 1.003 8.372 ( 0.024 0.000 0.024) 0.034 8.672 ( 1.045 0.000 0.123) 1.052 9.338 ( -0.323 -0.000 -0.182) 0.370 10.063 ( 0.008 0.000 0.012) 0.014 10.082 ( 6.694 0.000 1.709) 6.908 10.196 ( -4.318 -0.000 -0.715) 4.377 10.346 ( 0.063 0.000 -1.574) 1.575======================= Grid point 268 (130/140) =======================q-point: ( 0.33 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.466 ( 2.885 -6.993 1.633) 7.739 0.580 ( 3.533 -0.537 -3.918) 5.303 0.760 ( 6.285 -2.216 -3.025) 7.319 0.840 ( 1.202 -0.759 -0.650) 1.563 0.843 ( 1.543 0.049 2.671) 3.085 0.962 ( 0.423 0.782 -1.273) 1.552 1.010 ( 1.886 3.184 1.694) 4.070 1.103 ( -1.613 -4.027 1.237) 4.511 1.135 ( -0.527 -1.947 0.001) 2.017 1.240 ( 4.066 -7.432 -0.942) 8.524 1.361 ( 2.157 0.194 -2.393) 3.227 1.482 ( 5.095 0.155 0.512) 5.123 1.559 ( 0.546 -13.260 1.005) 13.310 1.642 ( 1.848 0.160 2.859) 3.408 1.719 ( -1.695 1.333 -2.670) 3.432 1.897 ( -7.400 -0.044 -0.754) 7.439 2.129 ( -0.498 -0.389 2.529) 2.607 2.175 ( -2.923 1.688 5.048) 6.073 2.337 ( -1.975 -1.655 -1.557) 3.010 2.493 ( 0.742 -5.154 -0.728) 5.258 2.532 ( -1.601 -3.893 0.132) 4.212 2.750 ( -0.975 -3.524 -1.541) 3.968 2.795 ( -2.162 0.146 -1.892) 2.877 3.310 ( 5.372 -0.007 7.586) 9.296 3.581 ( -2.684 2.150 2.824) 4.450 3.621 ( 1.925 0.369 -1.700) 2.595 4.322 ( -1.708 1.227 -5.404) 5.799 4.828 ( 2.944 4.299 0.207) 5.215 4.928 ( 1.530 -2.403 0.277) 2.862 5.430 ( 7.477 2.911 -1.191) 8.112 5.677 ( 1.748 4.300 -0.582) 4.678 8.322 ( 1.387 0.350 -0.690) 1.588 8.393 ( 0.177 -2.451 0.126) 2.461 8.672 ( -0.848 0.188 -0.094) 0.874 9.310 ( -0.237 2.609 -0.162) 2.625 10.073 ( 0.640 -0.858 -0.161) 1.082 10.122 ( -0.948 1.059 0.734) 1.600 10.181 ( 2.431 -0.299 1.714) 2.989 10.309 ( -0.775 2.683 -1.734) 3.287======================= Grid point 269 (131/140) =======================q-point: ( 0.44 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.578 ( 2.608 -1.694 -1.305) 3.373 0.635 ( 3.159 -3.544 -0.604) 4.786 0.825 ( 2.901 -0.333 -0.304) 2.936 0.855 ( 0.951 0.578 -0.021) 1.113 0.879 ( 2.236 -1.841 -0.657) 2.970 0.942 ( 1.313 1.898 0.494) 2.360 0.999 ( 0.395 0.191 0.384) 0.583 1.126 ( -4.938 -1.731 0.466) 5.253 1.184 ( 1.118 -2.903 0.860) 3.227 1.345 ( 0.362 0.577 -0.852) 1.091 1.409 ( 1.016 -7.720 -0.621) 7.811 1.530 ( 5.314 -0.028 -1.676) 5.572 1.653 ( 1.797 1.370 2.640) 3.475 1.687 ( -1.199 -0.843 -1.863) 2.371 1.808 ( -5.583 -1.233 -3.313) 6.608 1.865 ( 0.310 -16.702 1.330) 16.758 2.077 ( -1.264 3.870 0.349) 4.087 2.210 ( -1.669 -3.752 5.794) 7.101 2.375 ( 0.338 -3.176 2.866) 4.291 2.505 ( -3.311 -2.037 -0.771) 3.963 2.693 ( 1.837 -10.530 -0.181) 10.690 2.771 ( -1.785 -0.701 -2.201) 2.919 2.801 ( -0.805 -3.810 -2.667) 4.720 3.378 ( 3.914 0.062 5.797) 6.995 3.530 ( -2.166 1.495 1.968) 3.286 3.618 ( 2.158 1.701 -2.455) 3.685 4.272 ( -0.589 1.270 -4.128) 4.359 4.777 ( 2.598 5.050 0.014) 5.679 4.979 ( 0.443 -2.262 0.157) 2.311 5.423 ( 6.225 5.597 -1.312) 8.473 5.590 ( 1.247 7.442 0.134) 7.547 8.334 ( 2.823 0.516 -0.381) 2.895 8.456 ( 0.778 -4.128 0.551) 4.237 8.648 ( -3.007 0.200 -0.489) 3.053 9.253 ( -0.114 3.619 -0.077) 3.622 10.059 ( -1.346 2.707 -0.369) 3.046 10.120 ( 1.136 -1.642 0.779) 2.143 10.167 ( -1.618 3.909 -0.321) 4.242 10.283 ( 2.129 0.152 0.441) 2.180======================= Grid point 270 (132/140) =======================q-point: ( 0.56 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.594 ( 1.763 1.092 -0.483) 2.129 0.715 ( 1.849 -2.103 -0.365) 2.824 0.839 ( 0.419 1.335 -0.124) 1.405 0.845 ( 0.570 0.197 -0.316) 0.681 0.907 ( 0.634 0.574 0.661) 1.081 0.942 ( 3.131 0.982 -0.241) 3.290 1.004 ( -0.268 -0.496 -0.720) 0.914 1.089 ( -5.771 -0.560 0.534) 5.823 1.227 ( 1.660 0.273 0.733) 1.835 1.321 ( -1.583 0.516 -0.883) 1.885 1.534 ( 1.975 -4.524 2.372) 5.477 1.570 ( 4.504 0.647 -2.679) 5.280 1.628 ( 0.219 3.527 3.703) 5.119 1.723 ( -1.807 -5.121 -2.279) 5.890 1.778 ( -3.680 -4.198 -4.625) 7.249 1.992 ( -0.081 2.838 -0.515) 2.885 2.130 ( -1.395 -7.621 1.016) 7.814 2.294 ( 0.111 -7.259 5.671) 9.212 2.451 ( 0.157 -3.770 0.004) 3.773 2.519 ( -1.229 -2.806 0.963) 3.211 2.777 ( -1.081 -2.316 0.246) 2.567 2.819 ( -0.738 -2.001 -4.221) 4.730 2.886 ( 0.819 -8.578 -0.146) 8.618 3.422 ( 2.741 0.514 3.446) 4.433 3.510 ( -1.306 -0.461 1.203) 1.834 3.591 ( 1.278 2.673 -1.866) 3.502 4.241 ( -0.023 0.941 -2.031) 2.239 4.711 ( 1.551 5.139 0.029) 5.368 5.011 ( -0.607 -1.602 0.090) 1.715 5.360 ( 3.986 7.216 -1.349) 8.353 5.466 ( 0.402 7.779 0.633) 7.815 8.358 ( 3.935 0.551 -0.162) 3.977 8.542 ( 1.468 -3.983 1.228) 4.419 8.606 ( -4.825 -0.240 -0.975) 4.929 9.195 ( -0.049 2.935 -0.036) 2.936 9.987 ( -0.038 4.802 0.025) 4.802 10.068 ( -4.377 2.495 -1.718) 5.323 10.176 ( 3.297 -1.343 1.628) 3.915 10.305 ( 0.872 -0.296 0.228) 0.949======================= Grid point 271 (133/140) =======================q-point: (-0.33 0.22 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.583 ( 0.931 1.750 0.407) 2.023 0.732 ( 0.322 1.055 -0.395) 1.172 0.813 ( -0.258 1.353 -0.240) 1.399 0.839 ( -0.431 0.728 -0.236) 0.879 0.888 ( -0.096 2.088 -0.028) 2.090 0.948 ( 2.435 2.010 -0.481) 3.194 0.990 ( -1.588 0.990 0.872) 2.064 1.061 ( -2.376 -1.690 -0.563) 2.969 1.209 ( 0.432 2.845 0.397) 2.905 1.299 ( -1.364 0.269 -0.856) 1.632 1.529 ( 0.357 5.337 0.326) 5.359 1.613 ( 2.989 1.228 2.224) 3.923 1.633 ( 1.805 -3.038 0.961) 3.662 1.780 ( 0.324 -3.136 -0.278) 3.165 1.836 ( -4.649 -7.849 -3.295) 9.699 1.959 ( 0.079 0.266 -0.806) 0.852 2.163 ( -0.633 -0.463 -0.137) 0.796 2.417 ( 1.057 -0.031 4.837) 4.951 2.493 ( -1.019 -4.450 -3.786) 5.930 2.591 ( 0.921 -4.487 1.315) 4.765 2.785 ( -1.043 1.737 0.816) 2.184 2.851 ( 0.031 -4.965 -2.070) 5.379 2.995 ( 0.139 -2.959 -0.033) 2.963 3.445 ( 2.532 0.967 2.495) 3.684 3.504 ( -1.767 0.353 -1.004) 2.062 3.547 ( 0.408 2.761 -0.557) 2.847 4.227 ( -0.013 0.135 -0.437) 0.457 4.640 ( 0.404 4.293 -0.007) 4.312 5.023 ( -0.947 -0.885 -0.016) 1.297 5.257 ( 1.314 7.396 -0.750) 7.549 5.368 ( 0.200 3.689 0.490) 3.727 8.387 ( 3.730 0.802 -0.069) 3.816 8.555 ( -4.106 -0.221 -0.004) 4.112 8.618 ( 0.839 -2.209 0.358) 2.390 9.160 ( -0.020 1.067 -0.022) 1.067 9.915 ( 0.073 2.803 0.001) 2.804 9.998 ( -2.928 0.990 -1.068) 3.270 10.236 ( 3.631 -0.775 1.718) 4.091 10.306 ( -1.171 -0.097 -0.686) 1.361======================= Grid point 272 (134/140) =======================q-point: (-0.22 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.557 ( -0.000 1.780 0.000) 1.780 0.692 ( 0.000 3.458 0.000) 3.458 0.790 ( -0.000 1.086 0.000) 1.086 0.817 ( 0.000 1.436 -0.000) 1.436 0.839 ( -0.000 3.309 0.000) 3.309 0.904 ( 0.000 4.043 0.000) 4.043 0.979 ( 0.000 -0.411 0.000) 0.411 1.086 ( -0.000 -2.322 0.000) 2.322 1.162 ( -0.000 2.737 0.000) 2.737 1.272 ( -0.000 1.900 0.000) 1.900 1.440 ( 0.000 5.181 0.000) 5.181 1.597 ( -0.000 2.255 0.000) 2.255 1.692 ( -0.000 -1.601 0.000) 1.601 1.825 ( -0.000 -1.815 0.000) 1.815 1.893 ( -0.000 -1.502 0.000) 1.502 1.987 ( -0.000 -3.528 0.000) 3.528 2.174 ( -0.000 -1.294 0.000) 1.294 2.378 ( -0.000 4.471 -0.000) 4.471 2.516 ( -0.000 1.187 0.000) 1.187 2.675 ( -0.000 -4.274 0.000) 4.274 2.741 ( 0.000 2.199 0.000) 2.199 2.927 ( -0.000 -3.499 0.000) 3.499 2.976 ( -0.000 5.258 0.000) 5.258 3.415 ( 0.000 6.785 0.000) 6.785 3.473 ( -0.000 -0.062 0.000) 0.062 3.520 ( -0.000 0.147 0.000) 0.147 4.234 ( -0.000 -1.098 0.000) 1.098 4.583 ( -0.000 2.464 0.000) 2.464 5.028 ( -0.000 -0.208 0.000) 0.208 5.150 ( -0.000 5.208 0.000) 5.208 5.362 ( -0.000 -2.702 0.000) 2.702 8.391 ( -0.000 1.035 0.000) 1.035 8.542 ( 0.000 -0.880 0.000) 0.880 8.627 ( 0.000 1.919 0.000) 1.919 9.161 ( -0.000 -1.199 0.000) 1.199 9.915 ( 0.000 -2.775 0.000) 2.775 9.968 ( -0.000 0.541 0.000) 0.541 10.275 ( 0.000 0.231 0.000) 0.231 10.287 ( -0.000 0.041 -0.000) 0.041======================= Grid point 278 (135/140) =======================q-point: ( 0.33 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.432 ( 2.269 0.000 2.861) 3.651 0.599 ( 4.357 0.000 -3.183) 5.396 0.797 ( 7.346 0.000 -4.613) 8.674 0.838 ( 0.571 0.000 -1.495) 1.600 0.867 ( 1.358 0.000 2.379) 2.739 0.966 ( -0.365 -0.000 0.129) 0.387 0.998 ( -4.381 -0.000 -0.292) 4.391 1.072 ( -3.667 -0.000 1.494) 3.960 1.119 ( 3.816 0.000 1.021) 3.951 1.232 ( 3.348 0.000 1.339) 3.605 1.375 ( 1.195 0.000 -1.702) 2.080 1.445 ( 0.247 0.000 1.229) 1.253 1.520 ( 3.403 0.000 -2.953) 4.505 1.676 ( 3.866 0.000 -0.825) 3.954 1.736 ( 1.115 0.000 2.030) 2.316 1.812 ( -8.604 -0.000 0.330) 8.611 2.118 ( -0.459 -0.000 3.865) 3.892 2.217 ( -0.705 -0.000 7.856) 7.888 2.275 ( -1.556 -0.000 -7.366) 7.529 2.466 ( -3.311 -0.000 -0.414) 3.337 2.479 ( 3.683 0.000 -0.241) 3.690 2.708 ( -0.647 -0.000 -1.391) 1.534 2.766 ( -2.761 -0.000 -0.875) 2.896 3.384 ( 4.293 0.000 6.661) 7.925 3.573 ( -4.050 -0.000 3.478) 5.338 3.645 ( 3.356 0.000 -3.687) 4.985 4.297 ( -1.340 -0.000 -5.345) 5.511 4.892 ( 0.861 0.000 -0.003) 0.861 4.920 ( 2.576 0.000 -0.170) 2.581 5.526 ( 7.227 0.000 -1.292) 7.342 5.732 ( 1.688 0.000 0.081) 1.690 8.348 ( 3.260 0.000 -0.184) 3.265 8.372 ( 0.025 0.000 0.031) 0.040 8.656 ( -2.740 -0.000 -0.336) 2.761 9.331 ( -0.178 -0.000 -0.129) 0.220 10.063 ( 0.007 0.000 0.007) 0.010 10.105 ( -2.603 -0.000 0.315) 2.622 10.244 ( 5.246 0.000 2.921) 6.004 10.308 ( -2.048 -0.000 -2.263) 3.052======================= Grid point 279 (136/140) =======================q-point: ( 0.44 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.528 ( 2.710 -6.220 1.386) 6.925 0.632 ( 2.114 -0.602 -1.719) 2.790 0.844 ( 1.187 -0.325 -1.135) 1.675 0.862 ( 3.941 -1.003 -2.519) 4.784 0.883 ( 1.865 -0.168 -0.292) 1.895 0.958 ( -0.772 0.193 0.843) 1.159 1.001 ( -1.837 -2.142 1.026) 3.002 1.044 ( -3.577 -1.350 0.820) 3.910 1.162 ( 2.302 -1.031 0.697) 2.617 1.285 ( -0.649 -4.668 0.564) 4.747 1.368 ( 0.151 1.110 -0.859) 1.412 1.542 ( 1.615 -0.787 -2.797) 3.324 1.573 ( 0.470 -13.237 0.537) 13.257 1.699 ( 4.336 1.219 -2.196) 5.011 1.733 ( -4.791 -0.131 0.799) 4.859 1.752 ( 0.194 1.519 2.679) 3.086 2.152 ( 0.941 3.499 -1.013) 3.762 2.158 ( -1.867 -1.086 5.739) 6.132 2.318 ( -0.182 -4.726 0.153) 4.732 2.442 ( -2.343 -1.131 -0.816) 2.726 2.569 ( 2.204 -6.304 0.240) 6.683 2.714 ( -0.923 -1.886 -4.435) 4.907 2.749 ( -1.694 -1.284 1.491) 2.596 3.436 ( 2.931 0.340 4.860) 5.685 3.536 ( -2.520 1.214 1.755) 3.302 3.655 ( 2.243 0.943 -2.805) 3.713 4.268 ( -0.450 0.479 -3.676) 3.734 4.868 ( 1.245 3.231 -0.132) 3.465 4.956 ( 1.181 -1.360 -0.073) 1.803 5.558 ( 5.665 3.494 -1.236) 6.769 5.706 ( 0.829 4.543 0.489) 4.644 8.374 ( 2.859 0.174 0.130) 2.867 8.406 ( 1.914 -2.468 0.194) 3.129 8.616 ( -4.392 0.315 -0.586) 4.442 9.306 ( -0.150 2.535 -0.092) 2.542 10.059 ( -1.366 0.560 -0.293) 1.505 10.104 ( 0.570 -1.555 1.215) 2.054 10.233 ( -1.743 3.609 -1.275) 4.206 10.307 ( 2.607 0.303 1.075) 2.836======================= Grid point 280 (137/140) =======================q-point: ( 0.56 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.617 ( 1.417 -0.167 -0.400) 1.481 0.683 ( 1.388 -4.147 0.099) 4.374 0.852 ( 0.360 0.069 -0.383) 0.530 0.862 ( -0.170 1.143 0.244) 1.181 0.923 ( 2.094 -0.037 -1.115) 2.373 0.961 ( 0.724 -1.356 -0.376) 1.583 1.005 ( -0.171 0.488 1.114) 1.228 1.038 ( -2.940 -0.484 0.496) 3.021 1.219 ( 1.390 -3.020 0.420) 3.351 1.334 ( -0.664 2.404 -0.506) 2.545 1.397 ( -1.357 -10.055 0.126) 10.147 1.558 ( -0.033 -1.496 -1.597) 2.188 1.683 ( -0.414 0.387 -2.291) 2.360 1.711 ( 1.005 2.444 -0.758) 2.749 1.723 ( 0.499 0.950 2.747) 2.949 1.880 ( 0.299 -18.001 0.307) 18.006 2.061 ( -0.489 4.730 0.085) 4.756 2.221 ( -0.361 -3.435 2.951) 4.543 2.397 ( 0.215 -4.014 0.393) 4.039 2.456 ( -1.088 -2.888 0.055) 3.087 2.714 ( 0.408 -6.039 -1.282) 6.187 2.725 ( -0.793 -4.959 -0.743) 5.077 2.785 ( -0.105 -3.238 -0.279) 3.251 3.465 ( 1.948 0.414 2.285) 3.031 3.502 ( -1.460 0.884 0.793) 1.882 3.638 ( 1.008 2.080 -1.412) 2.708 4.248 ( -0.024 0.639 -1.552) 1.679 4.810 ( 0.846 4.821 -0.030) 4.895 4.986 ( 0.189 -1.311 -0.018) 1.324 5.512 ( 3.016 6.577 -0.911) 7.293 5.606 ( 0.028 7.694 0.538) 7.712 8.407 ( 3.524 -0.048 0.363) 3.542 8.480 ( 1.780 -3.846 -0.013) 4.238 8.559 ( -5.021 0.307 -0.382) 5.045 9.251 ( -0.063 3.548 -0.034) 3.549 10.028 ( -0.887 1.404 -0.085) 1.663 10.113 ( -0.972 5.145 -0.471) 5.257 10.174 ( 0.892 -1.975 0.510) 2.226 10.317 ( 0.843 0.854 0.285) 1.234======================= Grid point 281 (138/140) =======================q-point: ( 0.67 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.612 ( -0.000 1.011 0.000) 1.011 0.735 ( -0.000 -1.075 0.000) 1.075 0.839 ( -0.000 1.561 0.000) 1.561 0.847 ( -0.000 0.529 0.000) 0.529 0.915 ( -0.000 1.212 0.000) 1.212 0.991 ( -0.000 0.963 0.000) 0.963 1.005 ( -0.000 1.643 0.000) 1.643 1.010 ( 0.000 -2.305 -0.000) 2.305 1.273 ( 0.000 3.675 0.000) 3.675 1.274 ( -0.000 -2.008 -0.000) 2.008 1.590 ( -0.000 -9.963 -0.000) 9.963 1.591 ( 0.000 -2.779 0.000) 2.779 1.641 ( -0.000 2.721 0.000) 2.721 1.664 ( -0.000 1.235 -0.000) 1.235 1.744 ( -0.000 -1.972 0.000) 1.972 1.990 ( -0.000 3.199 0.000) 3.199 2.118 ( -0.000 -7.005 0.000) 7.005 2.322 ( -0.000 -9.677 0.000) 9.677 2.441 ( -0.000 -1.032 -0.000) 1.032 2.518 ( -0.000 -4.568 0.000) 4.568 2.765 ( -0.000 -4.091 0.000) 4.091 2.797 ( -0.000 -0.629 0.000) 0.629 2.895 ( -0.000 -8.276 0.000) 8.276 3.474 ( -0.000 0.703 0.000) 0.703 3.489 ( -0.000 -0.578 0.000) 0.578 3.598 ( -0.000 2.927 0.000) 2.927 4.234 ( -0.000 0.678 0.000) 0.678 4.727 ( -0.000 5.413 0.000) 5.413 5.005 ( -0.000 -0.955 0.000) 0.955 5.398 ( -0.000 8.167 0.000) 8.167 5.472 ( -0.000 7.716 0.000) 7.716 8.428 ( -0.000 0.800 0.000) 0.800 8.521 ( -0.000 -0.315 -0.000) 0.315 8.565 ( -0.000 -4.311 0.000) 4.311 9.195 ( -0.000 2.913 0.000) 2.913 9.998 ( 0.000 6.309 0.000) 6.309 10.001 ( -0.000 1.287 -0.000) 1.287 10.230 ( -0.000 -2.638 -0.000) 2.638 10.303 ( -0.000 0.905 0.000) 0.905======================= Grid point 289 (139/140) =======================q-point: ( 0.44 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.485 ( 1.682 0.000 1.401) 2.189 0.631 ( -0.235 -0.000 -1.384) 1.404 0.847 ( 1.437 0.000 -0.869) 1.679 0.882 ( 1.432 0.000 -1.447) 2.036 0.897 ( 2.682 0.000 -1.842) 3.253 0.945 ( -1.144 -0.000 -0.102) 1.149 0.954 ( -1.409 -0.000 2.047) 2.485 1.020 ( -1.509 -0.000 0.777) 1.697 1.178 ( 1.432 0.000 0.442) 1.499 1.251 ( -0.769 -0.000 1.093) 1.336 1.379 ( 0.215 0.000 -0.619) 0.655 1.454 ( 0.179 0.000 0.386) 0.426 1.541 ( 0.632 0.000 -1.640) 1.757 1.671 ( -4.542 -0.000 0.185) 4.545 1.746 ( 3.176 0.000 -1.591) 3.552 1.799 ( 1.678 0.000 2.440) 2.961 2.146 ( 0.024 0.000 4.526) 4.526 2.211 ( -0.430 -0.000 -5.647) 5.663 2.252 ( -0.167 -0.000 3.638) 3.642 2.413 ( -1.321 -0.000 -0.658) 1.476 2.532 ( 1.493 0.000 -0.071) 1.494 2.682 ( -0.468 -0.000 -2.365) 2.411 2.726 ( -1.132 -0.000 1.021) 1.524 3.474 ( 1.465 0.000 2.770) 3.133 3.531 ( -1.410 -0.000 0.883) 1.664 3.673 ( 1.285 0.000 -1.785) 2.199 4.259 ( -0.135 -0.000 -2.024) 2.028 4.902 ( 0.270 0.000 -0.115) 0.294 4.957 ( 1.027 0.000 -0.068) 1.029 5.632 ( 3.500 0.000 -0.828) 3.597 5.752 ( 0.137 0.000 0.475) 0.495 8.373 ( 0.011 0.000 0.015) 0.019 8.441 ( 5.526 0.000 0.636) 5.563 8.567 ( -5.380 -0.000 -0.789) 5.438 9.327 ( -0.164 -0.000 -0.087) 0.186 10.063 ( 0.003 0.000 0.002) 0.003 10.092 ( 0.381 0.000 1.169) 1.230 10.230 ( -2.381 -0.000 -1.831) 3.004 10.344 ( 2.009 0.000 1.141) 2.310======================= Grid point 290 (140/140) =======================q-point: ( 0.56 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.00e-05 2.00e-05 6.53e-05 6.53e-05 3.09e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.580 ( -0.000 -7.697 -0.000) 7.697 0.625 ( -0.000 -0.019 0.000) 0.019 0.854 ( -0.000 0.016 0.000) 0.016 0.877 ( -0.000 0.695 0.000) 0.695 0.927 ( -0.000 -1.758 0.000) 1.758 0.943 ( 0.000 0.479 -0.000) 0.479 0.986 ( -0.000 -3.945 0.000) 3.945 1.012 ( 0.000 0.224 0.000) 0.224 1.192 ( -0.000 -0.695 0.000) 0.695 1.270 ( -0.000 -3.774 0.000) 3.774 1.366 ( -0.000 1.517 0.000) 1.517 1.542 ( -0.000 -0.263 0.000) 0.263 1.581 ( -0.000 -13.743 0.000) 13.743 1.657 ( -0.000 -0.948 0.000) 0.948 1.748 ( -0.000 1.171 0.000) 1.171 1.791 ( -0.000 2.282 0.000) 2.282 2.142 ( -0.000 4.805 0.000) 4.805 2.176 ( 0.000 -2.277 -0.000) 2.277 2.315 ( -0.000 -5.122 0.000) 5.122 2.416 ( -0.000 -1.266 0.000) 1.266 2.594 ( -0.000 -5.978 0.000) 5.978 2.683 ( -0.000 -1.036 0.000) 1.036 2.739 ( -0.000 -2.010 0.000) 2.010 3.483 ( -0.000 0.250 0.000) 0.250 3.515 ( -0.000 1.131 0.000) 1.131 3.668 ( -0.000 1.045 0.000) 1.045 4.253 ( -0.000 0.292 0.000) 0.292 4.880 ( -0.000 2.765 0.000) 2.765 4.969 ( -0.000 -0.818 0.000) 0.818 5.616 ( -0.000 3.771 0.000) 3.771 5.713 ( -0.000 4.616 0.000) 4.616 8.392 ( -0.000 -2.129 0.000) 2.129 8.488 ( 0.000 -0.007 0.000) 0.007 8.519 ( -0.000 0.069 -0.000) 0.069 9.304 ( -0.000 2.463 0.000) 2.463 10.046 ( -0.000 1.348 0.000) 1.348 10.128 ( -0.000 -2.771 0.000) 2.771 10.187 ( -0.000 3.226 -0.000) 3.226 10.344 ( -0.000 1.240 -0.000) 1.240=================== 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 3/18954 10.0 4.592 1.924 4.659 -0.000 -0.143 0.000 3/18954 20.0 1.784 0.962 1.547 -0.000 -0.027 0.000 3/18954 30.0 1.073 0.706 0.903 -0.000 -0.004 0.000 3/18954 40.0 0.774 0.574 0.651 -0.000 0.002 0.000 3/18954 50.0 0.612 0.491 0.517 -0.000 0.003 0.000 3/18954 60.0 0.511 0.432 0.432 -0.000 0.004 0.000 3/18954 70.0 0.441 0.388 0.372 -0.000 0.004 0.000 3/18954 80.0 0.390 0.354 0.328 -0.000 0.004 0.000 3/18954 90.0 0.350 0.325 0.293 -0.000 0.004 0.000 3/18954 100.0 0.319 0.302 0.265 -0.000 0.004 0.000 3/18954 110.0 0.294 0.282 0.243 -0.000 0.004 0.000 3/18954 120.0 0.272 0.264 0.223 -0.000 0.004 0.000 3/18954 130.0 0.254 0.249 0.207 -0.000 0.004 0.000 3/18954 140.0 0.238 0.235 0.193 -0.000 0.004 0.000 3/18954 150.0 0.225 0.223 0.181 -0.000 0.004 0.000 3/18954 160.0 0.213 0.212 0.170 -0.000 0.004 0.000 3/18954 170.0 0.202 0.202 0.161 -0.000 0.005 0.000 3/18954 180.0 0.192 0.193 0.152 -0.000 0.005 0.000 3/18954 190.0 0.183 0.185 0.145 -0.000 0.005 0.000 3/18954 200.0 0.176 0.178 0.138 -0.000 0.005 0.000 3/18954 210.0 0.168 0.171 0.132 -0.000 0.005 0.000 3/18954 220.0 0.162 0.164 0.126 -0.000 0.005 0.000 3/18954 230.0 0.155 0.158 0.121 -0.000 0.004 0.000 3/18954 240.0 0.150 0.153 0.116 -0.000 0.004 0.000 3/18954 250.0 0.145 0.148 0.111 -0.000 0.004 0.000 3/18954 260.0 0.140 0.143 0.107 -0.000 0.004 0.000 3/18954 270.0 0.135 0.138 0.104 -0.000 0.004 0.000 3/18954 280.0 0.131 0.134 0.100 -0.000 0.004 0.000 3/18954 290.0 0.127 0.130 0.097 -0.000 0.004 0.000 3/18954 300.0 0.123 0.126 0.094 -0.000 0.004 0.000 3/18954 310.0 0.120 0.123 0.091 -0.000 0.004 0.000 3/18954 320.0 0.116 0.120 0.088 -0.000 0.004 0.000 3/18954 330.0 0.113 0.116 0.085 -0.000 0.004 0.000 3/18954 340.0 0.110 0.113 0.083 -0.000 0.004 0.000 3/18954 350.0 0.107 0.110 0.081 -0.000 0.004 0.000 3/18954 360.0 0.105 0.108 0.079 -0.000 0.004 0.000 3/18954 370.0 0.102 0.105 0.076 -0.000 0.004 0.000 3/18954 380.0 0.100 0.103 0.075 -0.000 0.004 0.000 3/18954 390.0 0.097 0.100 0.073 -0.000 0.004 0.000 3/18954 400.0 0.095 0.098 0.071 -0.000 0.004 0.000 3/18954 410.0 0.093 0.096 0.069 -0.000 0.004 0.000 3/18954 420.0 0.091 0.094 0.068 -0.000 0.004 0.000 3/18954 430.0 0.089 0.092 0.066 -0.000 0.004 0.000 3/18954 440.0 0.087 0.090 0.065 -0.000 0.004 0.000 3/18954 450.0 0.085 0.088 0.063 -0.000 0.003 0.000 3/18954 460.0 0.084 0.087 0.062 -0.000 0.003 0.000 3/18954 470.0 0.082 0.085 0.061 -0.000 0.003 0.000 3/18954 480.0 0.081 0.083 0.059 -0.000 0.003 0.000 3/18954 490.0 0.079 0.082 0.058 -0.000 0.003 0.000 3/18954 500.0 0.078 0.080 0.057 -0.000 0.003 0.000 3/18954 510.0 0.076 0.079 0.056 -0.000 0.003 0.000 3/18954 520.0 0.075 0.077 0.055 -0.000 0.003 0.000 3/18954 530.0 0.074 0.076 0.054 -0.000 0.003 0.000 3/18954 540.0 0.072 0.075 0.053 -0.000 0.003 0.000 3/18954 550.0 0.071 0.074 0.052 -0.000 0.003 0.000 3/18954 560.0 0.070 0.072 0.051 -0.000 0.003 0.000 3/18954 570.0 0.069 0.071 0.050 -0.000 0.003 0.000 3/18954 580.0 0.068 0.070 0.049 -0.000 0.003 0.000 3/18954 590.0 0.067 0.069 0.049 -0.000 0.003 0.000 3/18954 600.0 0.066 0.068 0.048 -0.000 0.003 0.000 3/18954 610.0 0.065 0.067 0.047 -0.000 0.003 0.000 3/18954 620.0 0.064 0.066 0.046 -0.000 0.003 0.000 3/18954 630.0 0.063 0.065 0.046 -0.000 0.003 0.000 3/18954 640.0 0.062 0.064 0.045 -0.000 0.003 0.000 3/18954 650.0 0.061 0.063 0.044 -0.000 0.003 0.000 3/18954 660.0 0.060 0.062 0.044 -0.000 0.003 0.000 3/18954 670.0 0.059 0.061 0.043 -0.000 0.003 0.000 3/18954 680.0 0.058 0.060 0.042 -0.000 0.003 0.000 3/18954 690.0 0.058 0.060 0.042 -0.000 0.003 0.000 3/18954 700.0 0.057 0.059 0.041 -0.000 0.003 0.000 3/18954 710.0 0.056 0.058 0.041 -0.000 0.003 0.000 3/18954 720.0 0.055 0.057 0.040 -0.000 0.003 0.000 3/18954 730.0 0.055 0.057 0.039 -0.000 0.003 0.000 3/18954 740.0 0.054 0.056 0.039 -0.000 0.003 0.000 3/18954 750.0 0.053 0.055 0.038 -0.000 0.002 0.000 3/18954 760.0 0.053 0.054 0.038 -0.000 0.002 0.000 3/18954 770.0 0.052 0.054 0.037 -0.000 0.002 0.000 3/18954 780.0 0.051 0.053 0.037 -0.000 0.002 0.000 3/18954 790.0 0.051 0.053 0.037 -0.000 0.002 0.000 3/18954 800.0 0.050 0.052 0.036 -0.000 0.002 0.000 3/18954 810.0 0.050 0.051 0.036 -0.000 0.002 0.000 3/18954 820.0 0.049 0.051 0.035 -0.000 0.002 0.000 3/18954 830.0 0.048 0.050 0.035 -0.000 0.002 0.000 3/18954 840.0 0.048 0.050 0.034 -0.000 0.002 0.000 3/18954 850.0 0.047 0.049 0.034 -0.000 0.002 0.000 3/18954 860.0 0.047 0.048 0.034 -0.000 0.002 0.000 3/18954 870.0 0.046 0.048 0.033 -0.000 0.002 0.000 3/18954 880.0 0.046 0.047 0.033 -0.000 0.002 0.000 3/18954 890.0 0.045 0.047 0.033 -0.000 0.002 0.000 3/18954 900.0 0.045 0.046 0.032 -0.000 0.002 0.000 3/18954 910.0 0.044 0.046 0.032 -0.000 0.002 0.000 3/18954 920.0 0.044 0.045 0.031 -0.000 0.002 0.000 3/18954 930.0 0.043 0.045 0.031 -0.000 0.002 0.000 3/18954 940.0 0.043 0.045 0.031 -0.000 0.002 0.000 3/18954 950.0 0.043 0.044 0.030 -0.000 0.002 0.000 3/18954 960.0 0.042 0.044 0.030 -0.000 0.002 0.000 3/18954 970.0 0.042 0.043 0.030 -0.000 0.002 0.000 3/18954 980.0 0.041 0.043 0.030 -0.000 0.002 0.000 3/18954 990.0 0.041 0.042 0.029 -0.000 0.002 0.000 3/18954 1000.0 0.041 0.042 0.029 -0.000 0.002 0.000 3/18954Thermal conductivity related properties were written into "kappa-m996.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:45:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|