----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:21:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.291529120000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.456507030000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.269300940000000 Atomic positions (fractional): *1 O 0.27984891620022 0.46203986375681 0.72093126274550 15.999 2 O 0.77984891620022 0.03796013624318 0.77906873725450 15.999 3 O 0.22015108379978 0.53796013624318 0.22093126274550 15.999 4 O 0.72015108379978 0.96203986375682 0.27906873725450 15.999 5 O 0.72015108379978 0.53796013624318 0.27906873725450 15.999 6 O 0.22015108379978 0.96203986375682 0.22093126274550 15.999 7 O 0.77984891620022 0.46203986375681 0.77906873725450 15.999 8 O 0.27984891620022 0.03796013624318 0.72093126274550 15.999 *9 O 0.48805645535467 0.25000000000000 0.07070146620723 15.999 10 O 0.98805645535466 0.25000000000000 0.42929853379277 15.999 11 O 0.01194354464533 0.75000000000000 0.57070146620723 15.999 12 O 0.51194354464534 0.75000000000000 0.92929853379277 15.999 *13 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 15 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 16 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 *17 Sm 0.96663703692242 0.75000000000000 0.00821593127368 150.360 18 Sm 0.46663703692242 0.75000000000000 0.49178406872632 150.360 19 Sm 0.53336296307758 0.25000000000000 0.50821593127368 150.360 20 Sm 0.03336296307758 0.25000000000000 0.99178406872632 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.291529120000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.456507030000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.269300940000000 Atomic positions (fractional): *1 O 0.27984891620022 0.46203986375681 0.72093126274550 15.999 > 1 2 O 0.77984891620022 0.03796013624318 0.77906873725450 15.999 > 2 3 O 0.22015108379978 0.53796013624318 0.22093126274550 15.999 > 3 4 O 0.72015108379978 0.96203986375682 0.27906873725450 15.999 > 4 5 O 0.72015108379978 0.53796013624318 0.27906873725450 15.999 > 5 6 O 0.22015108379978 0.96203986375682 0.22093126274550 15.999 > 6 7 O 0.77984891620022 0.46203986375681 0.77906873725450 15.999 > 7 8 O 0.27984891620022 0.03796013624318 0.72093126274550 15.999 > 8 *9 O 0.48805645535467 0.25000000000000 0.07070146620723 15.999 > 9 10 O 0.98805645535466 0.25000000000000 0.42929853379277 15.999 > 10 11 O 0.01194354464533 0.75000000000000 0.57070146620723 15.999 > 11 12 O 0.51194354464534 0.75000000000000 0.92929853379277 15.999 > 12 *13 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 13 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 14 15 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 15 16 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 16 *17 Sm 0.96663703692242 0.75000000000000 0.00821593127368 150.360 > 17 18 Sm 0.46663703692242 0.75000000000000 0.49178406872632 150.360 > 18 19 Sm 0.53336296307758 0.25000000000000 0.50821593127368 150.360 > 19 20 Sm 0.03336296307758 0.25000000000000 0.99178406872632 150.360 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.583058240000002 0.000000000000000 0.000000000000000 b 0.000000000000000 7.456507030000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.538601880000000 Atomic positions (fractional): *1 O 0.13992445810011 0.46203986375681 0.36046563137275 15.999 > 1 2 O 0.63992445810011 0.46203986375681 0.36046563137275 15.999 > 1 3 O 0.13992445810011 0.46203986375681 0.86046563137275 15.999 > 1 4 O 0.63992445810011 0.46203986375681 0.86046563137275 15.999 > 1 5 O 0.38992445810011 0.03796013624318 0.38953436862725 15.999 > 2 6 O 0.88992445810011 0.03796013624318 0.38953436862725 15.999 > 2 7 O 0.38992445810011 0.03796013624318 0.88953436862725 15.999 > 2 8 O 0.88992445810011 0.03796013624318 0.88953436862725 15.999 > 2 9 O 0.11007554189989 0.53796013624318 0.11046563137275 15.999 > 3 10 O 0.61007554189989 0.53796013624318 0.11046563137275 15.999 > 3 11 O 0.11007554189989 0.53796013624318 0.61046563137275 15.999 > 3 12 O 0.61007554189989 0.53796013624318 0.61046563137275 15.999 > 3 13 O 0.36007554189989 0.96203986375682 0.13953436862725 15.999 > 4 14 O 0.86007554189989 0.96203986375682 0.13953436862725 15.999 > 4 15 O 0.36007554189989 0.96203986375682 0.63953436862725 15.999 > 4 16 O 0.86007554189989 0.96203986375682 0.63953436862725 15.999 > 4 17 O 0.36007554189989 0.53796013624318 0.13953436862725 15.999 > 5 18 O 0.86007554189989 0.53796013624318 0.13953436862725 15.999 > 5 19 O 0.36007554189989 0.53796013624318 0.63953436862725 15.999 > 5 20 O 0.86007554189989 0.53796013624318 0.63953436862725 15.999 > 5 21 O 0.11007554189989 0.96203986375682 0.11046563137275 15.999 > 6 22 O 0.61007554189989 0.96203986375682 0.11046563137275 15.999 > 6 23 O 0.11007554189989 0.96203986375682 0.61046563137275 15.999 > 6 24 O 0.61007554189989 0.96203986375682 0.61046563137275 15.999 > 6 25 O 0.38992445810011 0.46203986375681 0.38953436862725 15.999 > 7 26 O 0.88992445810011 0.46203986375681 0.38953436862725 15.999 > 7 27 O 0.38992445810011 0.46203986375681 0.88953436862725 15.999 > 7 28 O 0.88992445810011 0.46203986375681 0.88953436862725 15.999 > 7 29 O 0.13992445810011 0.03796013624318 0.36046563137275 15.999 > 8 30 O 0.63992445810011 0.03796013624318 0.36046563137275 15.999 > 8 31 O 0.13992445810011 0.03796013624318 0.86046563137275 15.999 > 8 32 O 0.63992445810011 0.03796013624318 0.86046563137275 15.999 > 8 *33 O 0.24402822767733 0.25000000000000 0.03535073310362 15.999 > 9 34 O 0.74402822767733 0.25000000000000 0.03535073310362 15.999 > 9 35 O 0.24402822767733 0.25000000000000 0.53535073310362 15.999 > 9 36 O 0.74402822767733 0.25000000000000 0.53535073310362 15.999 > 9 37 O 0.49402822767733 0.25000000000000 0.21464926689638 15.999 > 10 38 O 0.99402822767733 0.25000000000000 0.21464926689638 15.999 > 10 39 O 0.49402822767733 0.25000000000000 0.71464926689638 15.999 > 10 40 O 0.99402822767733 0.25000000000000 0.71464926689638 15.999 > 10 41 O 0.00597177232267 0.75000000000000 0.28535073310362 15.999 > 11 42 O 0.50597177232267 0.75000000000000 0.28535073310362 15.999 > 11 43 O 0.00597177232267 0.75000000000000 0.78535073310362 15.999 > 11 44 O 0.50597177232267 0.75000000000000 0.78535073310362 15.999 > 11 45 O 0.25597177232267 0.75000000000000 0.46464926689638 15.999 > 12 46 O 0.75597177232267 0.75000000000000 0.46464926689638 15.999 > 12 47 O 0.25597177232267 0.75000000000000 0.96464926689638 15.999 > 12 48 O 0.75597177232267 0.75000000000000 0.96464926689638 15.999 > 12 *49 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 13 50 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 13 51 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 13 52 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 13 53 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 14 54 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 14 55 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 14 56 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 14 57 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 15 58 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 15 59 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 15 60 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 15 61 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 16 62 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 16 63 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 16 64 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 16 *65 Sm 0.48331851846121 0.75000000000000 0.00410796563684 150.360 > 17 66 Sm 0.98331851846121 0.75000000000000 0.00410796563684 150.360 > 17 67 Sm 0.48331851846121 0.75000000000000 0.50410796563684 150.360 > 17 68 Sm 0.98331851846121 0.75000000000000 0.50410796563684 150.360 > 17 69 Sm 0.23331851846121 0.75000000000000 0.24589203436316 150.360 > 18 70 Sm 0.73331851846121 0.75000000000000 0.24589203436316 150.360 > 18 71 Sm 0.23331851846121 0.75000000000000 0.74589203436316 150.360 > 18 72 Sm 0.73331851846121 0.75000000000000 0.74589203436316 150.360 > 18 73 Sm 0.26668148153879 0.25000000000000 0.25410796563684 150.360 > 19 74 Sm 0.76668148153879 0.25000000000000 0.25410796563684 150.360 > 19 75 Sm 0.26668148153879 0.25000000000000 0.75410796563684 150.360 > 19 76 Sm 0.76668148153879 0.25000000000000 0.75410796563684 150.360 > 19 77 Sm 0.01668148153879 0.25000000000000 0.49589203436316 150.360 > 20 78 Sm 0.51668148153879 0.25000000000000 0.49589203436316 150.360 > 20 79 Sm 0.01668148153879 0.25000000000000 0.99589203436316 150.360 > 20 80 Sm 0.51668148153879 0.25000000000000 0.99589203436316 150.360 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4129289 0.0000000 0.0000000 0.0000000 4.3095538 0.0000000 0.0000000 0.0000000 4.4886221 -------------------------- Born effective charges -------------------------- 1 O -2.3788664 0.0264424 -0.0029382 0.0643209 -2.2641863 0.0761716 0.0144461 0.1094152 -2.3795915 2 O -2.3788664 -0.0264424 0.0029382 -0.0643209 -2.2641863 0.0761716 -0.0144461 0.1094152 -2.3795915 3 O -2.3788664 0.0264424 0.0029382 0.0643209 -2.2641863 -0.0761716 -0.0144461 -0.1094152 -2.3795915 4 O -2.3788664 -0.0264424 -0.0029382 -0.0643209 -2.2641863 -0.0761716 0.0144461 -0.1094152 -2.3795915 5 O -2.3788664 0.0264424 -0.0029382 0.0643209 -2.2641863 0.0761716 0.0144461 0.1094152 -2.3795915 6 O -2.3788664 -0.0264424 0.0029382 -0.0643209 -2.2641863 0.0761716 -0.0144461 0.1094152 -2.3795915 7 O -2.3788664 0.0264424 0.0029382 0.0643209 -2.2641863 -0.0761716 -0.0144461 -0.1094152 -2.3795915 8 O -2.3788664 -0.0264424 -0.0029382 -0.0643209 -2.2641863 -0.0761716 0.0144461 -0.1094152 -2.3795915 9 O -2.2240428 0.0000000 -0.1217801 0.0000000 -2.3377039 0.0000000 -0.2394036 0.0000000 -2.4517043 10 O -2.2240428 0.0000000 0.1217801 0.0000000 -2.3377039 0.0000000 0.2394036 0.0000000 -2.4517043 11 O -2.2240428 0.0000000 0.1217801 0.0000000 -2.3377039 0.0000000 0.2394036 0.0000000 -2.4517043 12 O -2.2240428 0.0000000 -0.1217801 0.0000000 -2.3377039 0.0000000 -0.2394036 0.0000000 -2.4517043 13 Al 2.8965318 0.0780326 -0.1800501 -0.0104530 2.9567437 0.2466399 0.0185268 -0.1115974 2.9423755 14 Al 2.8965318 -0.0780326 0.1800501 0.0104530 2.9567437 0.2466399 -0.0185268 -0.1115974 2.9423755 15 Al 2.8965318 0.0780326 0.1800501 -0.0104530 2.9567437 -0.2466399 -0.0185268 0.1115974 2.9423755 16 Al 2.8965318 -0.0780326 -0.1800501 0.0104530 2.9567437 -0.2466399 0.0185268 0.1115974 2.9423755 17 Sm 4.0852437 0.0000000 -0.0172366 0.0000000 3.9093330 0.0000000 0.1779655 0.0000000 4.2685117 18 Sm 4.0852437 0.0000000 0.0172366 0.0000000 3.9093330 0.0000000 -0.1779655 0.0000000 4.2685117 19 Sm 4.0852437 0.0000000 0.0172366 0.0000000 3.9093330 0.0000000 -0.1779655 0.0000000 4.2685117 20 Sm 4.0852437 0.0000000 -0.0172366 0.0000000 3.9093330 0.0000000 0.1779655 0.0000000 4.2685117 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.720 Solver_block: 200 / 320 - Time: 0.725 Solver_block: 300 / 320 - Time: 0.725 Solver_block: 320 / 320 - Time: 0.180 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.366 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:21:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:21:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.291529120000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.456507030000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.269300940000000 Atomic positions (fractional): 1 O 0.27984891620022 0.46203986375681 0.72093126274550 15.999 2 O 0.77984891620022 0.03796013624318 0.77906873725450 15.999 3 O 0.22015108379978 0.53796013624318 0.22093126274550 15.999 4 O 0.72015108379978 0.96203986375682 0.27906873725450 15.999 5 O 0.72015108379978 0.53796013624318 0.27906873725450 15.999 6 O 0.22015108379978 0.96203986375682 0.22093126274550 15.999 7 O 0.77984891620022 0.46203986375681 0.77906873725450 15.999 8 O 0.27984891620022 0.03796013624318 0.72093126274550 15.999 9 O 0.48805645535467 0.25000000000000 0.07070146620723 15.999 10 O 0.98805645535466 0.25000000000000 0.42929853379277 15.999 11 O 0.01194354464533 0.75000000000000 0.57070146620723 15.999 12 O 0.51194354464534 0.75000000000000 0.92929853379277 15.999 13 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 15 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 16 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 17 Sm 0.96663703692242 0.75000000000000 0.00821593127368 150.360 18 Sm 0.46663703692242 0.75000000000000 0.49178406872632 150.360 19 Sm 0.53336296307758 0.25000000000000 0.50821593127368 150.360 20 Sm 0.03336296307758 0.25000000000000 0.99178406872632 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.583058240000002 0.000000000000000 0.000000000000000 b 0.000000000000000 7.456507030000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.538601880000000 Atomic positions (fractional): 1 O 0.13992445810011 0.46203986375681 0.36046563137275 15.999 > 1 2 O 0.63992445810011 0.46203986375681 0.36046563137275 15.999 > 1 3 O 0.13992445810011 0.46203986375681 0.86046563137275 15.999 > 1 4 O 0.63992445810011 0.46203986375681 0.86046563137275 15.999 > 1 5 O 0.38992445810011 0.03796013624318 0.38953436862725 15.999 > 5 6 O 0.88992445810011 0.03796013624318 0.38953436862725 15.999 > 5 7 O 0.38992445810011 0.03796013624318 0.88953436862725 15.999 > 5 8 O 0.88992445810011 0.03796013624318 0.88953436862725 15.999 > 5 9 O 0.11007554189989 0.53796013624318 0.11046563137275 15.999 > 9 10 O 0.61007554189989 0.53796013624318 0.11046563137275 15.999 > 9 11 O 0.11007554189989 0.53796013624318 0.61046563137275 15.999 > 9 12 O 0.61007554189989 0.53796013624318 0.61046563137275 15.999 > 9 13 O 0.36007554189989 0.96203986375682 0.13953436862725 15.999 > 13 14 O 0.86007554189989 0.96203986375682 0.13953436862725 15.999 > 13 15 O 0.36007554189989 0.96203986375682 0.63953436862725 15.999 > 13 16 O 0.86007554189989 0.96203986375682 0.63953436862725 15.999 > 13 17 O 0.36007554189989 0.53796013624318 0.13953436862725 15.999 > 17 18 O 0.86007554189989 0.53796013624318 0.13953436862725 15.999 > 17 19 O 0.36007554189989 0.53796013624318 0.63953436862725 15.999 > 17 20 O 0.86007554189989 0.53796013624318 0.63953436862725 15.999 > 17 21 O 0.11007554189989 0.96203986375682 0.11046563137275 15.999 > 21 22 O 0.61007554189989 0.96203986375682 0.11046563137275 15.999 > 21 23 O 0.11007554189989 0.96203986375682 0.61046563137275 15.999 > 21 24 O 0.61007554189989 0.96203986375682 0.61046563137275 15.999 > 21 25 O 0.38992445810011 0.46203986375681 0.38953436862725 15.999 > 25 26 O 0.88992445810011 0.46203986375681 0.38953436862725 15.999 > 25 27 O 0.38992445810011 0.46203986375681 0.88953436862725 15.999 > 25 28 O 0.88992445810011 0.46203986375681 0.88953436862725 15.999 > 25 29 O 0.13992445810011 0.03796013624318 0.36046563137275 15.999 > 29 30 O 0.63992445810011 0.03796013624318 0.36046563137275 15.999 > 29 31 O 0.13992445810011 0.03796013624318 0.86046563137275 15.999 > 29 32 O 0.63992445810011 0.03796013624318 0.86046563137275 15.999 > 29 33 O 0.24402822767733 0.25000000000000 0.03535073310362 15.999 > 33 34 O 0.74402822767733 0.25000000000000 0.03535073310362 15.999 > 33 35 O 0.24402822767733 0.25000000000000 0.53535073310362 15.999 > 33 36 O 0.74402822767733 0.25000000000000 0.53535073310362 15.999 > 33 37 O 0.49402822767733 0.25000000000000 0.21464926689638 15.999 > 37 38 O 0.99402822767733 0.25000000000000 0.21464926689638 15.999 > 37 39 O 0.49402822767733 0.25000000000000 0.71464926689638 15.999 > 37 40 O 0.99402822767733 0.25000000000000 0.71464926689638 15.999 > 37 41 O 0.00597177232267 0.75000000000000 0.28535073310362 15.999 > 41 42 O 0.50597177232267 0.75000000000000 0.28535073310362 15.999 > 41 43 O 0.00597177232267 0.75000000000000 0.78535073310362 15.999 > 41 44 O 0.50597177232267 0.75000000000000 0.78535073310362 15.999 > 41 45 O 0.25597177232267 0.75000000000000 0.46464926689638 15.999 > 45 46 O 0.75597177232267 0.75000000000000 0.46464926689638 15.999 > 45 47 O 0.25597177232267 0.75000000000000 0.96464926689638 15.999 > 45 48 O 0.75597177232267 0.75000000000000 0.96464926689638 15.999 > 45 49 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 49 50 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 49 51 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 49 52 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 49 53 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 53 54 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 53 55 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 53 56 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 53 57 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 57 58 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 57 59 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 57 60 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 57 61 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 61 62 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 61 63 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 61 64 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 61 65 Sm 0.48331851846121 0.75000000000000 0.00410796563684 150.360 > 65 66 Sm 0.98331851846121 0.75000000000000 0.00410796563684 150.360 > 65 67 Sm 0.48331851846121 0.75000000000000 0.50410796563684 150.360 > 65 68 Sm 0.98331851846121 0.75000000000000 0.50410796563684 150.360 > 65 69 Sm 0.23331851846121 0.75000000000000 0.24589203436316 150.360 > 69 70 Sm 0.73331851846121 0.75000000000000 0.24589203436316 150.360 > 69 71 Sm 0.23331851846121 0.75000000000000 0.74589203436316 150.360 > 69 72 Sm 0.73331851846121 0.75000000000000 0.74589203436316 150.360 > 69 73 Sm 0.26668148153879 0.25000000000000 0.25410796563684 150.360 > 73 74 Sm 0.76668148153879 0.25000000000000 0.25410796563684 150.360 > 73 75 Sm 0.26668148153879 0.25000000000000 0.75410796563684 150.360 > 73 76 Sm 0.76668148153879 0.25000000000000 0.75410796563684 150.360 > 73 77 Sm 0.01668148153879 0.25000000000000 0.49589203436316 150.360 > 77 78 Sm 0.51668148153879 0.25000000000000 0.49589203436316 150.360 > 77 79 Sm 0.01668148153879 0.25000000000000 0.99589203436316 150.360 > 77 80 Sm 0.51668148153879 0.25000000000000 0.99589203436316 150.360 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4129289 0.0000000 0.0000000 0.0000000 4.3095538 0.0000000 0.0000000 0.0000000 4.4886221 -------------------------- Born effective charges -------------------------- 1 O -2.3788664 0.0264424 -0.0029382 0.0643209 -2.2641863 0.0761716 0.0144461 0.1094152 -2.3795915 2 O -2.3788664 -0.0264424 0.0029382 -0.0643209 -2.2641863 0.0761716 -0.0144461 0.1094152 -2.3795915 3 O -2.3788664 0.0264424 0.0029382 0.0643209 -2.2641863 -0.0761716 -0.0144461 -0.1094152 -2.3795915 4 O -2.3788664 -0.0264424 -0.0029382 -0.0643209 -2.2641863 -0.0761716 0.0144461 -0.1094152 -2.3795915 5 O -2.3788664 0.0264424 -0.0029382 0.0643209 -2.2641863 0.0761716 0.0144461 0.1094152 -2.3795915 6 O -2.3788664 -0.0264424 0.0029382 -0.0643209 -2.2641863 0.0761716 -0.0144461 0.1094152 -2.3795915 7 O -2.3788664 0.0264424 0.0029382 0.0643209 -2.2641863 -0.0761716 -0.0144461 -0.1094152 -2.3795915 8 O -2.3788664 -0.0264424 -0.0029382 -0.0643209 -2.2641863 -0.0761716 0.0144461 -0.1094152 -2.3795915 9 O -2.2240428 0.0000000 -0.1217801 0.0000000 -2.3377039 0.0000000 -0.2394036 0.0000000 -2.4517043 10 O -2.2240428 0.0000000 0.1217801 0.0000000 -2.3377039 0.0000000 0.2394036 0.0000000 -2.4517043 11 O -2.2240428 0.0000000 0.1217801 0.0000000 -2.3377039 0.0000000 0.2394036 0.0000000 -2.4517043 12 O -2.2240428 0.0000000 -0.1217801 0.0000000 -2.3377039 0.0000000 -0.2394036 0.0000000 -2.4517043 13 Al 2.8965318 0.0780326 -0.1800501 -0.0104530 2.9567437 0.2466399 0.0185268 -0.1115974 2.9423755 14 Al 2.8965318 -0.0780326 0.1800501 0.0104530 2.9567437 0.2466399 -0.0185268 -0.1115974 2.9423755 15 Al 2.8965318 0.0780326 0.1800501 -0.0104530 2.9567437 -0.2466399 -0.0185268 0.1115974 2.9423755 16 Al 2.8965318 -0.0780326 -0.1800501 0.0104530 2.9567437 -0.2466399 0.0185268 0.1115974 2.9423755 17 Sm 4.0852437 0.0000000 -0.0172366 0.0000000 3.9093330 0.0000000 0.1779655 0.0000000 4.2685117 18 Sm 4.0852437 0.0000000 0.0172366 0.0000000 3.9093330 0.0000000 -0.1779655 0.0000000 4.2685117 19 Sm 4.0852437 0.0000000 0.0172366 0.0000000 3.9093330 0.0000000 -0.1779655 0.0000000 4.2685117 20 Sm 4.0852437 0.0000000 -0.0172366 0.0000000 3.9093330 0.0000000 0.1779655 0.0000000 4.2685117 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000007 (yxy) -0.00000007 (yxy) -0.00000007 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (zx) -0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:21:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:21:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.291529120000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.456507030000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.269300940000000 Atomic positions (fractional): 1 O 0.27984891620022 0.46203986375681 0.72093126274550 15.999 2 O 0.77984891620022 0.03796013624318 0.77906873725450 15.999 3 O 0.22015108379978 0.53796013624318 0.22093126274550 15.999 4 O 0.72015108379978 0.96203986375682 0.27906873725450 15.999 5 O 0.72015108379978 0.53796013624318 0.27906873725450 15.999 6 O 0.22015108379978 0.96203986375682 0.22093126274550 15.999 7 O 0.77984891620022 0.46203986375681 0.77906873725450 15.999 8 O 0.27984891620022 0.03796013624318 0.72093126274550 15.999 9 O 0.48805645535467 0.25000000000000 0.07070146620723 15.999 10 O 0.98805645535466 0.25000000000000 0.42929853379277 15.999 11 O 0.01194354464533 0.75000000000000 0.57070146620723 15.999 12 O 0.51194354464534 0.75000000000000 0.92929853379277 15.999 13 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 15 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 16 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 17 Sm 0.96663703692242 0.75000000000000 0.00821593127368 150.360 18 Sm 0.46663703692242 0.75000000000000 0.49178406872632 150.360 19 Sm 0.53336296307758 0.25000000000000 0.50821593127368 150.360 20 Sm 0.03336296307758 0.25000000000000 0.99178406872632 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.583058240000002 0.000000000000000 0.000000000000000 b 0.000000000000000 7.456507030000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.538601880000000 Atomic positions (fractional): 1 O 0.13992445810011 0.46203986375681 0.36046563137275 15.999 > 1 2 O 0.63992445810011 0.46203986375681 0.36046563137275 15.999 > 1 3 O 0.13992445810011 0.46203986375681 0.86046563137275 15.999 > 1 4 O 0.63992445810011 0.46203986375681 0.86046563137275 15.999 > 1 5 O 0.38992445810011 0.03796013624318 0.38953436862725 15.999 > 5 6 O 0.88992445810011 0.03796013624318 0.38953436862725 15.999 > 5 7 O 0.38992445810011 0.03796013624318 0.88953436862725 15.999 > 5 8 O 0.88992445810011 0.03796013624318 0.88953436862725 15.999 > 5 9 O 0.11007554189989 0.53796013624318 0.11046563137275 15.999 > 9 10 O 0.61007554189989 0.53796013624318 0.11046563137275 15.999 > 9 11 O 0.11007554189989 0.53796013624318 0.61046563137275 15.999 > 9 12 O 0.61007554189989 0.53796013624318 0.61046563137275 15.999 > 9 13 O 0.36007554189989 0.96203986375682 0.13953436862725 15.999 > 13 14 O 0.86007554189989 0.96203986375682 0.13953436862725 15.999 > 13 15 O 0.36007554189989 0.96203986375682 0.63953436862725 15.999 > 13 16 O 0.86007554189989 0.96203986375682 0.63953436862725 15.999 > 13 17 O 0.36007554189989 0.53796013624318 0.13953436862725 15.999 > 17 18 O 0.86007554189989 0.53796013624318 0.13953436862725 15.999 > 17 19 O 0.36007554189989 0.53796013624318 0.63953436862725 15.999 > 17 20 O 0.86007554189989 0.53796013624318 0.63953436862725 15.999 > 17 21 O 0.11007554189989 0.96203986375682 0.11046563137275 15.999 > 21 22 O 0.61007554189989 0.96203986375682 0.11046563137275 15.999 > 21 23 O 0.11007554189989 0.96203986375682 0.61046563137275 15.999 > 21 24 O 0.61007554189989 0.96203986375682 0.61046563137275 15.999 > 21 25 O 0.38992445810011 0.46203986375681 0.38953436862725 15.999 > 25 26 O 0.88992445810011 0.46203986375681 0.38953436862725 15.999 > 25 27 O 0.38992445810011 0.46203986375681 0.88953436862725 15.999 > 25 28 O 0.88992445810011 0.46203986375681 0.88953436862725 15.999 > 25 29 O 0.13992445810011 0.03796013624318 0.36046563137275 15.999 > 29 30 O 0.63992445810011 0.03796013624318 0.36046563137275 15.999 > 29 31 O 0.13992445810011 0.03796013624318 0.86046563137275 15.999 > 29 32 O 0.63992445810011 0.03796013624318 0.86046563137275 15.999 > 29 33 O 0.24402822767733 0.25000000000000 0.03535073310362 15.999 > 33 34 O 0.74402822767733 0.25000000000000 0.03535073310362 15.999 > 33 35 O 0.24402822767733 0.25000000000000 0.53535073310362 15.999 > 33 36 O 0.74402822767733 0.25000000000000 0.53535073310362 15.999 > 33 37 O 0.49402822767733 0.25000000000000 0.21464926689638 15.999 > 37 38 O 0.99402822767733 0.25000000000000 0.21464926689638 15.999 > 37 39 O 0.49402822767733 0.25000000000000 0.71464926689638 15.999 > 37 40 O 0.99402822767733 0.25000000000000 0.71464926689638 15.999 > 37 41 O 0.00597177232267 0.75000000000000 0.28535073310362 15.999 > 41 42 O 0.50597177232267 0.75000000000000 0.28535073310362 15.999 > 41 43 O 0.00597177232267 0.75000000000000 0.78535073310362 15.999 > 41 44 O 0.50597177232267 0.75000000000000 0.78535073310362 15.999 > 41 45 O 0.25597177232267 0.75000000000000 0.46464926689638 15.999 > 45 46 O 0.75597177232267 0.75000000000000 0.46464926689638 15.999 > 45 47 O 0.25597177232267 0.75000000000000 0.96464926689638 15.999 > 45 48 O 0.75597177232267 0.75000000000000 0.96464926689638 15.999 > 45 49 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 49 50 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 49 51 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 49 52 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 49 53 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 53 54 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 53 55 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 53 56 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 53 57 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 57 58 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 57 59 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 57 60 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 57 61 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 61 62 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 61 63 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 61 64 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 61 65 Sm 0.48331851846121 0.75000000000000 0.00410796563684 150.360 > 65 66 Sm 0.98331851846121 0.75000000000000 0.00410796563684 150.360 > 65 67 Sm 0.48331851846121 0.75000000000000 0.50410796563684 150.360 > 65 68 Sm 0.98331851846121 0.75000000000000 0.50410796563684 150.360 > 65 69 Sm 0.23331851846121 0.75000000000000 0.24589203436316 150.360 > 69 70 Sm 0.73331851846121 0.75000000000000 0.24589203436316 150.360 > 69 71 Sm 0.23331851846121 0.75000000000000 0.74589203436316 150.360 > 69 72 Sm 0.73331851846121 0.75000000000000 0.74589203436316 150.360 > 69 73 Sm 0.26668148153879 0.25000000000000 0.25410796563684 150.360 > 73 74 Sm 0.76668148153879 0.25000000000000 0.25410796563684 150.360 > 73 75 Sm 0.26668148153879 0.25000000000000 0.75410796563684 150.360 > 73 76 Sm 0.76668148153879 0.25000000000000 0.75410796563684 150.360 > 73 77 Sm 0.01668148153879 0.25000000000000 0.49589203436316 150.360 > 77 78 Sm 0.51668148153879 0.25000000000000 0.49589203436316 150.360 > 77 79 Sm 0.01668148153879 0.25000000000000 0.99589203436316 150.360 > 77 80 Sm 0.51668148153879 0.25000000000000 0.99589203436316 150.360 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4129289 0.0000000 0.0000000 0.0000000 4.3095538 0.0000000 0.0000000 0.0000000 4.4886221 -------------------------- Born effective charges -------------------------- 1 O -2.3788664 0.0264424 -0.0029382 0.0643209 -2.2641863 0.0761716 0.0144461 0.1094152 -2.3795915 2 O -2.3788664 -0.0264424 0.0029382 -0.0643209 -2.2641863 0.0761716 -0.0144461 0.1094152 -2.3795915 3 O -2.3788664 0.0264424 0.0029382 0.0643209 -2.2641863 -0.0761716 -0.0144461 -0.1094152 -2.3795915 4 O -2.3788664 -0.0264424 -0.0029382 -0.0643209 -2.2641863 -0.0761716 0.0144461 -0.1094152 -2.3795915 5 O -2.3788664 0.0264424 -0.0029382 0.0643209 -2.2641863 0.0761716 0.0144461 0.1094152 -2.3795915 6 O -2.3788664 -0.0264424 0.0029382 -0.0643209 -2.2641863 0.0761716 -0.0144461 0.1094152 -2.3795915 7 O -2.3788664 0.0264424 0.0029382 0.0643209 -2.2641863 -0.0761716 -0.0144461 -0.1094152 -2.3795915 8 O -2.3788664 -0.0264424 -0.0029382 -0.0643209 -2.2641863 -0.0761716 0.0144461 -0.1094152 -2.3795915 9 O -2.2240428 0.0000000 -0.1217801 0.0000000 -2.3377039 0.0000000 -0.2394036 0.0000000 -2.4517043 10 O -2.2240428 0.0000000 0.1217801 0.0000000 -2.3377039 0.0000000 0.2394036 0.0000000 -2.4517043 11 O -2.2240428 0.0000000 0.1217801 0.0000000 -2.3377039 0.0000000 0.2394036 0.0000000 -2.4517043 12 O -2.2240428 0.0000000 -0.1217801 0.0000000 -2.3377039 0.0000000 -0.2394036 0.0000000 -2.4517043 13 Al 2.8965318 0.0780326 -0.1800501 -0.0104530 2.9567437 0.2466399 0.0185268 -0.1115974 2.9423755 14 Al 2.8965318 -0.0780326 0.1800501 0.0104530 2.9567437 0.2466399 -0.0185268 -0.1115974 2.9423755 15 Al 2.8965318 0.0780326 0.1800501 -0.0104530 2.9567437 -0.2466399 -0.0185268 0.1115974 2.9423755 16 Al 2.8965318 -0.0780326 -0.1800501 0.0104530 2.9567437 -0.2466399 0.0185268 0.1115974 2.9423755 17 Sm 4.0852437 0.0000000 -0.0172366 0.0000000 3.9093330 0.0000000 0.1779655 0.0000000 4.2685117 18 Sm 4.0852437 0.0000000 0.0172366 0.0000000 3.9093330 0.0000000 -0.1779655 0.0000000 4.2685117 19 Sm 4.0852437 0.0000000 0.0172366 0.0000000 3.9093330 0.0000000 -0.1779655 0.0000000 4.2685117 20 Sm 4.0852437 0.0000000 -0.0172366 0.0000000 3.9093330 0.0000000 0.1779655 0.0000000 4.2685117 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (yxy) -0.00000007 (yxy) -0.00000007 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 9 ] 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: 0.70, Number of G-points: 319, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.164 ( 0.000 0.000 0.000) 0.000 6.207 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.624 ( 0.000 0.000 0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 10.283 ( 0.000 0.000 0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 10.429 ( 0.000 0.000 0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 11.214 ( 0.000 0.000 0.000) 0.000 11.380 ( 0.000 0.000 0.000) 0.000 11.756 ( 0.000 0.000 0.000) 0.000 12.102 ( 0.000 0.000 0.000) 0.000 12.201 ( 0.000 0.000 0.000) 0.000 12.607 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 12.830 ( 0.000 0.000 0.000) 0.000 12.871 ( 0.000 0.000 0.000) 0.000 13.043 ( 0.000 0.000 0.000) 0.000 13.459 ( 0.000 0.000 0.000) 0.000 14.419 ( 0.000 0.000 0.000) 0.000 14.466 ( 0.000 0.000 0.000) 0.000 14.485 ( 0.000 0.000 0.000) 0.000 14.545 ( 0.000 0.000 0.000) 0.000 14.584 ( 0.000 0.000 0.000) 0.000 14.669 ( 0.000 0.000 0.000) 0.000 14.819 ( 0.000 0.000 0.000) 0.000 14.926 ( 0.000 0.000 0.000) 0.000 15.430 ( 0.000 0.000 0.000) 0.000 16.131 ( 0.000 0.000 0.000) 0.000 16.210 ( 0.000 0.000 0.000) 0.000 16.653 ( 0.000 0.000 0.000) 0.000 18.571 ( 0.000 0.000 0.000) 0.000 18.857 ( 0.000 0.000 0.000) 0.000 18.999 ( 0.000 0.000 0.000) 0.000 19.232 ( 0.000 0.000 0.000) 0.000 19.345 ( 0.000 0.000 0.000) 0.000 19.459 ( 0.000 0.000 0.000) 0.000 19.696 ( 0.000 0.000 0.000) 0.000 20.005 ( 0.000 0.000 0.000) 0.000 21.404 ( 0.000 0.000 0.000) 0.000 22.228 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 36.257 0.000 0.000) 36.257 0.928 ( 42.902 0.000 0.000) 42.902 1.211 ( 50.009 0.000 0.000) 50.009 2.776 ( 15.612 0.000 0.000) 15.612 2.909 ( 2.326 0.000 0.000) 2.326 3.443 ( 1.765 0.000 0.000) 1.765 3.772 ( -2.523 0.000 0.000) 2.523 4.098 ( -3.635 0.000 0.000) 3.635 4.347 ( -6.603 0.000 0.000) 6.603 4.374 ( -4.209 0.000 0.000) 4.209 4.457 ( -1.239 0.000 0.000) 1.239 4.982 ( -6.022 0.000 0.000) 6.022 5.978 ( 10.807 0.000 0.000) 10.807 6.250 ( 9.334 0.000 0.000) 9.334 6.339 ( 11.610 0.000 0.000) 11.610 6.474 ( 10.563 0.000 0.000) 10.563 6.820 ( 6.109 0.000 0.000) 6.109 7.416 ( 2.649 0.000 0.000) 2.649 7.950 ( 29.416 0.000 0.000) 29.416 8.096 ( -1.747 0.000 0.000) 1.747 9.204 ( -1.117 0.000 0.000) 1.117 9.614 ( 6.274 0.000 0.000) 6.274 9.652 ( -0.646 0.000 0.000) 0.646 10.111 ( -20.241 0.000 0.000) 20.241 10.330 ( -1.238 0.000 0.000) 1.238 10.374 ( 1.621 0.000 0.000) 1.621 11.085 ( -11.600 0.000 0.000) 11.600 11.213 ( 13.932 0.000 0.000) 13.932 11.526 ( 10.967 0.000 0.000) 10.967 11.690 ( -5.725 0.000 0.000) 5.725 12.027 ( -3.703 0.000 0.000) 3.703 12.182 ( -2.411 0.000 0.000) 2.411 12.727 ( 7.657 0.000 0.000) 7.657 12.823 ( 2.355 0.000 0.000) 2.355 12.880 ( 7.506 0.000 0.000) 7.506 13.068 ( 3.172 0.000 0.000) 3.172 13.532 ( 6.784 0.000 0.000) 6.784 14.256 ( -10.092 0.000 0.000) 10.092 14.335 ( -9.707 0.000 0.000) 9.707 14.404 ( -8.917 0.000 0.000) 8.917 14.632 ( -2.870 0.000 0.000) 2.870 14.787 ( 15.393 0.000 0.000) 15.393 14.876 ( 17.036 0.000 0.000) 17.036 14.884 ( 17.639 0.000 0.000) 17.639 15.040 ( 3.547 0.000 0.000) 3.547 15.443 ( 3.243 0.000 0.000) 3.243 15.702 ( -26.786 0.000 0.000) 26.786 16.053 ( -6.477 0.000 0.000) 6.477 16.981 ( 19.456 0.000 0.000) 19.456 17.291 ( 2.359 0.000 0.000) 2.359 18.379 ( -33.213 0.000 0.000) 33.213 18.600 ( 2.675 0.000 0.000) 2.675 19.013 ( -11.204 0.000 0.000) 11.204 19.325 ( -1.778 0.000 0.000) 1.778 19.352 ( -10.178 0.000 0.000) 10.178 19.898 ( -10.149 0.000 0.000) 10.149 20.150 ( 30.754 0.000 0.000) 30.754 21.429 ( 2.308 0.000 0.000) 2.308 21.874 ( -0.688 0.000 0.000) 0.688 22.229 ( 0.020 0.000 0.000) 0.020 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 33.659 0.000 0.000) 33.659 1.769 ( 36.276 0.000 0.000) 36.276 1.991 ( 25.068 0.000 0.000) 25.068 2.970 ( 3.180 0.000 0.000) 3.180 3.250 ( 25.736 0.000 0.000) 25.736 3.496 ( 3.218 0.000 0.000) 3.218 3.722 ( -2.399 0.000 0.000) 2.399 3.992 ( -5.989 0.000 0.000) 5.989 4.169 ( -9.035 0.000 0.000) 9.035 4.261 ( -5.966 0.000 0.000) 5.966 4.413 ( -3.108 0.000 0.000) 3.108 4.755 ( -14.198 0.000 0.000) 14.198 6.244 ( 13.168 0.000 0.000) 13.168 6.626 ( 25.570 0.000 0.000) 25.570 6.638 ( 15.864 0.000 0.000) 15.864 6.802 ( 19.998 0.000 0.000) 19.998 6.993 ( 9.837 0.000 0.000) 9.837 7.478 ( 2.616 0.000 0.000) 2.616 8.103 ( 3.615 0.000 0.000) 3.615 8.764 ( 45.785 0.000 0.000) 45.785 9.105 ( -8.705 0.000 0.000) 8.705 9.565 ( -29.772 0.000 0.000) 29.772 9.609 ( -3.953 0.000 0.000) 3.953 9.746 ( 5.913 0.000 0.000) 5.913 10.454 ( 11.557 0.000 0.000) 11.557 10.464 ( 6.290 0.000 0.000) 6.290 10.771 ( -17.224 0.000 0.000) 17.224 11.410 ( 6.068 0.000 0.000) 6.068 11.536 ( -8.620 0.000 0.000) 8.620 11.745 ( 8.611 0.000 0.000) 8.611 12.072 ( -8.429 0.000 0.000) 8.429 12.146 ( 16.171 0.000 0.000) 16.171 12.803 ( 1.566 0.000 0.000) 1.566 12.892 ( 4.163 0.000 0.000) 4.163 13.205 ( 9.856 0.000 0.000) 9.856 13.218 ( 21.452 0.000 0.000) 21.452 13.717 ( 9.214 0.000 0.000) 9.214 13.987 ( -25.391 0.000 0.000) 25.391 14.071 ( -6.798 0.000 0.000) 6.798 14.086 ( -13.866 0.000 0.000) 13.866 14.770 ( -31.036 0.000 0.000) 31.036 14.806 ( 14.383 0.000 0.000) 14.383 14.952 ( -2.496 0.000 0.000) 2.496 15.038 ( -3.540 0.000 0.000) 3.540 15.361 ( 28.959 0.000 0.000) 28.959 15.630 ( 22.953 0.000 0.000) 22.953 15.637 ( 2.589 0.000 0.000) 2.589 15.973 ( 12.713 0.000 0.000) 12.713 17.329 ( 13.244 0.000 0.000) 13.244 17.364 ( 4.500 0.000 0.000) 4.500 17.655 ( -34.629 0.000 0.000) 34.629 18.673 ( 3.602 0.000 0.000) 3.602 18.679 ( -20.052 0.000 0.000) 20.052 19.037 ( -19.248 0.000 0.000) 19.248 19.271 ( -3.387 0.000 0.000) 3.387 19.583 ( -19.713 0.000 0.000) 19.713 20.791 ( 29.034 0.000 0.000) 29.034 21.495 ( 3.844 0.000 0.000) 3.844 21.852 ( -1.432 0.000 0.000) 1.432 22.220 ( -1.204 0.000 0.000) 1.204 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 28.663 0.000 0.000) 28.663 2.394 ( 15.921 0.000 0.000) 15.921 2.419 ( 25.136 0.000 0.000) 25.136 3.022 ( 1.214 0.000 0.000) 1.214 3.544 ( -3.611 0.000 0.000) 3.611 3.578 ( -0.090 0.000 0.000) 0.090 3.656 ( 0.091 0.000 0.000) 0.091 3.925 ( 2.016 0.000 0.000) 2.016 4.051 ( -0.636 0.000 0.000) 0.636 4.150 ( -3.925 0.000 0.000) 3.925 4.329 ( -4.592 0.000 0.000) 4.592 4.452 ( -13.507 0.000 0.000) 13.507 6.565 ( 18.014 0.000 0.000) 18.014 6.978 ( 15.707 0.000 0.000) 15.707 7.202 ( 27.164 0.000 0.000) 27.164 7.207 ( 9.693 0.000 0.000) 9.693 7.270 ( 23.718 0.000 0.000) 23.718 7.493 ( -2.110 0.000 0.000) 2.110 8.242 ( 7.061 0.000 0.000) 7.061 8.886 ( -9.406 0.000 0.000) 9.406 8.909 ( -31.808 0.000 0.000) 31.808 9.469 ( -9.627 0.000 0.000) 9.627 9.783 ( 49.447 0.000 0.000) 49.447 9.837 ( 2.473 0.000 0.000) 2.473 10.401 ( -17.239 0.000 0.000) 17.239 10.629 ( 9.224 0.000 0.000) 9.224 10.728 ( 14.281 0.000 0.000) 14.281 11.335 ( -10.339 0.000 0.000) 10.339 11.672 ( 20.958 0.000 0.000) 20.958 11.829 ( -14.527 0.000 0.000) 14.527 11.833 ( -2.131 0.000 0.000) 2.131 12.583 ( 22.888 0.000 0.000) 22.888 12.832 ( 1.436 0.000 0.000) 1.436 12.998 ( 6.099 0.000 0.000) 6.099 13.386 ( -0.428 0.000 0.000) 0.428 13.434 ( -25.207 0.000 0.000) 25.207 13.678 ( 13.804 0.000 0.000) 13.804 13.785 ( 0.804 0.000 0.000) 0.804 13.791 ( -6.072 0.000 0.000) 6.072 14.011 ( -22.566 0.000 0.000) 22.566 14.175 ( 4.022 0.000 0.000) 4.022 14.778 ( -12.297 0.000 0.000) 12.297 14.876 ( -10.400 0.000 0.000) 10.400 15.197 ( 21.077 0.000 0.000) 21.077 15.361 ( -19.774 0.000 0.000) 19.774 16.070 ( 37.621 0.000 0.000) 37.621 16.223 ( 30.509 0.000 0.000) 30.509 16.636 ( 38.654 0.000 0.000) 38.654 16.948 ( -32.301 0.000 0.000) 32.301 17.469 ( 5.248 0.000 0.000) 5.248 17.534 ( 6.434 0.000 0.000) 6.434 18.198 ( -24.947 0.000 0.000) 24.947 18.462 ( -28.368 0.000 0.000) 28.368 18.830 ( 4.202 0.000 0.000) 4.202 19.075 ( -28.500 0.000 0.000) 28.500 19.185 ( -4.746 0.000 0.000) 4.746 21.342 ( 23.114 0.000 0.000) 23.114 21.584 ( 4.432 0.000 0.000) 4.432 21.813 ( -2.315 0.000 0.000) 2.315 22.165 ( -4.384 0.000 0.000) 4.384 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 15.860 0.000 0.000) 15.860 2.691 ( 10.924 0.000 0.000) 10.924 2.819 ( 13.225 0.000 0.000) 13.225 2.996 ( -4.269 0.000 0.000) 4.269 3.347 ( -8.177 0.000 0.000) 8.177 3.401 ( -10.974 0.000 0.000) 10.974 3.779 ( 7.989 0.000 0.000) 7.989 3.925 ( -4.397 0.000 0.000) 4.397 4.114 ( 5.194 0.000 0.000) 5.194 4.120 ( 1.488 0.000 0.000) 1.488 4.221 ( -8.066 0.000 0.000) 8.066 4.228 ( -5.141 0.000 0.000) 5.141 6.984 ( 20.593 0.000 0.000) 20.593 7.256 ( 9.681 0.000 0.000) 9.681 7.343 ( 1.809 0.000 0.000) 1.809 7.348 ( -12.414 0.000 0.000) 12.414 7.736 ( 24.231 0.000 0.000) 24.231 7.767 ( 22.871 0.000 0.000) 22.871 8.183 ( -14.464 0.000 0.000) 14.464 8.272 ( -27.939 0.000 0.000) 27.939 8.901 ( 11.607 0.000 0.000) 11.607 9.207 ( -14.803 0.000 0.000) 14.803 9.896 ( 4.827 0.000 0.000) 4.827 10.079 ( -12.602 0.000 0.000) 12.602 10.760 ( 39.536 0.000 0.000) 39.536 10.841 ( 10.479 0.000 0.000) 10.479 11.075 ( 18.601 0.000 0.000) 18.601 11.123 ( -7.255 0.000 0.000) 7.255 11.475 ( -18.647 0.000 0.000) 18.647 11.559 ( -25.179 0.000 0.000) 25.179 12.249 ( 32.244 0.000 0.000) 32.244 12.875 ( 3.185 0.000 0.000) 3.185 12.957 ( -32.907 0.000 0.000) 32.907 13.013 ( -11.305 0.000 0.000) 11.305 13.053 ( 21.408 0.000 0.000) 21.408 13.178 ( 9.217 0.000 0.000) 9.217 13.434 ( -14.290 0.000 0.000) 14.290 13.480 ( -19.999 0.000 0.000) 19.999 14.073 ( 18.557 0.000 0.000) 18.557 14.189 ( 21.238 0.000 0.000) 21.238 14.464 ( -17.348 0.000 0.000) 17.348 14.493 ( 18.606 0.000 0.000) 18.606 14.590 ( -16.625 0.000 0.000) 16.625 14.917 ( -21.430 0.000 0.000) 21.430 15.696 ( 26.060 0.000 0.000) 26.060 16.279 ( -29.028 0.000 0.000) 29.028 16.860 ( 29.170 0.000 0.000) 29.170 16.923 ( 40.284 0.000 0.000) 40.284 17.274 ( 4.244 0.000 0.000) 4.244 17.614 ( 1.778 0.000 0.000) 1.778 17.677 ( 24.031 0.000 0.000) 24.031 17.718 ( -13.736 0.000 0.000) 13.736 17.755 ( -37.600 0.000 0.000) 37.600 18.399 ( -35.319 0.000 0.000) 35.319 18.948 ( 6.105 0.000 0.000) 6.105 19.074 ( -5.728 0.000 0.000) 5.728 21.675 ( 4.148 0.000 0.000) 4.148 21.754 ( -3.225 0.000 0.000) 3.225 21.754 ( 16.046 0.000 0.000) 16.046 22.022 ( -9.543 0.000 0.000) 9.543 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.000 40.800 0.000) 40.800 0.837 ( 0.000 42.476 0.000) 42.476 1.330 ( 0.000 67.305 0.000) 67.305 2.596 ( 0.000 -2.263 0.000) 2.263 2.932 ( 0.000 4.352 0.000) 4.352 3.392 ( 0.000 -2.748 0.000) 2.748 3.835 ( 0.000 3.059 0.000) 3.059 4.080 ( 0.000 0.379 0.000) 0.379 4.360 ( 0.000 -6.187 0.000) 6.187 4.391 ( 0.000 -2.822 0.000) 2.822 4.459 ( 0.000 -0.942 0.000) 0.942 5.009 ( 0.000 -1.880 0.000) 1.880 5.733 ( 0.000 -7.377 0.000) 7.377 6.140 ( 0.000 13.397 0.000) 13.397 6.375 ( 0.000 17.055 0.000) 17.055 6.408 ( 0.000 4.613 0.000) 4.613 6.689 ( 0.000 -6.757 0.000) 6.757 7.337 ( 0.000 -5.021 0.000) 5.021 7.536 ( 0.000 -9.222 0.000) 9.222 8.072 ( 0.000 -4.297 0.000) 4.297 9.404 ( 0.000 17.383 0.000) 17.383 9.449 ( 0.000 -20.467 0.000) 20.467 9.495 ( 0.000 -1.675 0.000) 1.675 10.364 ( 0.000 7.963 0.000) 7.963 10.433 ( 0.000 3.865 0.000) 3.865 10.517 ( 0.000 -30.537 0.000) 30.537 10.586 ( 0.000 16.026 0.000) 16.026 11.165 ( 0.000 -3.631 0.000) 3.631 11.485 ( 0.000 8.279 0.000) 8.279 11.780 ( 0.000 -2.966 0.000) 2.966 12.178 ( 0.000 -1.795 0.000) 1.795 12.293 ( 0.000 17.156 0.000) 17.156 12.634 ( 0.000 0.242 0.000) 0.242 12.847 ( 0.000 4.842 0.000) 4.842 12.901 ( 0.000 3.750 0.000) 3.750 13.013 ( 0.000 -2.461 0.000) 2.461 13.422 ( 0.000 -3.743 0.000) 3.743 14.075 ( 0.000 -22.393 0.000) 22.393 14.201 ( 0.000 -20.437 0.000) 20.437 14.342 ( 0.000 -13.449 0.000) 13.449 14.480 ( 0.000 1.378 0.000) 1.378 14.662 ( 0.000 2.347 0.000) 2.347 14.906 ( 0.000 23.732 0.000) 23.732 15.043 ( 0.000 12.048 0.000) 12.048 15.074 ( 0.000 17.532 0.000) 17.532 15.496 ( 0.000 6.313 0.000) 6.313 16.104 ( 0.000 -2.821 0.000) 2.821 16.176 ( 0.000 -3.498 0.000) 3.498 16.577 ( 0.000 -7.870 0.000) 7.870 17.568 ( 0.000 3.067 0.000) 3.067 18.335 ( 0.000 -23.440 0.000) 23.440 18.783 ( 0.000 -19.656 0.000) 19.656 18.878 ( 0.000 1.434 0.000) 1.434 19.136 ( 0.000 -3.413 0.000) 3.413 19.472 ( 0.000 1.659 0.000) 1.659 19.970 ( 0.000 -3.519 0.000) 3.519 20.032 ( 0.000 25.553 0.000) 25.553 21.532 ( 0.000 11.910 0.000) 11.910 21.948 ( 0.000 -6.900 0.000) 6.900 22.234 ( 0.000 0.407 0.000) 0.407 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 24.059 23.322 0.000) 33.507 1.114 ( 22.784 29.375 0.000) 37.176 1.836 ( 32.868 45.078 0.000) 55.788 2.743 ( 16.045 -2.452 0.000) 16.231 2.944 ( 1.035 2.963 0.000) 3.138 3.417 ( 2.253 -2.278 0.000) 3.204 3.801 ( -2.781 2.892 0.000) 4.013 4.080 ( -2.384 -1.172 0.000) 2.657 4.260 ( -7.780 -7.050 0.000) 10.499 4.376 ( -2.643 -1.494 0.000) 3.036 4.446 ( -1.320 -1.014 0.000) 1.664 4.957 ( -7.231 -3.452 0.000) 8.013 5.971 ( 19.158 -5.353 0.000) 19.891 6.244 ( 7.319 8.297 0.000) 11.064 6.455 ( 7.896 8.989 0.000) 11.964 6.549 ( 12.331 10.560 0.000) 16.235 6.824 ( 10.222 -1.933 0.000) 10.403 7.371 ( 3.014 -4.662 0.000) 5.551 7.835 ( 25.375 -12.537 0.000) 28.303 7.977 ( -1.203 -4.346 0.000) 4.510 9.296 ( -5.158 6.425 0.000) 8.239 9.397 ( -5.507 -22.146 0.000) 22.821 9.635 ( 7.757 3.444 0.000) 8.487 10.303 ( -1.655 -4.621 0.000) 4.909 10.323 ( -9.518 16.617 0.000) 19.150 10.470 ( -2.721 10.855 0.000) 11.191 10.806 ( 15.380 -22.273 0.000) 27.067 11.066 ( -10.116 -1.815 0.000) 10.278 11.549 ( 5.697 1.685 0.000) 5.941 11.820 ( 3.498 -5.587 0.000) 6.592 12.193 ( -10.487 20.970 0.000) 23.446 12.221 ( 2.745 4.331 0.000) 5.128 12.780 ( 12.047 3.322 0.000) 12.496 12.847 ( -0.025 1.969 0.000) 1.969 12.991 ( 7.834 7.826 0.000) 11.073 13.050 ( 4.168 -1.037 0.000) 4.295 13.492 ( 6.451 -4.113 0.000) 7.651 13.971 ( -6.240 -21.054 0.000) 21.959 14.173 ( -10.318 -13.278 0.000) 16.816 14.255 ( -2.405 -15.993 0.000) 16.173 14.766 ( 20.445 0.096 0.000) 20.445 14.797 ( -6.863 9.240 0.000) 11.510 14.913 ( 19.264 1.733 0.000) 19.342 15.003 ( 4.065 19.094 0.000) 19.522 15.292 ( 10.853 18.832 0.000) 21.736 15.518 ( 1.182 5.591 0.000) 5.715 15.667 ( -27.071 -3.411 0.000) 27.285 16.051 ( -9.440 -1.658 0.000) 9.585 16.911 ( 19.427 -7.208 0.000) 20.721 17.426 ( -5.367 9.602 0.000) 11.000 18.367 ( -29.423 -2.774 0.000) 29.554 18.367 ( 2.986 -23.210 0.000) 23.401 18.847 ( -7.026 -11.907 0.000) 13.825 19.134 ( -2.143 -11.830 0.000) 12.023 19.364 ( -10.236 1.673 0.000) 10.372 19.864 ( -10.089 -3.455 0.000) 10.664 20.349 ( 24.744 18.139 0.000) 30.680 21.554 ( 2.053 11.663 0.000) 11.842 21.921 ( -1.337 -0.452 0.000) 1.412 22.236 ( 0.097 0.487 0.000) 0.496 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 28.289 0.949 0.000) 28.305 1.664 ( 27.678 14.912 0.000) 31.439 2.384 ( 19.548 25.449 0.000) 32.090 2.973 ( 1.718 -0.095 0.000) 1.721 3.235 ( 25.442 -1.040 0.000) 25.463 3.475 ( 2.741 -1.969 0.000) 3.375 3.743 ( -2.553 2.132 0.000) 3.326 3.977 ( -6.797 -1.701 0.000) 7.007 4.070 ( -9.129 -7.555 0.000) 11.850 4.289 ( -5.010 0.575 0.000) 5.043 4.400 ( -3.088 -1.002 0.000) 3.247 4.719 ( -13.836 -3.786 0.000) 14.344 6.362 ( 12.044 10.958 0.000) 16.283 6.541 ( 25.566 -5.751 0.000) 26.205 6.687 ( 13.419 4.484 0.000) 14.149 6.885 ( 18.674 9.020 0.000) 20.738 7.063 ( 12.289 5.059 0.000) 13.290 7.448 ( 3.880 -3.104 0.000) 4.969 8.016 ( 7.913 -6.133 0.000) 10.011 8.537 ( 30.122 -17.456 0.000) 34.815 9.175 ( -16.490 -22.712 0.000) 28.067 9.235 ( 5.272 6.875 0.000) 8.664 9.783 ( 5.981 3.918 0.000) 7.150 10.013 ( -15.576 24.179 0.000) 28.762 10.413 ( 10.028 -4.798 0.000) 11.117 10.534 ( 5.974 6.612 0.000) 8.911 10.777 ( -16.132 0.671 0.000) 16.146 11.079 ( 11.843 -15.124 0.000) 19.209 11.668 ( 4.393 -5.858 0.000) 7.322 11.938 ( -11.770 21.841 0.000) 24.810 12.007 ( 14.954 -11.247 0.000) 18.712 12.221 ( -3.844 13.353 0.000) 13.896 12.869 ( 2.590 -2.868 0.000) 3.864 12.940 ( 3.243 11.503 0.000) 11.952 13.206 ( 10.293 0.750 0.000) 10.321 13.321 ( 22.065 8.974 0.000) 23.820 13.643 ( 4.326 -9.040 0.000) 10.021 13.872 ( -0.403 -14.930 0.000) 14.936 13.932 ( -12.418 -13.345 0.000) 18.229 13.959 ( -22.399 -3.804 0.000) 22.720 14.677 ( -21.795 -4.730 0.000) 22.302 14.972 ( 3.020 9.831 0.000) 10.285 15.092 ( -0.695 11.637 0.000) 11.657 15.224 ( -5.026 16.393 0.000) 17.146 15.363 ( 28.676 0.318 0.000) 28.678 15.629 ( -0.153 -0.701 0.000) 0.718 15.694 ( 22.282 8.463 0.000) 23.835 15.932 ( 12.599 -4.021 0.000) 13.225 17.258 ( 13.202 -7.386 0.000) 15.128 17.373 ( -2.590 1.512 0.000) 2.999 17.731 ( -27.937 6.755 0.000) 28.742 18.455 ( 5.184 -22.310 0.000) 22.905 18.568 ( -18.592 -10.773 0.000) 21.488 19.043 ( -20.284 1.569 0.000) 20.345 19.070 ( -3.680 -17.259 0.000) 17.647 19.550 ( -19.703 -3.392 0.000) 19.992 20.905 ( 26.329 11.142 0.000) 28.590 21.613 ( 3.381 10.969 0.000) 11.479 21.898 ( -1.092 2.655 0.000) 2.871 22.229 ( -1.008 0.771 0.000) 1.269 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 21.549 -6.584 0.000) 22.532 2.225 ( 24.728 5.511 0.000) 25.334 2.743 ( 15.342 17.089 0.000) 22.965 3.011 ( 1.534 -1.438 0.000) 2.103 3.495 ( -2.285 -4.790 0.000) 5.307 3.559 ( 1.618 -2.445 0.000) 2.931 3.675 ( -3.421 2.004 0.000) 3.965 3.845 ( -3.915 -8.054 0.000) 8.955 3.955 ( -0.350 -6.576 0.000) 6.585 4.197 ( -2.939 1.843 0.000) 3.469 4.314 ( -5.379 -1.312 0.000) 5.537 4.440 ( -11.290 -1.021 0.000) 11.336 6.634 ( 15.162 6.547 0.000) 16.515 6.978 ( 13.122 0.569 0.000) 13.135 7.088 ( 22.865 -4.653 0.000) 23.334 7.286 ( 17.482 1.652 0.000) 17.559 7.343 ( 14.757 7.274 0.000) 16.453 7.524 ( 4.204 2.562 0.000) 4.923 8.222 ( 7.411 -2.069 0.000) 7.694 8.721 ( -25.207 -15.590 0.000) 29.639 8.753 ( 0.916 -10.288 0.000) 10.329 9.702 ( -14.812 20.488 0.000) 25.282 9.844 ( 31.370 2.195 0.000) 31.447 9.884 ( 16.355 6.288 0.000) 17.522 10.429 ( -16.292 3.007 0.000) 16.568 10.651 ( 12.596 -7.005 0.000) 14.412 10.691 ( 8.678 5.663 0.000) 10.363 11.335 ( 8.146 -0.681 0.000) 8.175 11.681 ( -4.319 -6.020 0.000) 7.409 11.798 ( 3.932 12.271 0.000) 12.886 12.053 ( -12.344 13.178 0.000) 18.057 12.403 ( 21.112 -15.409 0.000) 26.137 12.947 ( 4.141 -5.546 0.000) 6.921 12.984 ( 1.631 14.122 0.000) 14.216 13.307 ( -14.050 -2.627 0.000) 14.293 13.452 ( -13.147 -7.643 0.000) 15.207 13.614 ( -10.582 -10.491 0.000) 14.901 13.716 ( 8.076 -4.302 0.000) 9.151 13.858 ( 20.884 9.291 0.000) 22.858 13.896 ( -19.905 -6.146 0.000) 20.832 14.173 ( 0.799 0.456 0.000) 0.920 14.890 ( -14.715 10.167 0.000) 17.886 14.992 ( -7.883 4.462 0.000) 9.058 15.331 ( -19.811 -2.761 0.000) 20.003 15.357 ( 17.773 18.694 0.000) 25.794 16.084 ( 38.184 1.467 0.000) 38.212 16.239 ( 28.272 2.605 0.000) 28.392 16.570 ( 32.421 -5.089 0.000) 32.818 17.024 ( -21.908 6.053 0.000) 22.729 17.464 ( 6.598 -7.166 0.000) 9.741 17.502 ( 1.024 3.602 0.000) 3.745 18.109 ( -24.030 -8.838 0.000) 25.604 18.485 ( -23.202 0.586 0.000) 23.210 18.609 ( -0.184 -19.959 0.000) 19.960 18.980 ( -4.920 -19.358 0.000) 19.974 19.042 ( -28.506 -3.472 0.000) 28.717 21.412 ( 21.502 6.975 0.000) 22.605 21.690 ( 3.773 9.854 0.000) 10.552 21.870 ( -1.605 4.668 0.000) 4.936 22.180 ( -3.997 1.382 0.000) 4.229 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 13.486 -7.298 0.000) 15.334 2.625 ( 9.684 -3.285 0.000) 10.226 3.001 ( 7.732 11.400 0.000) 13.775 3.029 ( 1.108 2.864 0.000) 3.070 3.380 ( -5.520 1.992 0.000) 5.868 3.416 ( -9.102 1.389 0.000) 9.208 3.672 ( 3.034 -9.274 0.000) 9.757 3.769 ( -4.924 -14.950 0.000) 15.740 4.023 ( 5.501 -4.361 0.000) 7.020 4.164 ( -7.768 -2.839 0.000) 8.270 4.189 ( 2.251 1.822 0.000) 2.896 4.275 ( -5.455 1.396 0.000) 5.631 6.973 ( 15.367 -0.178 0.000) 15.368 7.157 ( 0.861 -4.821 0.000) 4.897 7.393 ( 6.140 2.934 0.000) 6.805 7.434 ( -0.151 3.200 0.000) 3.204 7.712 ( 19.994 -1.343 0.000) 20.039 7.785 ( 17.803 1.647 0.000) 17.879 8.143 ( -12.995 -4.450 0.000) 13.736 8.188 ( -24.072 -7.587 0.000) 25.240 8.965 ( 17.746 7.939 0.000) 19.440 9.359 ( -18.094 15.216 0.000) 23.642 9.936 ( 5.252 4.137 0.000) 6.686 10.122 ( -12.307 4.418 0.000) 13.076 10.798 ( 35.569 3.004 0.000) 35.696 10.876 ( 7.731 2.545 0.000) 8.139 10.937 ( 17.431 -7.366 0.000) 18.924 11.331 ( -0.947 13.534 0.000) 13.567 11.486 ( -12.572 2.225 0.000) 12.767 11.636 ( -29.049 6.303 0.000) 29.725 12.194 ( 27.564 -4.266 0.000) 27.893 12.776 ( -24.908 -11.144 0.000) 27.287 12.846 ( 20.326 -17.679 0.000) 26.939 13.032 ( 3.852 14.504 0.000) 15.007 13.090 ( 1.324 -2.974 0.000) 3.256 13.223 ( -7.853 0.875 0.000) 7.901 13.320 ( -22.744 -6.225 0.000) 23.581 13.351 ( -11.660 -8.145 0.000) 14.223 14.082 ( 21.071 1.603 0.000) 21.131 14.324 ( 20.619 9.581 0.000) 22.736 14.459 ( 16.457 -2.930 0.000) 16.716 14.523 ( -19.738 6.021 0.000) 20.636 14.741 ( -14.177 11.123 0.000) 18.019 14.896 ( -20.419 -1.205 0.000) 20.454 15.811 ( 24.289 12.232 0.000) 27.196 16.352 ( -26.573 7.571 0.000) 27.631 16.841 ( 28.087 -1.514 0.000) 28.128 16.921 ( 38.949 0.138 0.000) 38.949 17.308 ( 1.917 3.304 0.000) 3.820 17.534 ( -1.763 -6.917 0.000) 7.138 17.606 ( 13.934 -7.680 0.000) 15.911 17.680 ( -1.000 -3.168 0.000) 3.322 17.811 ( -33.194 4.449 0.000) 33.491 18.360 ( -35.404 -3.935 0.000) 35.622 18.732 ( 6.430 -21.230 0.000) 22.182 18.865 ( -5.992 -20.397 0.000) 21.259 21.766 ( 3.338 8.333 0.000) 8.976 21.795 ( 13.676 4.286 0.000) 14.332 21.830 ( -1.074 6.540 0.000) 6.628 22.048 ( -8.869 2.495 0.000) 9.214 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.000 32.203 0.000) 32.203 1.606 ( 0.000 37.216 0.000) 37.216 2.463 ( 0.000 18.732 0.000) 18.732 2.597 ( 0.000 33.116 0.000) 33.116 2.961 ( 0.000 -4.869 0.000) 4.869 3.390 ( 0.000 5.339 0.000) 5.339 3.909 ( 0.000 3.886 0.000) 3.886 4.078 ( 0.000 -1.165 0.000) 1.165 4.197 ( 0.000 -10.020 0.000) 10.020 4.314 ( 0.000 -5.064 0.000) 5.064 4.444 ( 0.000 -0.213 0.000) 0.213 4.919 ( 0.000 -8.911 0.000) 8.911 5.657 ( 0.000 1.315 0.000) 1.315 6.425 ( 0.000 15.924 0.000) 15.924 6.489 ( 0.000 -14.314 0.000) 14.314 6.537 ( 0.000 8.722 0.000) 8.722 6.827 ( 0.000 28.349 0.000) 28.349 7.204 ( 0.000 -7.771 0.000) 7.771 7.298 ( 0.000 -14.145 0.000) 14.145 8.072 ( 0.000 5.272 0.000) 5.272 8.927 ( 0.000 -32.682 0.000) 32.682 9.330 ( 0.000 -19.989 0.000) 19.989 9.732 ( 0.000 13.735 0.000) 13.735 10.009 ( 0.000 -15.980 0.000) 15.980 10.564 ( 0.000 12.118 0.000) 12.118 10.582 ( 0.000 12.913 0.000) 12.913 11.000 ( 0.000 25.086 0.000) 25.086 11.088 ( 0.000 -4.558 0.000) 4.558 11.622 ( 0.000 4.617 0.000) 4.617 11.629 ( 0.000 -12.241 0.000) 12.241 12.174 ( 0.000 3.008 0.000) 3.008 12.567 ( 0.000 8.652 0.000) 8.652 12.641 ( 0.000 0.490 0.000) 0.490 12.964 ( 0.000 6.862 0.000) 6.862 12.981 ( 0.000 -0.369 0.000) 0.369 13.061 ( 0.000 13.756 0.000) 13.756 13.316 ( 0.000 -7.782 0.000) 7.782 13.605 ( 0.000 -25.209 0.000) 25.209 13.803 ( 0.000 -20.421 0.000) 20.421 14.055 ( 0.000 -16.239 0.000) 16.239 14.518 ( 0.000 2.487 0.000) 2.487 14.669 ( 0.000 -1.209 0.000) 1.209 15.290 ( 0.000 17.315 0.000) 17.315 15.394 ( 0.000 15.358 0.000) 15.358 15.487 ( 0.000 32.140 0.000) 32.140 15.643 ( 0.000 8.397 0.000) 8.397 16.029 ( 0.000 -4.682 0.000) 4.682 16.082 ( 0.000 -6.045 0.000) 6.045 16.361 ( 0.000 -14.300 0.000) 14.300 17.659 ( 0.000 6.527 0.000) 6.527 17.740 ( 0.000 -36.828 0.000) 36.828 18.395 ( 0.000 -19.268 0.000) 19.268 18.917 ( 0.000 2.527 0.000) 2.527 19.084 ( 0.000 -2.602 0.000) 2.602 19.530 ( 0.000 4.367 0.000) 4.367 19.878 ( 0.000 -5.835 0.000) 5.835 20.541 ( 0.000 26.481 0.000) 26.481 21.753 ( 0.000 -13.425 0.000) 13.425 21.793 ( 0.000 13.907 0.000) 13.907 22.231 ( 0.000 -1.166 0.000) 1.166 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 8.256 30.106 0.000) 31.218 1.725 ( 10.853 32.147 0.000) 33.930 2.539 ( 6.779 8.496 0.000) 10.870 2.838 ( 20.495 29.212 0.000) 35.685 2.954 ( -0.730 -4.587 0.000) 4.645 3.408 ( 1.651 3.391 0.000) 3.772 3.867 ( -3.839 2.672 0.000) 4.678 4.049 ( -3.561 -2.831 0.000) 4.549 4.105 ( -7.055 -7.764 0.000) 10.490 4.313 ( -1.126 -4.874 0.000) 5.002 4.432 ( -1.154 0.077 0.000) 1.156 4.832 ( -8.153 -9.646 0.000) 12.630 5.915 ( 22.716 2.203 0.000) 22.822 6.450 ( 5.381 7.060 0.000) 8.877 6.607 ( 6.541 8.453 0.000) 10.688 6.763 ( 18.898 -0.847 0.000) 18.917 6.920 ( 8.157 24.281 0.000) 25.615 7.250 ( 4.377 -6.286 0.000) 7.660 7.534 ( 20.168 -16.761 0.000) 26.224 8.008 ( -1.197 7.057 0.000) 7.157 8.878 ( -4.927 -31.219 0.000) 31.605 9.221 ( -7.132 -17.311 0.000) 18.723 9.792 ( 5.345 10.883 0.000) 12.125 10.105 ( 6.874 -10.649 0.000) 12.675 10.590 ( 2.463 11.796 0.000) 12.051 10.663 ( 9.011 6.083 0.000) 10.872 10.844 ( -12.834 25.211 0.000) 28.290 11.018 ( -7.490 -3.211 0.000) 8.150 11.565 ( -2.385 -0.365 0.000) 2.413 11.612 ( -0.017 -14.440 0.000) 14.440 12.348 ( 12.474 8.436 0.000) 15.059 12.577 ( -5.153 16.811 0.000) 17.583 12.837 ( 16.224 2.443 0.000) 16.407 12.879 ( -5.349 1.890 0.000) 5.673 13.075 ( 6.353 4.111 0.000) 7.567 13.132 ( 10.354 7.729 0.000) 12.921 13.362 ( 3.133 -11.112 0.000) 11.545 13.560 ( -1.438 -18.904 0.000) 18.959 13.881 ( 3.838 -21.715 0.000) 22.052 13.895 ( -11.267 -15.284 0.000) 18.988 14.791 ( 22.224 2.197 0.000) 22.332 14.924 ( 21.388 -0.637 0.000) 21.397 14.980 ( -16.560 10.520 0.000) 19.619 15.457 ( -14.145 14.117 0.000) 19.984 15.611 ( -0.473 13.345 0.000) 13.354 15.632 ( -1.245 6.263 0.000) 6.386 15.693 ( 3.815 18.593 0.000) 18.980 15.983 ( -9.031 -4.989 0.000) 10.317 16.713 ( 19.182 -13.107 0.000) 23.232 17.594 ( -5.643 8.327 0.000) 10.059 17.777 ( 3.448 -36.562 0.000) 36.724 18.221 ( -15.193 -11.810 0.000) 19.243 18.722 ( -16.067 -0.976 0.000) 16.096 18.954 ( -9.856 -7.316 0.000) 12.275 19.424 ( -10.135 4.438 0.000) 11.064 19.773 ( -10.013 -5.796 0.000) 11.570 20.753 ( 17.663 22.547 0.000) 28.642 21.810 ( 4.149 -10.306 0.000) 11.110 21.810 ( 1.575 13.513 0.000) 13.604 22.235 ( 0.318 -1.017 0.000) 1.065 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 14.442 19.293 0.000) 24.100 2.024 ( 16.482 21.142 0.000) 26.807 2.737 ( 11.529 6.781 0.000) 13.375 2.935 ( -0.671 -4.956 0.000) 5.002 3.272 ( 16.642 7.610 0.000) 18.299 3.445 ( 1.091 -0.099 0.000) 1.095 3.765 ( -5.127 -2.549 0.000) 5.726 3.912 ( -9.445 -5.648 0.000) 11.005 3.956 ( -6.121 -1.352 0.000) 6.269 4.260 ( -3.567 -3.593 0.000) 5.063 4.393 ( -2.789 0.676 0.000) 2.870 4.620 ( -10.837 -5.967 0.000) 12.371 6.486 ( 28.724 2.009 0.000) 28.794 6.600 ( 8.107 10.540 0.000) 13.297 6.796 ( 10.792 6.864 0.000) 12.790 7.125 ( 10.091 12.350 0.000) 15.948 7.152 ( 16.940 5.055 0.000) 17.678 7.384 ( 8.323 -0.250 0.000) 8.327 7.907 ( 13.684 -9.038 0.000) 16.400 8.264 ( 21.694 -5.031 0.000) 22.269 8.704 ( -11.839 -26.358 0.000) 28.895 9.212 ( 12.111 -11.247 0.000) 16.527 9.906 ( 4.965 8.778 0.000) 10.085 10.281 ( 9.664 -7.098 0.000) 11.991 10.516 ( -16.027 27.166 0.000) 31.541 10.679 ( 4.742 7.720 0.000) 9.060 10.797 ( -12.643 1.529 0.000) 12.735 10.943 ( 16.731 0.892 0.000) 16.755 11.560 ( 1.300 -5.582 0.000) 5.731 11.703 ( 9.274 -17.319 0.000) 19.646 12.374 ( -10.973 21.391 0.000) 24.042 12.531 ( -0.308 17.867 0.000) 17.870 12.780 ( -0.735 -5.612 0.000) 5.660 13.137 ( 9.579 6.557 0.000) 11.608 13.257 ( 10.453 4.557 0.000) 11.403 13.337 ( -5.288 -19.296 0.000) 20.007 13.478 ( 17.655 5.440 0.000) 18.474 13.660 ( 9.988 -8.221 0.000) 12.936 13.669 ( -6.644 -11.665 0.000) 13.425 13.805 ( -12.796 -12.735 0.000) 18.053 14.651 ( -19.631 1.929 0.000) 19.726 14.995 ( -13.097 -5.226 0.000) 14.101 15.299 ( 5.350 8.395 0.000) 9.955 15.378 ( 29.302 1.374 0.000) 29.334 15.620 ( -5.633 0.188 0.000) 5.636 15.691 ( 6.235 30.935 0.000) 31.558 15.839 ( 12.246 -5.222 0.000) 13.313 15.971 ( 16.111 18.759 0.000) 24.728 17.055 ( 13.190 -13.497 0.000) 18.872 17.437 ( -10.008 5.323 0.000) 11.336 17.850 ( -17.113 3.392 0.000) 17.446 17.881 ( 6.256 -35.716 0.000) 36.259 18.335 ( -20.082 -10.327 0.000) 22.582 18.739 ( -9.958 -15.791 0.000) 18.668 19.105 ( -20.144 4.684 0.000) 20.681 19.460 ( -19.718 -5.771 0.000) 20.545 21.175 ( 20.828 15.947 0.000) 26.232 21.854 ( 2.407 12.786 0.000) 13.011 21.889 ( 3.037 -4.214 0.000) 5.194 22.236 ( -0.456 -0.493 0.000) 0.672 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 15.975 8.551 0.000) 18.119 2.370 ( 15.183 9.248 0.000) 17.778 2.947 ( 2.296 -5.952 0.000) 6.379 2.998 ( 12.561 6.803 0.000) 14.285 3.410 ( -4.196 -2.383 0.000) 4.825 3.452 ( 0.911 -8.130 0.000) 8.181 3.673 ( -12.499 -7.803 0.000) 14.734 3.682 ( -3.771 -3.588 0.000) 5.205 3.882 ( 0.153 1.160 0.000) 1.170 4.189 ( -2.505 -2.768 0.000) 3.734 4.297 ( -6.875 -0.011 0.000) 6.875 4.416 ( -8.022 -1.578 0.000) 8.176 6.785 ( 10.197 8.612 0.000) 13.348 7.019 ( 9.153 3.882 0.000) 9.942 7.040 ( 22.264 -0.527 0.000) 22.270 7.309 ( 7.275 -0.566 0.000) 7.297 7.476 ( 13.778 6.509 0.000) 15.238 7.592 ( 10.962 5.663 0.000) 12.339 8.097 ( 1.457 -12.537 0.000) 12.622 8.392 ( -17.125 -17.969 0.000) 24.822 8.696 ( 23.097 8.055 0.000) 24.461 9.785 ( 30.128 -10.034 0.000) 31.755 10.044 ( 15.753 9.764 0.000) 18.534 10.162 ( -17.723 25.439 0.000) 31.004 10.508 ( 12.324 -6.725 0.000) 14.040 10.515 ( -13.745 5.844 0.000) 14.936 10.804 ( 6.376 5.627 0.000) 8.504 11.336 ( 18.961 1.797 0.000) 19.046 11.583 ( -0.073 -5.502 0.000) 5.502 11.921 ( 7.046 -10.098 0.000) 12.313 12.250 ( 4.184 10.330 0.000) 11.145 12.298 ( -18.818 10.653 0.000) 21.624 12.814 ( -1.721 -7.081 0.000) 7.287 13.162 ( -10.700 -15.378 0.000) 18.734 13.225 ( -1.590 -1.506 0.000) 2.190 13.298 ( -15.044 0.112 0.000) 15.045 13.430 ( -5.579 3.430 0.000) 6.549 13.654 ( 7.918 -3.348 0.000) 8.597 13.826 ( 0.292 -3.184 0.000) 3.197 14.004 ( 21.978 3.387 0.000) 22.237 14.233 ( -6.261 6.708 0.000) 9.176 14.940 ( 0.087 -9.056 0.000) 9.057 15.100 ( -16.959 10.288 0.000) 19.835 15.282 ( -18.422 -1.624 0.000) 18.493 15.861 ( 10.893 31.528 0.000) 33.357 16.133 ( 38.578 4.027 0.000) 38.787 16.362 ( 20.935 10.489 0.000) 23.416 16.478 ( 34.059 -4.522 0.000) 34.358 17.141 ( -14.829 6.281 0.000) 16.104 17.272 ( 7.698 -12.453 0.000) 14.640 17.608 ( -6.438 6.893 0.000) 9.432 17.886 ( -22.220 -13.138 0.000) 25.814 18.030 ( 7.676 -34.406 0.000) 35.251 18.546 ( -8.560 -23.562 0.000) 25.069 18.584 ( -29.250 5.198 0.000) 29.709 18.950 ( -28.691 -5.867 0.000) 29.285 21.584 ( 17.517 10.130 0.000) 20.235 21.904 ( 2.252 11.270 0.000) 11.492 21.937 ( 1.593 1.321 0.000) 2.070 22.204 ( -2.928 0.605 0.000) 2.990 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 11.044 1.921 0.000) 11.210 2.585 ( 3.203 0.097 0.000) 3.204 3.054 ( 8.112 -3.364 0.000) 8.781 3.194 ( 1.520 8.455 0.000) 8.590 3.342 ( -0.597 -3.890 0.000) 3.936 3.385 ( -3.848 -17.620 0.000) 18.035 3.459 ( -4.262 -3.661 0.000) 5.619 3.554 ( -7.816 -2.182 0.000) 8.115 3.966 ( 6.579 -0.881 0.000) 6.638 4.126 ( -8.385 -0.623 0.000) 8.408 4.181 ( 2.104 -2.587 0.000) 3.335 4.272 ( -6.012 -1.673 0.000) 6.240 7.005 ( 9.451 3.708 0.000) 10.152 7.120 ( -0.458 1.102 0.000) 1.194 7.382 ( 9.378 -4.251 0.000) 10.296 7.429 ( 3.408 -3.498 0.000) 4.884 7.725 ( 10.866 2.519 0.000) 11.154 7.813 ( 8.845 1.080 0.000) 8.911 8.019 ( -6.705 -7.628 0.000) 10.156 8.034 ( -15.045 -7.412 0.000) 16.772 9.238 ( 26.454 20.229 0.000) 33.302 9.751 ( -21.892 24.154 0.000) 32.599 10.037 ( 7.551 5.216 0.000) 9.177 10.241 ( -11.822 7.438 0.000) 13.968 10.772 ( 13.648 -7.844 0.000) 15.741 10.839 ( 41.240 -2.198 0.000) 41.299 10.898 ( 0.705 -0.144 0.000) 0.719 11.509 ( -10.543 -4.058 0.000) 11.297 11.582 ( 3.063 11.584 0.000) 11.982 11.781 ( -26.300 10.045 0.000) 28.153 12.114 ( 17.524 -5.168 0.000) 18.270 12.541 ( 18.240 -9.592 0.000) 20.608 12.553 ( -20.744 -12.176 0.000) 24.053 12.905 ( -14.626 -10.461 0.000) 17.982 13.080 ( -3.494 -7.348 0.000) 8.136 13.116 ( -5.575 -12.942 0.000) 14.092 13.398 ( 1.177 19.634 0.000) 19.670 13.494 ( -9.780 13.481 0.000) 16.655 14.112 ( 20.737 -0.640 0.000) 20.747 14.366 ( 7.413 -6.312 0.000) 9.736 14.424 ( 14.660 1.487 0.000) 14.736 14.700 ( -17.408 11.025 0.000) 20.605 14.872 ( -5.833 0.816 0.000) 5.890 14.919 ( -14.103 3.489 0.000) 14.529 16.166 ( 17.706 24.341 0.000) 30.100 16.565 ( -18.260 14.270 0.000) 23.174 16.832 ( 23.233 1.347 0.000) 23.272 16.949 ( 34.465 3.301 0.000) 34.623 17.366 ( -19.948 -2.995 0.000) 20.172 17.377 ( 1.240 -8.996 0.000) 9.081 17.432 ( 31.017 -3.994 0.000) 31.274 17.600 ( 4.920 -5.172 0.000) 7.139 17.903 ( -33.144 4.615 0.000) 33.463 18.185 ( 0.505 -27.935 0.000) 27.940 18.281 ( -28.388 -9.656 0.000) 29.985 18.373 ( -8.040 -28.750 0.000) 29.854 21.897 ( 11.930 5.723 0.000) 13.232 21.942 ( 1.229 8.928 0.000) 9.012 21.957 ( 0.515 5.589 0.000) 5.613 22.102 ( -7.041 2.561 0.000) 7.492 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 0.000 21.058 0.000) 21.058 2.246 ( 0.000 29.296 0.000) 29.296 2.346 ( 0.000 -11.636 0.000) 11.636 2.716 ( 0.000 -19.415 0.000) 19.415 3.495 ( 0.000 38.977 0.000) 38.977 3.597 ( 0.000 14.147 0.000) 14.147 3.864 ( 0.000 -11.517 0.000) 11.517 3.980 ( 0.000 -12.030 0.000) 12.030 4.101 ( 0.000 3.167 0.000) 3.167 4.205 ( 0.000 -6.103 0.000) 6.103 4.475 ( 0.000 4.549 0.000) 4.549 4.667 ( 0.000 -14.838 0.000) 14.838 5.816 ( 0.000 14.520 0.000) 14.520 6.156 ( 0.000 -19.225 0.000) 19.225 6.734 ( 0.000 11.490 0.000) 11.490 6.734 ( 0.000 15.888 0.000) 15.888 6.958 ( 0.000 -11.080 0.000) 11.080 7.025 ( 0.000 -14.489 0.000) 14.489 7.517 ( 0.000 36.238 0.000) 36.238 8.240 ( 0.000 -37.894 0.000) 37.894 8.302 ( 0.000 19.195 0.000) 19.195 8.792 ( 0.000 -30.330 0.000) 30.330 9.883 ( 0.000 2.835 0.000) 2.835 9.898 ( 0.000 -0.442 0.000) 0.442 10.796 ( 0.000 11.332 0.000) 11.332 10.925 ( 0.000 21.198 0.000) 21.198 10.977 ( 0.000 -7.408 0.000) 7.408 11.324 ( 0.000 -19.146 0.000) 19.146 11.434 ( 0.000 17.173 0.000) 17.173 11.629 ( 0.000 -4.257 0.000) 4.257 12.370 ( 0.000 19.014 0.000) 19.014 12.646 ( 0.000 1.232 0.000) 1.232 12.650 ( 0.000 0.379 0.000) 0.379 12.837 ( 0.000 -23.318 0.000) 23.318 13.099 ( 0.000 6.981 0.000) 6.981 13.171 ( 0.000 1.071 0.000) 1.071 13.289 ( 0.000 -5.811 0.000) 5.811 13.383 ( 0.000 18.191 0.000) 18.191 13.443 ( 0.000 -16.307 0.000) 16.307 13.729 ( 0.000 -17.644 0.000) 17.644 14.572 ( 0.000 3.042 0.000) 3.042 14.629 ( 0.000 -2.750 0.000) 2.750 15.629 ( 0.000 16.301 0.000) 16.301 15.648 ( 0.000 10.607 0.000) 10.607 15.803 ( 0.000 8.137 0.000) 8.137 15.885 ( 0.000 -3.086 0.000) 3.086 15.952 ( 0.000 -7.380 0.000) 7.380 16.049 ( 0.000 -17.215 0.000) 17.215 16.214 ( 0.000 37.100 0.000) 37.100 16.983 ( 0.000 -41.021 0.000) 41.021 17.822 ( 0.000 10.528 0.000) 10.528 18.066 ( 0.000 -14.978 0.000) 14.978 18.971 ( 0.000 3.063 0.000) 3.063 19.030 ( 0.000 -3.013 0.000) 3.013 19.632 ( 0.000 6.115 0.000) 6.115 19.757 ( 0.000 -6.645 0.000) 6.645 21.025 ( 0.000 23.740 0.000) 23.740 21.439 ( 0.000 -19.185 0.000) 19.185 22.028 ( 0.000 10.138 0.000) 10.138 22.174 ( 0.000 -5.075 0.000) 5.075 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 6.545 21.397 0.000) 22.376 2.297 ( 4.674 26.799 0.000) 27.204 2.433 ( 7.692 -11.763 0.000) 14.055 2.731 ( 1.188 -17.884 0.000) 17.924 3.504 ( 0.834 30.481 0.000) 30.492 3.562 ( -2.908 11.296 0.000) 11.665 3.787 ( -6.555 -10.658 0.000) 12.513 3.919 ( -5.739 -12.767 0.000) 13.997 4.080 ( -1.807 4.933 0.000) 5.254 4.200 ( -0.851 -6.573 0.000) 6.628 4.468 ( -0.786 4.250 0.000) 4.322 4.617 ( -4.138 -11.051 0.000) 11.800 6.070 ( 21.762 13.057 0.000) 25.379 6.349 ( 15.688 -13.671 0.000) 20.808 6.793 ( 5.496 10.811 0.000) 12.127 6.929 ( 16.957 14.485 0.000) 22.301 7.004 ( 4.169 -10.315 0.000) 11.126 7.222 ( 17.490 -15.749 0.000) 23.536 7.563 ( 4.090 33.133 0.000) 33.385 8.232 ( -1.069 -35.315 0.000) 35.331 8.260 ( -1.163 19.603 0.000) 19.637 8.737 ( -2.744 -28.382 0.000) 28.515 9.946 ( 5.809 4.687 0.000) 7.464 10.001 ( 7.746 -2.263 0.000) 8.070 10.795 ( -0.100 9.277 0.000) 9.278 10.918 ( 1.817 18.228 0.000) 18.318 10.937 ( -4.103 -5.546 0.000) 6.898 11.287 ( -1.132 -18.973 0.000) 19.007 11.296 ( -11.480 18.961 0.000) 22.165 11.519 ( -7.024 -5.380 0.000) 8.847 12.543 ( 12.215 13.134 0.000) 17.936 12.802 ( 8.174 6.692 0.000) 10.564 12.851 ( -0.492 -13.343 0.000) 13.352 12.861 ( 16.281 -0.325 0.000) 16.284 13.152 ( 0.949 2.741 0.000) 2.901 13.187 ( 5.331 6.432 0.000) 8.354 13.324 ( -0.106 12.636 0.000) 12.636 13.333 ( 4.767 -7.414 0.000) 8.814 13.469 ( 2.264 -19.655 0.000) 19.785 13.598 ( -8.885 -15.358 0.000) 17.743 14.841 ( 22.731 2.837 0.000) 22.907 14.893 ( 22.500 -2.350 0.000) 22.622 15.189 ( -22.828 10.877 0.000) 25.286 15.382 ( -26.516 -8.870 0.000) 27.960 15.754 ( -4.492 6.369 0.000) 7.794 15.874 ( -7.204 -6.101 0.000) 9.440 16.052 ( 15.251 19.667 0.000) 24.888 16.231 ( 4.729 32.385 0.000) 32.728 16.435 ( 17.611 -11.421 0.000) 20.990 17.026 ( 4.074 -40.560 0.000) 40.764 17.765 ( -5.583 9.888 0.000) 11.355 17.978 ( -7.853 -12.350 0.000) 14.635 18.756 ( -18.549 3.448 0.000) 18.866 18.838 ( -15.724 -5.081 0.000) 16.524 19.527 ( -10.025 6.153 0.000) 11.763 19.652 ( -9.987 -6.641 0.000) 11.994 21.177 ( 12.710 21.118 0.000) 24.648 21.545 ( 8.603 -16.904 0.000) 18.967 22.041 ( 1.079 9.893 0.000) 9.952 22.182 ( 0.656 -4.871 0.000) 4.915 ======================= Grid point 29 (18/100) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 8.509 21.936 0.000) 23.529 2.426 ( 7.030 19.891 0.000) 21.097 2.636 ( 10.879 -14.040 0.000) 17.762 2.755 ( 0.987 -13.798 0.000) 13.833 3.498 ( -2.855 5.530 0.000) 6.223 3.507 ( -1.405 13.985 0.000) 14.055 3.637 ( -6.350 -8.284 0.000) 10.438 3.752 ( -9.682 -10.934 0.000) 14.604 4.030 ( -2.883 6.596 0.000) 7.199 4.161 ( -2.794 -6.431 0.000) 7.012 4.431 ( -3.118 3.234 0.000) 4.493 4.511 ( -5.818 -5.038 0.000) 7.696 6.589 ( 24.525 7.420 0.000) 25.623 6.695 ( 15.313 -1.505 0.000) 15.387 6.948 ( 8.640 8.832 0.000) 12.355 7.118 ( 6.198 -8.065 0.000) 10.172 7.315 ( 16.782 12.775 0.000) 21.091 7.617 ( 15.623 -17.566 0.000) 23.508 7.666 ( 5.219 24.476 0.000) 25.026 8.179 ( -4.290 -27.865 0.000) 28.193 8.425 ( 19.390 18.077 0.000) 26.509 8.848 ( 17.650 -23.584 0.000) 29.457 10.073 ( 5.869 7.360 0.000) 9.414 10.179 ( 8.847 -4.346 0.000) 9.857 10.769 ( -5.147 3.457 0.000) 6.200 10.798 ( -7.761 0.263 0.000) 7.766 11.061 ( -8.259 23.882 0.000) 25.270 11.075 ( 13.217 12.001 0.000) 17.852 11.365 ( 9.256 -17.234 0.000) 19.563 11.411 ( -2.775 -11.857 0.000) 12.177 12.709 ( -1.936 0.104 0.000) 1.939 12.762 ( -8.882 18.979 0.000) 20.954 12.772 ( -4.603 -0.254 0.000) 4.610 13.080 ( -0.630 -12.593 0.000) 12.609 13.142 ( -0.699 7.949 0.000) 7.979 13.369 ( 10.309 6.654 0.000) 12.270 13.476 ( -0.574 -18.266 0.000) 18.275 13.516 ( 8.652 -9.059 0.000) 12.527 13.521 ( 7.857 2.576 0.000) 8.269 13.573 ( 17.012 -1.691 0.000) 17.096 14.732 ( -20.313 5.951 0.000) 21.167 14.863 ( -18.708 -7.426 0.000) 20.128 15.389 ( 12.648 2.118 0.000) 12.824 15.407 ( 23.322 0.537 0.000) 23.328 15.657 ( -1.132 3.709 0.000) 3.878 15.742 ( 8.813 -4.801 0.000) 10.036 16.330 ( 10.069 27.287 0.000) 29.085 16.363 ( 9.277 26.293 0.000) 27.882 16.765 ( 13.715 -14.273 0.000) 19.794 17.150 ( 7.571 -38.972 0.000) 39.701 17.578 ( -12.146 9.294 0.000) 15.294 17.775 ( -10.503 -9.901 0.000) 14.434 18.298 ( -22.975 5.917 0.000) 23.725 18.476 ( -17.223 -11.717 0.000) 20.831 19.212 ( -19.881 6.294 0.000) 20.853 19.339 ( -19.762 -6.677 0.000) 20.859 21.481 ( 14.965 15.293 0.000) 21.397 21.739 ( 9.004 -11.080 0.000) 14.277 22.068 ( 1.349 9.090 0.000) 9.190 22.195 ( 0.362 -4.176 0.000) 4.192 ======================= Grid point 30 (19/100) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 9.431 19.410 0.000) 21.580 2.567 ( 5.862 11.060 0.000) 12.517 2.780 ( 2.000 -10.671 0.000) 10.857 2.862 ( 9.817 -18.636 0.000) 21.064 3.423 ( -6.269 5.234 0.000) 8.166 3.435 ( -3.079 4.624 0.000) 5.555 3.545 ( -8.936 -6.469 0.000) 11.032 3.559 ( -1.830 -7.495 0.000) 7.715 3.974 ( -1.631 6.635 0.000) 6.832 4.101 ( -2.211 -6.039 0.000) 6.431 4.322 ( -7.275 2.439 0.000) 7.673 4.375 ( -7.107 -2.700 0.000) 7.603 6.943 ( 9.763 7.125 0.000) 12.087 7.030 ( 15.558 -1.818 0.000) 15.664 7.121 ( 6.765 6.396 0.000) 9.310 7.244 ( 5.349 -5.693 0.000) 7.812 7.609 ( 11.479 8.206 0.000) 14.111 7.769 ( 4.407 12.579 0.000) 13.329 7.819 ( 5.232 -13.886 0.000) 14.839 8.055 ( -7.073 -16.740 0.000) 18.173 9.012 ( 33.031 22.159 0.000) 39.775 9.458 ( 34.485 -22.291 0.000) 41.062 10.237 ( 12.088 9.622 0.000) 15.450 10.392 ( 12.388 -6.437 0.000) 13.960 10.533 ( -13.984 10.436 0.000) 17.449 10.617 ( -11.532 1.655 0.000) 11.650 10.997 ( 0.040 18.497 0.000) 18.497 11.385 ( -1.038 -16.880 0.000) 16.912 11.426 ( 18.560 7.896 0.000) 20.170 11.641 ( 15.196 -14.252 0.000) 20.834 12.445 ( -18.483 7.250 0.000) 19.854 12.579 ( -6.453 19.405 0.000) 20.449 12.638 ( -11.884 -11.829 0.000) 16.768 12.948 ( -7.902 -18.566 0.000) 20.177 13.081 ( -7.251 6.894 0.000) 10.005 13.245 ( -16.018 -6.828 0.000) 17.413 13.638 ( 11.271 2.754 0.000) 11.602 13.704 ( 7.310 15.832 0.000) 17.438 13.734 ( 10.263 -5.951 0.000) 11.863 13.950 ( 15.226 -8.746 0.000) 17.560 14.426 ( -4.320 12.757 0.000) 13.468 14.697 ( 0.496 -14.727 0.000) 14.736 15.243 ( -15.468 4.169 0.000) 16.020 15.274 ( -15.442 0.045 0.000) 15.442 16.243 ( 38.081 7.143 0.000) 38.745 16.379 ( 37.632 -6.282 0.000) 38.153 16.499 ( 7.982 31.914 0.000) 32.897 16.610 ( 12.676 13.399 0.000) 18.445 17.022 ( 11.044 -10.674 0.000) 15.359 17.295 ( -13.204 10.601 0.000) 16.933 17.333 ( 9.670 -36.136 0.000) 37.408 17.545 ( -11.740 -14.154 0.000) 18.389 17.853 ( -18.288 11.297 0.000) 21.497 18.139 ( -14.895 -18.213 0.000) 23.528 18.698 ( -28.862 6.522 0.000) 29.590 18.827 ( -28.775 -6.764 0.000) 29.559 21.773 ( 12.371 8.937 0.000) 15.262 21.906 ( 6.769 -4.554 0.000) 8.159 22.089 ( 0.429 7.527 0.000) 7.539 22.187 ( -1.378 -2.759 0.000) 3.085 ======================= Grid point 31 (20/100) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 4.872 13.245 0.000) 14.113 2.656 ( 2.219 7.555 0.000) 7.874 2.862 ( 5.789 -12.921 0.000) 14.158 2.971 ( -1.616 -20.998 0.000) 21.060 3.333 ( 0.306 5.969 0.000) 5.977 3.377 ( -2.580 5.641 0.000) 6.203 3.423 ( -1.470 -3.251 0.000) 3.568 3.490 ( -5.121 -5.214 0.000) 7.308 4.004 ( 4.795 4.389 0.000) 6.500 4.102 ( 2.971 -5.153 0.000) 5.949 4.150 ( -8.314 2.945 0.000) 8.820 4.219 ( -7.293 -3.599 0.000) 8.132 7.112 ( 6.395 7.171 0.000) 9.608 7.190 ( -0.488 5.797 0.000) 5.818 7.260 ( 6.774 -7.679 0.000) 10.239 7.320 ( 1.042 -7.049 0.000) 7.126 7.788 ( 5.710 3.935 0.000) 6.935 7.843 ( 1.911 2.568 0.000) 3.201 7.883 ( 1.029 -6.125 0.000) 6.211 7.916 ( -5.026 -5.012 0.000) 7.098 9.682 ( 28.718 23.755 0.000) 37.270 10.032 ( 18.508 -9.370 0.000) 20.745 10.187 ( -19.664 17.874 0.000) 26.573 10.349 ( -13.543 0.953 0.000) 13.576 10.658 ( 21.239 -0.754 0.000) 21.253 10.744 ( 25.294 -6.907 0.000) 26.220 10.946 ( -7.208 8.805 0.000) 11.379 11.259 ( -15.015 -19.426 0.000) 24.552 11.771 ( 12.197 8.970 0.000) 15.140 11.953 ( 15.223 -10.095 0.000) 18.267 12.029 ( -17.162 14.663 0.000) 22.573 12.306 ( -17.747 -13.739 0.000) 22.444 12.573 ( 7.096 10.527 0.000) 12.695 12.829 ( -14.641 2.206 0.000) 14.807 12.835 ( -1.369 -15.224 0.000) 15.286 12.934 ( -10.956 -7.424 0.000) 13.234 13.765 ( 2.983 14.015 0.000) 14.329 13.790 ( 1.028 20.064 0.000) 20.090 14.002 ( 12.653 -10.039 0.000) 16.152 14.140 ( 1.477 -15.856 0.000) 15.925 14.557 ( 13.363 10.936 0.000) 17.267 14.773 ( 5.728 -9.902 0.000) 11.439 14.885 ( -16.954 7.511 0.000) 18.543 14.964 ( -13.014 -0.394 0.000) 13.020 16.683 ( 9.630 25.931 0.000) 27.661 16.859 ( -0.181 14.448 0.000) 14.449 16.889 ( 13.787 2.611 0.000) 14.032 17.041 ( 20.559 0.929 0.000) 20.580 17.209 ( 5.425 -0.534 0.000) 5.451 17.233 ( 8.652 -2.530 0.000) 9.014 17.406 ( 17.844 -9.806 0.000) 20.361 17.545 ( 9.641 -31.235 0.000) 32.689 17.575 ( -5.062 7.516 0.000) 9.062 17.856 ( -11.258 -22.399 0.000) 25.069 18.027 ( -33.273 5.919 0.000) 33.795 18.149 ( -34.790 -6.551 0.000) 35.402 21.991 ( 8.341 3.641 0.000) 9.101 22.021 ( 4.200 0.852 0.000) 4.285 22.078 ( -1.566 4.920 0.000) 5.163 22.127 ( -4.468 -0.304 0.000) 4.479 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 0.000 35.736) 35.736 0.928 ( 0.000 0.000 42.517) 42.517 1.462 ( 0.000 0.000 65.353) 65.353 2.674 ( 0.000 0.000 5.190) 5.190 2.925 ( 0.000 0.000 3.681) 3.681 3.306 ( 0.000 0.000 -10.346) 10.346 3.799 ( 0.000 0.000 -1.550) 1.550 4.047 ( 0.000 0.000 -2.709) 2.709 4.383 ( 0.000 0.000 -3.382) 3.382 4.419 ( 0.000 0.000 0.027) 0.027 4.423 ( 0.000 0.000 -4.728) 4.728 4.961 ( 0.000 0.000 -7.348) 7.348 5.946 ( 0.000 0.000 9.056) 9.056 6.022 ( 0.000 0.000 6.934) 6.934 6.226 ( 0.000 0.000 5.921) 5.921 6.278 ( 0.000 0.000 6.744) 6.744 6.784 ( 0.000 0.000 2.904) 2.904 7.665 ( 0.000 0.000 3.745) 3.745 7.682 ( 0.000 0.000 26.553) 26.553 8.167 ( 0.000 0.000 -7.931) 7.931 9.194 ( 0.000 0.000 -4.717) 4.717 9.444 ( 0.000 0.000 -5.685) 5.685 9.627 ( 0.000 0.000 -3.668) 3.668 10.212 ( 0.000 0.000 -18.801) 18.801 10.285 ( 0.000 0.000 -8.137) 8.137 10.345 ( 0.000 0.000 5.600) 5.600 10.857 ( 0.000 0.000 -3.445) 3.445 11.312 ( 0.000 0.000 -6.207) 6.207 11.565 ( 0.000 0.000 17.035) 17.035 11.883 ( 0.000 0.000 10.441) 10.441 11.889 ( 0.000 0.000 -11.922) 11.922 12.431 ( 0.000 0.000 12.624) 12.624 12.633 ( 0.000 0.000 2.008) 2.008 12.833 ( 0.000 0.000 0.556) 0.556 12.933 ( 0.000 0.000 12.458) 12.458 12.970 ( 0.000 0.000 9.436) 9.436 13.053 ( 0.000 0.000 -8.952) 8.952 14.273 ( 0.000 0.000 -20.276) 20.276 14.362 ( 0.000 0.000 -4.139) 4.139 14.385 ( 0.000 0.000 -7.456) 7.456 14.426 ( 0.000 0.000 -5.442) 5.442 14.578 ( 0.000 0.000 4.079) 4.079 14.886 ( 0.000 0.000 22.780) 22.780 14.954 ( 0.000 0.000 12.669) 12.669 15.045 ( 0.000 0.000 5.085) 5.085 15.554 ( 0.000 0.000 8.344) 8.344 15.652 ( 0.000 0.000 -35.123) 35.123 16.105 ( 0.000 0.000 0.916) 0.916 17.117 ( 0.000 0.000 26.465) 26.465 18.494 ( 0.000 0.000 -16.015) 16.015 18.523 ( 0.000 0.000 0.302) 0.302 18.764 ( 0.000 0.000 -8.828) 8.828 18.829 ( 0.000 0.000 -21.729) 21.729 18.931 ( 0.000 0.000 -6.435) 6.435 19.118 ( 0.000 0.000 -10.627) 10.627 19.322 ( 0.000 0.000 -2.030) 2.030 20.374 ( 0.000 0.000 34.982) 34.982 21.435 ( 0.000 0.000 2.873) 2.873 22.240 ( 0.000 0.000 0.973) 0.973 22.257 ( 0.000 0.000 -2.142) 2.142 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 20.955 0.000 23.546) 31.520 1.283 ( 28.358 0.000 28.077) 39.906 1.902 ( 31.514 0.000 49.341) 58.547 2.797 ( 13.740 0.000 2.312) 13.933 2.950 ( 2.229 0.000 3.600) 4.235 3.328 ( 1.899 0.000 -10.121) 10.298 3.740 ( -4.525 0.000 -3.094) 5.482 4.055 ( -1.562 0.000 -3.418) 3.758 4.337 ( -4.177 0.000 -3.355) 5.358 4.360 ( -4.392 0.000 -0.762) 4.457 4.386 ( -2.840 0.000 -3.175) 4.260 4.904 ( -6.522 0.000 -8.047) 10.358 6.103 ( 13.800 0.000 12.486) 18.611 6.130 ( 9.502 0.000 -7.521) 12.119 6.305 ( 8.970 0.000 5.351) 10.444 6.412 ( 12.116 0.000 5.629) 13.360 6.947 ( 12.304 0.000 5.590) 13.514 7.681 ( 2.265 0.000 22.820) 22.933 7.997 ( 27.802 0.000 5.424) 28.326 8.282 ( 3.847 0.000 3.162) 4.980 9.111 ( -6.417 0.000 -10.669) 12.450 9.597 ( 4.910 0.000 -5.450) 7.336 9.653 ( 7.287 0.000 3.959) 8.293 9.995 ( -19.947 0.000 -13.335) 23.994 10.263 ( 1.924 0.000 -4.219) 4.637 10.353 ( 2.615 0.000 1.373) 2.954 11.073 ( 11.975 0.000 -8.891) 14.915 11.353 ( -12.243 0.000 18.927) 22.542 11.423 ( 7.147 0.000 -7.582) 10.419 11.845 ( -2.408 0.000 11.409) 11.661 11.856 ( -2.486 0.000 -10.440) 10.732 12.307 ( -7.730 0.000 5.401) 9.430 12.651 ( 1.716 0.000 -2.612) 3.125 12.803 ( -0.727 0.000 -0.950) 1.196 12.964 ( 3.383 0.000 -4.453) 5.592 13.126 ( 15.346 0.000 17.314) 23.136 13.348 ( 17.698 0.000 -1.541) 17.765 14.064 ( -16.644 0.000 -21.125) 26.894 14.131 ( -10.511 0.000 -7.990) 13.203 14.412 ( -0.404 0.000 -15.484) 15.489 14.467 ( -8.495 0.000 4.805) 9.759 14.776 ( 17.072 0.000 -5.963) 18.084 15.035 ( 9.291 0.000 17.343) 19.675 15.101 ( 18.391 0.000 16.448) 24.673 15.177 ( 6.139 0.000 9.388) 11.217 15.484 ( -9.080 0.000 -12.649) 15.571 15.540 ( -4.743 0.000 -8.907) 10.091 15.948 ( -6.954 0.000 5.245) 8.710 17.325 ( 15.153 0.000 23.800) 28.214 17.828 ( -21.550 0.000 25.293) 33.228 18.063 ( -31.251 0.000 -25.652) 40.431 18.659 ( 1.670 0.000 3.511) 3.888 18.907 ( -10.661 0.000 -9.339) 14.173 19.144 ( 7.557 0.000 -14.699) 16.528 19.307 ( -1.431 0.000 -1.710) 2.229 19.635 ( 14.643 0.000 -17.348) 22.702 20.494 ( 12.169 0.000 25.376) 28.143 21.438 ( 0.427 0.000 1.115) 1.194 21.957 ( -16.024 0.000 2.838) 16.274 22.232 ( -0.804 0.000 0.156) 0.819 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 25.025 0.000 7.256) 26.056 1.930 ( 30.586 0.000 14.251) 33.743 2.421 ( 16.687 0.000 29.884) 34.227 3.009 ( 3.059 0.000 3.427) 4.594 3.267 ( 25.513 0.000 2.703) 25.656 3.380 ( 3.337 0.000 -10.185) 10.717 3.659 ( -1.980 0.000 -5.314) 5.671 3.936 ( -9.304 0.000 -3.153) 9.824 4.225 ( -5.957 0.000 -3.315) 6.817 4.259 ( -4.366 0.000 3.467) 5.575 4.332 ( -2.530 0.000 -4.045) 4.771 4.684 ( -13.342 0.000 -6.882) 15.012 6.375 ( 12.204 0.000 10.899) 16.362 6.410 ( 17.024 0.000 -11.773) 20.699 6.706 ( 26.733 0.000 8.993) 28.205 6.746 ( 18.594 0.000 2.742) 18.795 7.256 ( 16.340 0.000 12.705) 20.698 7.743 ( 3.119 0.000 23.625) 23.830 8.309 ( 0.915 0.000 12.583) 12.616 8.772 ( 43.737 0.000 1.056) 43.750 8.944 ( -9.062 0.000 -13.166) 15.983 9.473 ( -28.209 0.000 -8.853) 29.565 9.535 ( -7.657 0.000 -8.618) 11.529 9.886 ( 9.792 0.000 12.943) 16.229 10.445 ( 14.158 0.000 -0.208) 14.159 10.450 ( 6.410 0.000 -0.603) 6.438 10.911 ( -17.476 0.000 10.481) 20.378 11.405 ( 7.201 0.000 0.520) 7.220 11.470 ( -3.768 0.000 -5.791) 6.909 11.848 ( 2.623 0.000 8.472) 8.869 11.910 ( 9.055 0.000 -12.084) 15.100 12.186 ( -2.948 0.000 0.902) 3.083 12.703 ( 3.036 0.000 -8.420) 8.951 12.806 ( 0.856 0.000 -2.540) 2.680 13.093 ( 8.644 0.000 -10.286) 13.436 13.523 ( 21.176 0.000 21.196) 29.961 13.644 ( -22.376 0.000 -24.686) 33.318 13.712 ( 16.863 0.000 4.813) 17.537 13.922 ( -9.365 0.000 -10.443) 14.027 14.089 ( -18.210 0.000 -2.871) 18.435 14.601 ( -30.066 0.000 -11.796) 32.298 14.625 ( 13.104 0.000 -11.653) 17.535 15.214 ( -2.670 0.000 17.684) 17.884 15.229 ( -1.152 0.000 13.308) 13.358 15.367 ( -3.876 0.000 -21.834) 22.175 15.597 ( 17.042 0.000 -4.282) 17.571 15.629 ( 30.318 0.000 21.094) 36.934 16.115 ( 24.738 0.000 15.872) 29.392 17.378 ( -32.988 0.000 -22.993) 40.210 17.612 ( 7.475 0.000 21.778) 23.026 17.643 ( 3.167 0.000 20.022) 20.271 18.583 ( -19.514 0.000 -8.465) 21.270 18.728 ( 4.311 0.000 3.876) 5.797 19.070 ( -13.265 0.000 0.956) 13.299 19.262 ( -2.981 0.000 -0.776) 3.080 19.614 ( -13.120 0.000 1.203) 13.175 20.865 ( 21.259 0.000 7.172) 22.436 21.458 ( 1.455 0.000 -3.369) 3.670 21.740 ( -5.854 0.000 -9.001) 10.737 22.200 ( -2.420 0.000 -1.875) 3.062 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 23.624 0.000 -2.996) 23.813 2.499 ( 22.691 0.000 7.312) 23.840 2.699 ( 10.996 0.000 17.019) 20.262 3.059 ( 1.170 0.000 3.316) 3.517 3.385 ( -3.066 0.000 -10.403) 10.845 3.512 ( -3.807 0.000 -5.683) 6.840 3.749 ( -2.857 0.000 -8.237) 8.718 3.804 ( 9.308 0.000 8.839) 12.836 4.113 ( -4.032 0.000 -3.419) 5.286 4.201 ( -0.651 0.000 0.723) 0.973 4.275 ( -2.713 0.000 2.481) 3.676 4.397 ( -12.915 0.000 -5.253) 13.943 6.685 ( 17.834 0.000 9.420) 20.169 6.825 ( 21.569 0.000 -7.944) 22.985 7.147 ( 18.341 0.000 -0.029) 18.341 7.259 ( 22.852 0.000 8.449) 24.364 7.585 ( 13.970 0.000 18.603) 23.264 7.792 ( 1.512 0.000 25.214) 25.259 8.344 ( 0.020 0.000 6.352) 6.352 8.777 ( -4.287 0.000 -6.213) 7.549 8.857 ( -29.248 0.000 -4.437) 29.582 9.312 ( -12.452 0.000 -13.911) 18.670 9.747 ( 47.301 0.000 -3.029) 47.398 10.019 ( 2.823 0.000 15.084) 15.346 10.494 ( -16.173 0.000 8.555) 18.296 10.617 ( 9.381 0.000 -0.952) 9.429 10.826 ( 15.985 0.000 7.581) 17.692 11.317 ( -9.546 0.000 -2.241) 9.806 11.640 ( 16.895 0.000 -1.539) 16.965 11.845 ( -6.208 0.000 0.822) 6.263 11.905 ( -8.640 0.000 4.461) 9.724 12.398 ( 19.939 0.000 -15.002) 24.953 12.764 ( 2.098 0.000 -9.054) 9.294 12.847 ( 3.500 0.000 -7.876) 8.618 13.178 ( -18.862 0.000 -19.557) 27.171 13.241 ( 0.051 0.000 -13.016) 13.016 13.684 ( -17.595 0.000 -4.380) 18.132 13.788 ( 0.283 0.000 -9.185) 9.190 13.864 ( -31.604 0.000 -10.884) 33.426 14.015 ( 22.120 0.000 22.487) 31.543 14.081 ( 13.028 0.000 3.754) 13.558 14.969 ( 17.535 0.000 -13.468) 22.110 14.974 ( -15.497 0.000 -1.835) 15.605 15.134 ( -5.938 0.000 15.889) 16.963 15.170 ( -12.594 0.000 0.986) 12.632 16.164 ( 30.792 0.000 -4.429) 31.109 16.339 ( 35.358 0.000 20.748) 40.996 16.705 ( -29.669 0.000 -19.680) 35.603 16.804 ( 36.954 0.000 14.190) 39.585 17.675 ( 3.804 0.000 16.659) 17.088 17.799 ( 4.783 0.000 21.273) 21.804 18.119 ( -23.453 0.000 -6.508) 24.339 18.624 ( -26.164 0.000 12.168) 28.855 18.846 ( 4.785 0.000 1.635) 5.056 19.180 ( -26.888 0.000 8.776) 28.284 19.184 ( -4.335 0.000 -0.031) 4.336 21.314 ( 20.376 0.000 -2.340) 20.510 21.498 ( 2.328 0.000 -7.980) 8.312 21.658 ( -2.743 0.000 -13.827) 14.096 22.120 ( -5.448 0.000 -4.160) 6.854 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 19.952 0.000 -6.328) 20.932 2.812 ( -4.760 0.000 1.618) 5.027 2.866 ( 12.390 0.000 4.382) 13.142 3.034 ( -4.091 0.000 3.470) 5.365 3.276 ( -0.783 0.000 -3.910) 3.987 3.386 ( -7.244 0.000 -3.214) 7.925 3.782 ( 4.687 0.000 -4.598) 6.565 3.871 ( -2.289 0.000 0.004) 2.289 4.080 ( 1.271 0.000 -3.761) 3.970 4.175 ( -7.754 0.000 -4.316) 8.874 4.215 ( 0.881 0.000 1.483) 1.725 4.233 ( -1.113 0.000 8.591) 8.663 7.109 ( 21.258 0.000 9.182) 23.156 7.247 ( 16.404 0.000 0.157) 16.405 7.411 ( 3.088 0.000 2.889) 4.229 7.462 ( -7.619 0.000 8.946) 11.751 7.859 ( 14.237 0.000 9.861) 17.319 7.918 ( 13.902 0.000 18.587) 23.211 8.183 ( -14.225 0.000 -0.555) 14.236 8.301 ( -22.438 0.000 4.205) 22.829 8.850 ( 9.015 0.000 -1.699) 9.173 9.061 ( -10.822 0.000 -11.571) 15.843 10.052 ( 2.382 0.000 12.750) 12.971 10.189 ( -11.134 0.000 9.738) 14.792 10.689 ( 39.602 0.000 -6.443) 40.122 10.835 ( 11.108 0.000 -0.742) 11.133 11.104 ( -9.108 0.000 -1.896) 9.303 11.198 ( 18.603 0.000 10.200) 21.216 11.487 ( -27.821 0.000 -7.062) 28.704 11.577 ( -16.487 0.000 8.369) 18.489 12.204 ( 29.957 0.000 -4.282) 30.261 12.782 ( 0.695 0.000 -16.970) 16.985 12.793 ( 1.425 0.000 -8.549) 8.667 12.853 ( -4.614 0.000 -13.552) 14.316 12.947 ( -10.457 0.000 -6.879) 12.516 13.052 ( 8.439 0.000 -6.737) 10.798 13.277 ( -20.785 0.000 -15.964) 26.208 13.322 ( -15.825 0.000 -6.849) 17.243 14.020 ( 17.144 0.000 -13.954) 22.105 14.297 ( -1.040 0.000 -7.290) 7.364 14.474 ( 20.508 0.000 22.092) 30.144 14.703 ( -3.122 0.000 5.633) 6.441 14.854 ( -15.312 0.000 19.941) 25.142 14.886 ( -13.658 0.000 11.313) 17.735 15.478 ( 25.379 0.000 -16.707) 30.384 16.052 ( -28.897 0.000 -18.692) 34.415 16.812 ( 30.202 0.000 -4.380) 30.518 17.168 ( 39.135 0.000 19.831) 43.873 17.344 ( -9.560 0.000 2.349) 9.845 17.737 ( 11.095 0.000 6.373) 12.795 17.821 ( 1.943 0.000 16.968) 17.079 17.885 ( 10.380 0.000 17.560) 20.398 17.963 ( -35.592 0.000 16.656) 39.296 18.525 ( -34.449 0.000 11.060) 36.181 18.964 ( 5.801 0.000 1.496) 5.991 19.082 ( -5.324 0.000 0.754) 5.377 21.551 ( 2.643 0.000 -11.532) 11.831 21.605 ( -2.479 0.000 -13.702) 13.924 21.694 ( 15.483 0.000 -5.570) 16.455 21.961 ( -9.999 0.000 -5.704) 11.512 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 21.082 26.823) 34.116 1.104 ( 0.000 27.952 22.853) 36.105 2.019 ( 0.000 43.569 46.159) 63.473 2.653 ( 0.000 -2.239 5.282) 5.737 2.970 ( 0.000 3.561 3.022) 4.671 3.280 ( 0.000 -1.923 -9.580) 9.771 3.827 ( 0.000 2.887 -1.216) 3.132 4.041 ( 0.000 -0.667 -3.530) 3.593 4.312 ( 0.000 -4.637 -7.037) 8.427 4.392 ( 0.000 -2.742 -0.063) 2.742 4.418 ( 0.000 -2.476 -0.948) 2.651 4.941 ( 0.000 -2.389 -7.751) 8.111 5.834 ( 0.000 -5.042 10.962) 12.066 6.199 ( 0.000 12.180 5.595) 13.403 6.435 ( 0.000 13.618 4.299) 14.281 6.442 ( 0.000 16.683 6.509) 17.908 6.740 ( 0.000 -3.900 3.429) 5.193 7.576 ( 0.000 -8.990 3.492) 9.644 7.631 ( 0.000 -5.385 26.310) 26.856 7.950 ( 0.000 -11.970 -5.727) 13.270 9.255 ( 0.000 -1.526 -9.846) 9.964 9.408 ( 0.000 -4.413 -8.222) 9.331 9.498 ( 0.000 -5.742 -0.353) 5.753 10.239 ( 0.000 -4.874 -17.679) 18.338 10.295 ( 0.000 2.576 -8.524) 8.904 10.418 ( 0.000 7.438 3.740) 8.326 10.685 ( 0.000 -5.577 2.418) 6.079 11.315 ( 0.000 -2.637 1.409) 2.990 11.568 ( 0.000 5.166 12.949) 13.941 11.733 ( 0.000 -4.293 -4.310) 6.083 12.191 ( 0.000 11.315 3.841) 11.949 12.431 ( 0.000 4.885 9.570) 10.744 12.669 ( 0.000 0.365 3.018) 3.040 12.898 ( 0.000 0.027 5.781) 5.781 12.939 ( 0.000 -0.320 -5.281) 5.291 13.087 ( 0.000 8.301 15.702) 17.761 13.188 ( 0.000 13.308 -11.785) 17.776 14.036 ( 0.000 -20.624 -11.242) 23.489 14.065 ( 0.000 -18.483 -0.036) 18.483 14.253 ( 0.000 -7.514 -15.635) 17.347 14.644 ( 0.000 7.771 8.438) 11.471 14.794 ( 0.000 3.165 10.009) 10.497 14.935 ( 0.000 16.375 4.339) 16.940 15.066 ( 0.000 4.897 9.135) 10.365 15.067 ( 0.000 11.024 2.302) 11.262 15.611 ( 0.000 -4.064 -34.886) 35.122 15.674 ( 0.000 9.990 8.155) 12.896 16.076 ( 0.000 -2.647 1.855) 3.232 17.045 ( 0.000 -7.344 26.157) 27.169 18.057 ( 0.000 -22.764 23.654) 32.829 18.311 ( 0.000 -19.354 -6.496) 20.415 18.603 ( 0.000 -17.176 -14.548) 22.509 18.783 ( 0.000 1.501 -9.018) 9.142 18.978 ( 0.000 1.360 -12.678) 12.751 19.144 ( 0.000 2.565 -15.932) 16.137 19.538 ( 0.000 7.108 -22.099) 23.214 20.521 ( 0.000 14.197 30.725) 33.847 21.559 ( 0.000 11.622 2.565) 11.901 22.132 ( 0.000 -9.934 6.029) 11.620 22.246 ( 0.000 0.357 1.001) 1.063 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 15.916 23.469 17.060) 33.093 1.339 ( 23.387 11.795 23.353) 35.092 2.305 ( 20.187 32.368 36.327) 52.677 2.778 ( 14.674 -1.291 3.225) 15.079 2.981 ( 1.098 2.256 2.912) 3.843 3.308 ( 2.476 -1.482 -9.279) 9.717 3.770 ( -4.532 3.042 -2.912) 6.186 4.038 ( -1.899 -1.581 -3.522) 4.302 4.246 ( -5.814 -6.325 -3.319) 9.210 4.361 ( -2.071 -1.878 -2.578) 3.803 4.389 ( -2.676 -0.355 -1.389) 3.036 4.875 ( -7.114 -3.304 -8.078) 11.259 6.029 ( 16.925 -3.373 5.904) 18.239 6.246 ( 6.912 10.266 5.768) 13.655 6.509 ( 6.801 15.116 4.043) 17.061 6.560 ( 10.620 15.418 4.580) 19.274 6.919 ( 14.173 -2.933 6.094) 15.704 7.620 ( 2.548 -6.186 21.007) 22.047 7.883 ( 23.787 -12.130 5.553) 27.272 8.064 ( 8.011 -13.375 4.697) 16.283 9.147 ( -6.425 0.153 -11.635) 13.292 9.375 ( -6.539 -18.599 -5.702) 20.523 9.656 ( 12.429 2.302 1.627) 12.745 10.133 ( -4.414 5.279 -10.784) 12.792 10.308 ( -2.470 8.652 -9.906) 13.383 10.460 ( 1.340 9.588 5.409) 11.090 10.761 ( 8.237 -19.606 -2.501) 21.412 11.286 ( -7.537 -4.909 12.804) 15.647 11.475 ( 0.698 1.138 -4.527) 4.720 11.810 ( 4.416 -0.005 0.172) 4.420 12.173 ( -4.479 19.392 1.167) 19.937 12.302 ( -6.182 2.303 3.991) 7.710 12.692 ( 0.920 2.502 -2.242) 3.484 12.915 ( 1.806 3.809 3.626) 5.560 12.965 ( 3.826 -0.105 -2.411) 4.523 13.185 ( 9.055 8.672 4.757) 13.410 13.398 ( 16.372 4.386 5.239) 17.740 13.784 ( -13.422 -19.465 -14.859) 27.925 14.071 ( -7.475 -8.773 -6.315) 13.142 14.323 ( -0.496 -12.117 -3.972) 12.761 14.628 ( 0.350 11.022 -4.946) 12.086 14.823 ( 3.830 4.705 0.298) 6.074 15.051 ( 2.972 5.891 3.217) 7.341 15.141 ( 16.932 5.835 13.998) 22.730 15.262 ( 10.675 6.037 8.019) 14.653 15.458 ( -10.586 -2.753 -19.029) 21.949 15.654 ( -3.819 8.816 -5.270) 10.958 15.944 ( -4.067 1.249 11.122) 11.907 17.254 ( 15.008 -7.353 23.316) 28.687 17.779 ( -14.834 -3.366 20.191) 25.279 18.073 ( -25.041 -0.774 -21.138) 32.779 18.439 ( -0.213 -21.492 3.117) 21.718 18.774 ( -7.534 -10.528 -7.105) 14.767 19.065 ( 0.318 -14.964 -5.844) 16.068 19.196 ( 3.000 3.426 -12.904) 13.684 19.673 ( 4.736 -0.056 -14.455) 15.211 20.632 ( 11.048 13.323 22.052) 28.033 21.562 ( 0.345 11.551 0.933) 11.594 21.965 ( -10.733 -1.192 2.088) 10.999 22.238 ( -0.750 0.470 0.145) 0.897 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 19.796 13.656 8.015) 25.350 1.905 ( 27.748 2.346 16.016) 32.124 2.623 ( 11.407 14.940 18.235) 26.189 2.996 ( 1.592 -1.437 1.845) 2.829 3.277 ( 24.330 0.496 4.301) 24.712 3.371 ( 3.146 -0.279 -8.178) 8.767 3.676 ( -3.731 1.540 -5.755) 7.029 3.918 ( -8.984 -1.573 -2.674) 9.504 4.121 ( -5.095 -6.603 0.412) 8.350 4.310 ( -3.914 0.876 2.304) 4.625 4.316 ( -3.050 -1.010 -6.445) 7.201 4.654 ( -12.795 -3.058 -6.236) 14.559 6.376 ( 14.138 2.660 -4.123) 14.965 6.540 ( 18.778 9.513 11.124) 23.809 6.771 ( 19.387 7.033 7.076) 21.804 6.860 ( 17.454 11.772 1.611) 21.115 7.260 ( 17.151 0.484 12.267) 21.092 7.694 ( 4.175 -5.237 22.261) 23.247 8.173 ( 6.650 -11.208 10.729) 16.881 8.522 ( 24.239 -16.282 -1.097) 29.220 9.062 ( -5.168 -9.082 -7.910) 13.105 9.166 ( -2.121 -3.560 -7.283) 8.379 9.894 ( 7.459 2.085 9.115) 11.961 9.925 ( -14.015 22.883 -8.914) 28.275 10.399 ( 11.837 -2.508 -2.848) 12.430 10.524 ( 4.772 2.793 0.654) 5.568 10.809 ( -8.407 -7.987 3.094) 12.002 11.164 ( 2.798 -7.100 7.315) 10.571 11.595 ( 7.013 -4.751 -6.840) 10.888 11.897 ( 0.423 -0.074 -5.819) 5.835 12.022 ( -0.983 14.096 5.495) 15.161 12.259 ( -2.270 10.671 1.014) 10.956 12.725 ( 2.628 1.042 -8.527) 8.984 12.947 ( 1.632 10.387 -1.505) 10.622 13.087 ( 6.548 0.759 -8.560) 10.804 13.396 ( -1.256 -14.898 -6.358) 16.247 13.557 ( 2.929 -2.428 -8.063) 8.916 13.778 ( 16.429 4.457 11.779) 20.701 13.830 ( -11.633 -6.364 -3.345) 13.676 14.121 ( -13.742 -0.384 0.263) 13.750 14.597 ( -24.074 -1.864 -8.281) 25.527 14.794 ( 4.906 9.757 -9.372) 14.391 14.997 ( 0.252 1.199 0.299) 1.262 15.325 ( -6.847 -2.724 -20.454) 21.741 15.421 ( 2.096 -2.697 2.579) 4.280 15.639 ( 21.761 10.467 18.923) 30.678 15.746 ( 23.179 9.233 9.306) 26.629 16.113 ( 21.481 1.613 17.491) 27.748 17.391 ( -25.561 1.184 -14.244) 29.285 17.559 ( 9.610 -6.388 20.909) 23.882 17.677 ( -4.779 4.321 11.417) 13.109 18.484 ( -14.061 -12.452 -4.990) 19.434 18.504 ( 0.302 -19.630 1.095) 19.663 19.024 ( -4.194 -18.248 -3.273) 19.007 19.095 ( -12.514 0.065 2.251) 12.715 19.581 ( -13.141 -3.279 1.284) 13.604 20.967 ( 19.314 9.979 6.036) 22.562 21.577 ( 1.114 11.120 -3.193) 11.623 21.798 ( -5.092 4.033 -8.113) 10.393 22.209 ( -2.248 0.713 -1.925) 3.045 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 20.039 5.280 0.121) 20.724 2.432 ( 21.192 -2.165 11.207) 24.071 2.847 ( 9.709 10.450 8.034) 16.371 3.028 ( 1.320 -3.092 1.227) 3.579 3.378 ( -3.335 -1.462 -8.994) 9.703 3.535 ( -1.763 2.044 -2.958) 4.004 3.673 ( 2.276 -8.828 -7.815) 12.008 3.758 ( -2.950 -2.132 5.592) 6.672 4.056 ( -0.988 -5.415 2.573) 6.076 4.219 ( -4.069 0.755 -1.623) 4.446 4.255 ( -2.785 -1.414 -0.960) 3.268 4.391 ( -10.889 -0.736 -3.772) 11.547 6.685 ( 16.148 2.242 2.402) 16.479 6.957 ( 20.584 10.310 3.869) 23.344 7.167 ( 15.730 1.815 5.322) 16.705 7.301 ( 21.955 5.236 4.360) 22.988 7.585 ( 12.524 0.003 18.069) 21.985 7.784 ( 4.576 -1.437 23.022) 23.516 8.282 ( 0.659 -6.130 3.911) 7.301 8.662 ( -16.774 -12.695 -4.816) 21.581 8.717 ( -1.139 -6.809 -1.120) 6.993 9.559 ( -16.670 20.939 -12.081) 29.365 9.781 ( 39.754 2.344 -5.057) 40.143 10.018 ( 3.685 0.397 10.297) 10.944 10.495 ( -11.990 0.072 4.674) 12.869 10.666 ( 6.687 3.147 -0.012) 7.390 10.728 ( 14.750 -7.083 5.491) 17.259 11.329 ( 6.417 0.613 -0.972) 6.519 11.675 ( 2.754 -1.818 0.278) 3.312 11.820 ( -2.397 5.743 0.200) 6.226 12.094 ( -10.060 12.575 1.676) 16.191 12.269 ( 14.458 -8.661 -9.443) 19.319 12.799 ( 3.827 0.038 -11.092) 11.734 12.961 ( -2.973 8.429 -11.361) 14.455 13.080 ( -5.980 -5.669 -14.618) 16.780 13.220 ( -9.922 -1.184 -6.296) 11.811 13.646 ( 5.046 -6.614 -6.767) 10.724 13.766 ( -16.642 0.996 0.994) 16.701 13.816 ( -5.609 -6.783 -1.987) 9.023 13.968 ( -7.559 3.049 -5.163) 9.649 14.253 ( 17.695 9.350 17.012) 26.267 14.806 ( -10.073 -9.620 3.148) 14.280 15.053 ( -14.842 -2.307 -17.234) 22.861 15.155 ( 17.536 15.710 -12.119) 26.480 15.359 ( -7.785 7.652 15.220) 18.730 16.187 ( 28.778 4.561 1.628) 29.183 16.389 ( 34.187 4.703 19.324) 39.551 16.650 ( 2.882 -2.946 -1.759) 4.481 16.901 ( 5.597 7.381 -2.011) 9.479 17.669 ( 1.441 -0.587 14.513) 14.596 17.727 ( 4.849 -7.202 20.895) 22.628 18.043 ( -22.350 -7.447 -5.323) 24.152 18.617 ( 5.737 -20.924 3.545) 21.984 18.656 ( -26.035 1.623 10.185) 28.003 18.927 ( -8.648 -21.530 -1.708) 23.264 19.180 ( -22.364 -3.084 9.172) 24.368 21.380 ( 18.890 6.462 -2.834) 20.165 21.608 ( 1.786 10.239 -7.556) 12.849 21.728 ( -2.217 5.857 -12.692) 14.153 22.134 ( -5.094 1.262 -4.264) 6.762 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 17.109 -0.660 -2.242) 17.268 2.717 ( 1.655 -4.939 4.939) 7.178 2.967 ( 2.919 5.491 -1.279) 6.349 3.044 ( -0.973 1.107 -0.672) 1.619 3.311 ( 1.485 2.983 -3.283) 4.678 3.427 ( -6.860 3.502 -1.764) 7.902 3.693 ( 1.649 -8.745 -2.987) 9.387 3.736 ( -1.657 -11.942 1.588) 12.160 4.052 ( 1.035 -4.192 0.468) 4.343 4.123 ( -5.108 -2.154 -3.007) 6.307 4.220 ( -0.276 -0.732 1.253) 1.477 4.246 ( -3.080 0.144 1.102) 3.274 7.046 ( 16.803 -1.977 4.964) 17.632 7.261 ( 1.309 -2.795 7.640) 8.240 7.436 ( 12.111 7.317 7.216) 15.883 7.591 ( 1.043 6.673 7.539) 10.121 7.819 ( 14.330 -3.716 10.365) 18.072 7.935 ( 10.650 1.337 16.937) 20.052 8.136 ( -12.809 -4.539 -0.334) 13.593 8.231 ( -18.057 -6.106 6.089) 20.010 8.918 ( 13.579 7.722 -2.587) 15.834 9.217 ( -14.996 15.539 -11.825) 24.621 10.041 ( 2.841 -0.530 8.245) 8.736 10.167 ( -8.566 -0.681 4.205) 9.567 10.744 ( 35.688 3.252 -5.070) 36.193 10.845 ( 8.716 -0.132 -1.872) 8.915 10.983 ( 6.866 -6.331 2.387) 9.639 11.379 ( 5.836 11.878 5.075) 14.174 11.493 ( -22.687 0.111 -5.916) 23.446 11.661 ( -19.055 8.247 6.573) 21.779 12.173 ( 24.601 -2.402 -2.032) 24.801 12.604 ( 14.324 -14.859 -15.732) 25.951 12.714 ( -20.719 -6.604 -6.617) 22.731 12.818 ( -4.753 -7.130 -17.233) 19.246 12.992 ( -0.481 9.666 -6.260) 11.526 13.133 ( 0.434 4.045 -8.056) 9.025 13.284 ( -12.397 8.128 -1.213) 14.874 13.467 ( -14.940 3.371 -0.939) 15.345 13.956 ( 18.804 -4.003 -12.611) 22.992 14.209 ( 6.633 -2.760 -8.145) 10.861 14.462 ( -4.142 -6.233 -0.934) 7.542 14.609 ( -6.471 -7.577 8.433) 13.054 14.845 ( 4.800 8.199 11.647) 15.030 15.120 ( -14.046 10.693 20.889) 27.349 15.608 ( 24.063 13.669 -15.924) 31.929 16.146 ( -26.812 9.772 -17.177) 33.308 16.800 ( 28.808 -0.374 -2.414) 28.912 17.180 ( 35.082 1.023 19.484) 40.142 17.343 ( -10.174 0.094 1.344) 10.263 17.662 ( 14.156 -7.641 6.883) 17.497 17.769 ( -0.495 -5.106 18.498) 19.197 17.827 ( 9.232 -4.540 14.715) 17.954 18.018 ( -31.033 4.231 16.481) 35.391 18.456 ( -32.610 -7.911 8.218) 34.548 18.755 ( 6.389 -20.290 2.250) 21.390 18.894 ( -7.129 -17.333 2.963) 18.975 21.648 ( 1.988 8.876 -10.942) 14.228 21.686 ( -1.208 7.174 -12.593) 14.544 21.736 ( 13.860 4.211 -6.097) 15.716 21.985 ( -9.370 2.293 -5.881) 11.298 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.000 32.274 5.141) 32.681 1.660 ( 0.000 27.547 11.804) 29.969 2.581 ( 0.000 -5.344 6.244) 8.218 2.872 ( 0.000 42.103 23.679) 48.305 2.950 ( 0.000 -8.233 -2.319) 8.554 3.327 ( 0.000 8.691 -4.018) 9.575 3.901 ( 0.000 4.252 -0.987) 4.365 4.016 ( 0.000 -2.195 -5.174) 5.620 4.190 ( 0.000 -8.323 -2.460) 8.679 4.319 ( 0.000 -4.717 -0.058) 4.717 4.376 ( 0.000 -0.464 -4.205) 4.230 4.846 ( 0.000 -8.208 -7.725) 11.271 5.811 ( 0.000 3.564 14.535) 14.965 6.455 ( 0.000 14.119 3.010) 14.436 6.530 ( 0.000 -6.865 7.619) 10.256 6.729 ( 0.000 5.853 10.692) 12.189 6.886 ( 0.000 28.541 5.455) 29.058 7.335 ( 0.000 -14.034 4.087) 14.617 7.481 ( 0.000 -9.796 24.985) 26.836 7.912 ( 0.000 7.402 -10.043) 12.476 8.880 ( 0.000 -29.904 -3.978) 30.168 9.202 ( 0.000 -19.588 -11.280) 22.604 9.619 ( 0.000 9.652 -9.920) 13.840 9.951 ( 0.000 -14.605 -4.889) 15.402 10.421 ( 0.000 10.981 -9.593) 14.582 10.628 ( 0.000 12.756 2.225) 12.949 10.848 ( 0.000 14.289 -9.468) 17.141 11.235 ( 0.000 -4.975 7.541) 9.034 11.681 ( 0.000 -0.976 3.658) 3.786 11.698 ( 0.000 5.884 7.745) 9.726 12.222 ( 0.000 -0.284 4.505) 4.514 12.645 ( 0.000 8.824 7.446) 11.546 12.665 ( 0.000 -0.331 1.741) 1.772 12.913 ( 0.000 -0.356 -6.309) 6.319 12.989 ( 0.000 11.197 1.015) 11.243 13.258 ( 0.000 9.358 17.711) 20.032 13.286 ( 0.000 -5.398 -1.847) 5.705 13.639 ( 0.000 -20.188 -12.268) 23.624 13.673 ( 0.000 -18.849 4.822) 19.455 14.050 ( 0.000 -13.656 -3.187) 14.023 14.746 ( 0.000 3.915 18.017) 18.438 14.832 ( 0.000 2.776 6.650) 7.206 15.061 ( 0.000 3.129 -2.985) 4.325 15.308 ( 0.000 11.993 -8.393) 14.638 15.508 ( 0.000 30.627 2.415) 30.722 15.509 ( 0.000 -5.672 -32.272) 32.767 15.856 ( 0.000 6.377 -0.311) 6.385 16.056 ( 0.000 4.139 13.473) 14.094 16.845 ( 0.000 -13.145 25.204) 28.425 17.769 ( 0.000 -35.344 2.248) 35.415 17.832 ( 0.000 -3.038 13.476) 13.814 18.288 ( 0.000 -14.952 -10.031) 18.005 18.822 ( 0.000 2.523 -8.985) 9.333 18.974 ( 0.000 -1.496 -10.359) 10.466 19.219 ( 0.000 5.208 -21.983) 22.591 19.558 ( 0.000 -3.176 -23.712) 23.924 20.862 ( 0.000 20.093 23.365) 30.816 21.815 ( 0.000 13.609 1.999) 13.755 21.911 ( 0.000 -13.339 10.079) 16.719 22.242 ( 0.000 -1.137 1.013) 1.523 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 10.824 25.326 10.228) 29.380 1.794 ( 11.019 26.495 7.924) 29.769 2.646 ( 5.583 -3.293 6.544) 9.211 2.951 ( 0.023 -6.618 -1.072) 6.704 3.023 ( 13.176 28.908 15.781) 35.472 3.338 ( 1.259 6.402 -4.416) 7.879 3.840 ( -5.318 3.057 -2.715) 6.708 3.999 ( -2.506 -2.409 -3.731) 5.099 4.112 ( -5.677 -6.907 -0.406) 8.950 4.317 ( -0.858 -3.587 -1.369) 3.934 4.364 ( -1.335 -0.443 -3.934) 4.178 4.767 ( -7.187 -7.972 -6.687) 12.646 6.040 ( 19.875 5.008 11.620) 23.561 6.449 ( 5.568 9.194 4.302) 11.577 6.785 ( 6.416 11.933 10.291) 17.013 6.833 ( 18.731 -2.167 6.981) 20.106 6.978 ( 8.513 24.722 4.759) 26.576 7.458 ( 4.577 -10.434 15.514) 19.248 7.589 ( 15.488 -14.671 8.582) 22.995 7.979 ( 8.123 4.116 0.079) 9.107 8.834 ( -4.775 -28.588 -3.750) 29.226 9.114 ( -5.091 -15.036 -9.343) 18.420 9.741 ( 9.555 5.785 -5.736) 12.557 10.041 ( 7.485 -10.753 -5.270) 14.122 10.465 ( 3.351 7.410 -10.495) 13.277 10.692 ( 6.138 10.236 2.622) 12.220 10.747 ( -9.691 18.866 -5.339) 21.871 11.186 ( -4.976 -5.477 7.882) 10.811 11.460 ( -7.634 -1.449 -1.054) 7.841 11.779 ( -0.358 -3.915 9.432) 10.218 12.349 ( 10.204 6.832 -0.139) 12.281 12.549 ( -7.921 14.018 -1.590) 16.180 12.739 ( 0.811 2.192 -2.978) 3.785 12.904 ( 7.283 -2.983 0.844) 7.916 13.016 ( 0.923 7.955 -0.184) 8.010 13.253 ( -5.959 -11.172 -9.196) 15.649 13.470 ( 15.368 4.049 19.935) 25.495 13.513 ( 1.065 -3.718 -3.075) 4.941 13.811 ( 0.753 -16.810 0.431) 16.832 14.029 ( 0.069 -16.679 2.247) 16.830 14.792 ( -5.659 8.164 -9.525) 13.762 14.939 ( 12.372 5.303 9.547) 16.503 15.113 ( 9.207 0.904 10.928) 14.318 15.294 ( -12.665 2.641 -12.984) 18.330 15.330 ( -1.298 -0.476 -16.832) 16.889 15.599 ( 4.877 17.353 -1.525) 18.089 15.735 ( -6.474 6.575 -5.665) 10.827 16.104 ( 6.847 14.724 21.187) 26.694 17.053 ( 14.760 -13.265 22.347) 29.887 17.737 ( -6.545 -6.636 7.721) 12.103 17.811 ( 1.488 -25.547 5.168) 26.106 18.097 ( -15.258 -7.761 -10.344) 20.001 18.615 ( -14.844 -4.422 -8.822) 17.825 18.834 ( -10.246 -9.254 -10.587) 17.399 19.281 ( 1.193 5.184 -12.195) 13.305 19.621 ( 0.982 -4.686 -12.764) 13.632 20.951 ( 8.632 18.725 16.310) 26.289 21.812 ( -0.371 11.633 0.737) 11.662 21.873 ( -2.495 -7.035 4.042) 8.489 22.237 ( -0.563 -1.018 0.137) 1.171 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 12.323 17.150 10.465) 23.568 2.108 ( 17.986 17.569 7.130) 26.134 2.798 ( 8.690 0.219 4.136) 9.627 2.948 ( -0.063 -4.204 0.982) 4.318 3.276 ( 6.335 0.849 -2.956) 7.042 3.406 ( 5.798 3.363 0.271) 6.708 3.696 ( -7.698 0.066 -4.357) 8.846 3.899 ( -6.511 -0.700 -0.856) 6.604 4.007 ( -3.895 -3.907 2.929) 6.246 4.276 ( -2.950 -3.360 0.113) 4.473 4.317 ( -3.021 0.879 -5.480) 6.319 4.574 ( -10.375 -5.032 -4.661) 12.437 6.488 ( 18.135 9.016 0.564) 20.260 6.708 ( 19.560 7.549 14.130) 25.282 6.955 ( 10.441 10.194 9.659) 17.499 7.164 ( 12.857 17.229 3.930) 21.854 7.291 ( 18.459 4.465 10.480) 21.691 7.553 ( 6.102 -8.151 17.185) 19.975 7.943 ( 13.759 -13.744 3.313) 19.728 8.305 ( 19.741 -2.598 4.050) 20.319 8.664 ( -11.173 -23.990 -3.186) 26.655 9.164 ( 14.638 -7.264 -3.625) 16.738 9.927 ( 6.455 2.333 0.239) 6.868 10.252 ( 12.558 -7.102 -2.655) 14.670 10.438 ( -15.665 23.687 -8.726) 29.709 10.550 ( 2.087 4.423 -8.829) 10.093 10.801 ( -1.507 4.712 4.802) 6.894 11.108 ( 3.906 -0.442 8.146) 9.045 11.454 ( 5.691 -8.129 -6.261) 11.733 11.773 ( 1.110 -8.995 4.133) 9.961 12.341 ( -9.917 14.785 -1.516) 17.867 12.548 ( 5.304 16.143 -1.177) 17.033 12.722 ( -1.750 0.309 -5.169) 5.466 13.015 ( -4.471 -10.173 -13.329) 17.353 13.083 ( 0.240 -3.550 -11.139) 11.694 13.165 ( 11.304 2.246 1.543) 11.628 13.592 ( 2.862 0.455 -2.041) 3.544 13.684 ( -7.317 -3.432 -0.383) 8.091 13.847 ( 11.690 -1.236 17.579) 21.147 13.999 ( -0.897 -10.188 12.127) 15.864 14.571 ( -17.113 1.815 -6.450) 18.378 14.851 ( -13.036 -0.335 -11.500) 17.386 15.240 ( 3.886 7.973 -5.887) 10.645 15.254 ( -1.085 -3.195 -16.916) 17.249 15.370 ( 5.121 4.975 -10.232) 12.476 15.824 ( 25.796 -0.466 9.084) 27.353 15.922 ( 19.585 18.802 17.703) 32.411 16.292 ( 11.301 16.743 20.371) 28.689 17.326 ( 8.052 -11.634 17.105) 22.198 17.486 ( -15.639 2.882 -0.575) 15.913 17.775 ( -6.997 3.996 1.321) 8.165 17.928 ( 4.118 -33.972 3.256) 34.375 18.268 ( -18.200 -12.129 -5.369) 22.520 18.626 ( -9.282 -19.398 -9.074) 23.341 19.156 ( -13.477 4.577 2.384) 14.431 19.495 ( -13.223 -5.522 1.533) 14.411 21.210 ( 15.040 14.381 3.539) 21.108 21.801 ( -0.254 4.721 -5.084) 6.943 21.843 ( -0.358 6.011 -3.284) 6.859 22.214 ( -1.773 -0.587 -2.052) 2.775 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 13.447 10.903 5.539) 18.176 2.474 ( 15.136 6.238 7.861) 18.161 2.941 ( 2.294 -6.115 -0.458) 6.547 3.017 ( 8.620 5.755 1.459) 10.466 3.297 ( -2.517 -7.502 -7.213) 10.707 3.472 ( -0.297 -9.421 -6.434) 11.412 3.567 ( -4.181 0.992 1.360) 4.507 3.739 ( -8.425 -1.328 1.003) 8.588 3.952 ( -1.291 -2.955 5.018) 5.965 4.202 ( -3.924 -3.051 1.046) 5.079 4.242 ( -4.067 0.514 -5.636) 6.969 4.364 ( -8.917 -2.087 -3.623) 9.848 6.795 ( 13.354 9.029 2.149) 16.263 7.143 ( 16.428 8.069 12.734) 22.297 7.201 ( 12.659 1.902 11.549) 17.240 7.460 ( 15.307 8.177 6.556) 18.551 7.588 ( 8.522 1.316 14.774) 17.106 7.735 ( 10.948 -2.273 14.880) 18.613 8.103 ( 1.077 -12.229 1.292) 12.344 8.380 ( -14.230 -15.543 -0.763) 21.087 8.714 ( 20.393 7.937 2.280) 22.002 9.737 ( 31.217 -9.311 -3.905) 32.809 9.972 ( -6.844 14.608 -5.978) 17.204 10.127 ( -3.714 17.706 -6.024) 19.068 10.502 ( -3.795 0.540 0.726) 3.901 10.547 ( 8.651 -7.230 1.652) 11.395 10.775 ( 5.756 4.578 -0.636) 7.382 11.339 ( 12.993 0.252 -1.003) 13.034 11.582 ( 3.741 -7.242 -0.740) 8.184 11.844 ( 5.435 -8.013 -4.919) 10.860 12.164 ( -7.507 5.042 -6.502) 11.137 12.435 ( -10.837 16.885 8.111) 21.641 12.757 ( 1.722 -0.687 -8.965) 9.154 12.850 ( -6.971 -10.535 -11.366) 16.993 13.196 ( -2.858 4.448 -8.743) 10.218 13.259 ( -2.307 3.890 -2.385) 5.113 13.498 ( 4.456 -5.762 -3.652) 8.148 13.663 ( -11.434 -8.869 4.982) 15.304 13.785 ( -0.391 1.008 1.003) 1.475 14.068 ( -6.203 6.752 -3.157) 9.697 14.365 ( 10.975 2.041 11.938) 16.344 14.716 ( -7.734 -0.817 -10.594) 13.142 15.028 ( -11.440 0.443 -16.223) 19.856 15.248 ( -0.019 -7.613 4.443) 8.815 15.658 ( 14.411 25.077 -11.771) 31.227 16.371 ( 23.171 12.231 11.567) 28.641 16.503 ( 31.470 6.171 16.743) 36.177 16.634 ( 18.248 3.307 11.152) 21.640 17.063 ( -10.517 9.774 -7.060) 16.000 17.526 ( 5.133 -12.774 19.984) 24.267 17.677 ( -3.865 1.322 8.121) 9.091 17.856 ( -18.655 -11.647 -1.526) 22.045 18.071 ( 7.629 -32.877 3.693) 33.952 18.435 ( -9.474 -26.757 -7.320) 29.314 18.737 ( -25.582 5.020 11.666) 28.561 19.092 ( -24.044 -5.697 10.284) 26.764 21.537 ( 15.229 9.248 -4.092) 18.281 21.810 ( 0.931 5.133 -10.103) 11.370 21.843 ( 0.091 9.402 -7.009) 11.728 22.155 ( -4.123 0.378 -4.566) 6.164 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 11.392 4.199 3.047) 12.517 2.660 ( 0.672 -0.493 5.504) 5.567 3.003 ( 4.229 -3.275 -3.732) 6.522 3.093 ( -3.007 3.182 -7.170) 8.401 3.335 ( 8.218 -3.786 -0.862) 9.090 3.452 ( -0.262 -6.587 -1.705) 6.809 3.482 ( -4.089 -4.565 5.352) 8.136 3.555 ( -8.881 -4.156 0.904) 9.847 3.975 ( 3.861 -2.238 0.813) 4.536 4.093 ( -6.461 -0.859 -3.008) 7.179 4.180 ( -0.598 -3.446 -0.032) 3.497 4.223 ( -4.425 -2.389 -2.961) 5.836 7.075 ( 12.561 4.920 6.085) 14.799 7.254 ( -2.712 2.483 10.114) 10.762 7.496 ( 11.040 -1.522 12.554) 16.787 7.638 ( -2.131 -4.969 15.070) 16.011 7.791 ( 13.730 3.688 4.930) 15.047 7.942 ( 7.941 -0.977 14.067) 16.183 8.033 ( -7.409 -5.469 1.818) 9.386 8.110 ( -9.800 -6.020 9.232) 14.748 9.174 ( 22.194 19.059 -5.425) 29.753 9.615 ( -19.519 24.329 -12.007) 33.422 10.049 ( 5.768 1.044 0.126) 5.863 10.203 ( -7.752 4.273 -2.300) 9.146 10.721 ( 27.077 -5.754 -8.120) 28.848 10.773 ( 9.019 -6.397 -0.998) 11.102 10.922 ( 8.803 -1.605 0.764) 8.980 11.412 ( -17.804 -9.973 -10.933) 23.152 11.601 ( 7.654 9.890 2.264) 12.709 11.867 ( -15.206 12.458 7.468) 21.028 12.086 ( 16.745 -8.597 -3.806) 19.204 12.418 ( 3.672 -1.490 -3.576) 5.338 12.580 ( -14.683 -5.851 -2.947) 16.079 12.695 ( -8.721 -2.249 -9.914) 13.394 13.093 ( 4.632 -2.101 -3.268) 6.046 13.303 ( -11.265 -10.113 5.286) 16.035 13.358 ( 0.491 16.659 -4.259) 17.202 13.471 ( -7.453 4.155 1.261) 8.625 13.941 ( 17.432 0.342 -10.692) 20.452 14.234 ( 12.182 -2.966 -5.299) 13.611 14.337 ( -14.210 1.996 -16.487) 21.857 14.525 ( -10.634 1.367 -6.570) 12.574 14.984 ( 8.410 3.713 13.106) 16.009 15.181 ( -7.232 -5.029 14.663) 17.105 16.000 ( 18.644 26.135 -13.196) 34.710 16.421 ( -20.188 18.664 -12.976) 30.402 16.847 ( 21.722 6.182 4.186) 22.969 17.197 ( 21.249 0.449 16.465) 26.885 17.347 ( -8.239 -0.126 2.490) 8.608 17.459 ( 18.527 -13.167 5.113) 23.297 17.649 ( 9.130 -6.938 18.449) 21.722 17.725 ( 5.161 -5.895 11.473) 13.893 18.102 ( -28.196 2.704 14.945) 32.026 18.156 ( -18.406 -24.148 -2.934) 30.505 18.282 ( 6.030 -24.621 7.060) 26.313 18.574 ( -21.367 -12.764 13.057) 28.106 21.816 ( 7.211 6.198 -8.720) 12.902 21.840 ( 4.706 7.170 -8.784) 12.276 21.842 ( 0.542 8.036 -9.995) 12.837 22.032 ( -7.670 2.171 -6.401) 10.224 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.000 18.583 6.394) 19.652 2.177 ( 0.000 23.395 -2.820) 23.564 2.446 ( 0.000 -6.708 6.937) 9.650 2.681 ( 0.000 -18.664 -3.084) 18.917 3.527 ( 0.000 22.504 1.484) 22.553 3.552 ( 0.000 12.239 -3.318) 12.681 3.901 ( 0.000 -6.162 2.153) 6.528 3.938 ( 0.000 -6.468 -3.547) 7.376 4.102 ( 0.000 3.306 0.612) 3.362 4.214 ( 0.000 -6.148 0.320) 6.156 4.428 ( 0.000 6.554 -4.290) 7.833 4.631 ( 0.000 -13.004 -4.423) 13.736 5.981 ( 0.000 13.592 14.838) 20.123 6.284 ( 0.000 -16.336 11.743) 20.119 6.719 ( 0.000 12.643 0.335) 12.647 6.851 ( 0.000 2.653 6.538) 7.056 7.126 ( 0.000 -4.554 12.515) 13.318 7.227 ( 0.000 -8.839 22.346) 24.030 7.549 ( 0.000 32.895 3.538) 33.085 8.190 ( 0.000 16.084 -8.014) 17.970 8.240 ( 0.000 -30.713 -0.146) 30.713 8.697 ( 0.000 -29.256 -7.911) 30.307 9.747 ( 0.000 3.793 -11.545) 12.152 9.801 ( 0.000 -3.272 -7.921) 8.570 10.686 ( 0.000 14.543 -13.828) 20.067 10.830 ( 0.000 4.327 -5.406) 6.924 11.010 ( 0.000 3.191 -7.753) 8.384 11.123 ( 0.000 -6.824 7.518) 10.153 11.711 ( 0.000 3.182 13.113) 13.493 11.751 ( 0.000 -0.256 9.437) 9.441 12.362 ( 0.000 16.618 -0.656) 16.631 12.648 ( 0.000 -3.779 0.305) 3.791 12.722 ( 0.000 1.733 7.208) 7.414 12.863 ( 0.000 -14.238 -0.323) 14.241 13.072 ( 0.000 0.209 -6.929) 6.932 13.245 ( 0.000 4.066 2.306) 4.674 13.296 ( 0.000 -6.871 -6.858) 9.708 13.450 ( 0.000 -7.626 13.113) 15.169 13.461 ( 0.000 12.512 11.122) 16.741 13.753 ( 0.000 -16.527 2.007) 16.649 14.812 ( 0.000 3.022 20.106) 20.331 14.854 ( 0.000 -0.924 17.038) 17.063 15.167 ( 0.000 7.725 -22.542) 23.829 15.325 ( 0.000 -7.823 -30.356) 31.348 15.576 ( 0.000 10.157 -10.142) 14.354 15.741 ( 0.000 -5.801 -9.552) 11.176 16.221 ( 0.000 25.746 9.253) 27.359 16.307 ( 0.000 26.689 17.191) 31.746 16.560 ( 0.000 -16.085 23.367) 28.368 17.030 ( 0.000 -40.204 4.603) 40.467 17.870 ( 0.000 5.917 4.085) 7.190 18.036 ( 0.000 -11.131 -2.841) 11.488 18.876 ( 0.000 2.981 -9.031) 9.510 18.932 ( 0.000 -2.714 -9.308) 9.696 19.335 ( 0.000 6.594 -23.542) 24.448 19.461 ( 0.000 -6.255 -23.619) 24.433 21.254 ( 0.000 20.155 17.413) 26.635 21.616 ( 0.000 -17.326 13.170) 21.763 22.045 ( 0.000 9.920 1.512) 10.034 22.187 ( 0.000 -4.949 1.178) 5.087 ======================= Grid point 91 (37/100) ======================= q-point: ( 0.11 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 6.120 19.867 6.147) 21.678 2.271 ( 8.171 22.058 -0.697) 23.533 2.505 ( 5.514 -9.385 5.519) 12.204 2.704 ( 2.304 -17.625 -2.712) 17.980 3.460 ( -5.197 13.334 -3.416) 14.713 3.532 ( -2.877 9.494 -2.224) 10.167 3.826 ( -5.268 -1.786 1.894) 5.876 3.919 ( -2.806 -7.029 -0.477) 7.583 4.086 ( -1.350 5.176 0.988) 5.440 4.213 ( -0.646 -6.697 0.703) 6.765 4.417 ( -1.164 6.051 -4.626) 7.705 4.583 ( -4.103 -10.338 -4.004) 11.821 6.218 ( 20.370 12.726 13.232) 27.423 6.460 ( 14.526 -9.579 10.408) 20.275 6.854 ( 10.877 8.151 4.089) 14.193 6.969 ( 11.297 2.553 5.699) 12.908 7.232 ( 7.552 -2.874 15.467) 17.451 7.343 ( 12.569 -10.181 14.685) 21.847 7.590 ( 3.511 30.669 2.778) 30.994 8.201 ( 1.760 0.589 -3.632) 4.079 8.240 ( 1.052 -14.359 0.644) 14.412 8.683 ( 0.776 -26.652 -4.290) 27.006 9.836 ( 7.510 3.704 -9.993) 13.038 9.900 ( 8.372 -4.062 -7.864) 12.183 10.680 ( -0.466 13.078 -11.519) 17.434 10.841 ( 0.250 0.877 -6.517) 6.581 11.010 ( 0.642 5.416 -4.854) 7.301 11.088 ( -2.795 -3.755 6.167) 7.743 11.508 ( -13.008 8.097 8.960) 17.750 11.673 ( -6.721 -7.072 11.038) 14.732 12.493 ( 7.692 8.816 -3.898) 12.333 12.690 ( 2.910 -6.799 -5.646) 9.304 12.791 ( 0.913 6.306 -0.976) 6.446 12.867 ( 1.087 -1.238 -4.839) 5.111 13.018 ( -0.304 0.241 -7.078) 7.089 13.219 ( 0.075 0.417 0.067) 0.429 13.368 ( 3.691 -3.581 0.676) 5.187 13.534 ( 9.268 -3.698 14.918) 17.948 13.611 ( 9.829 0.327 15.744) 18.563 13.732 ( -0.133 -12.282 7.583) 14.435 14.949 ( -1.589 7.350 -8.545) 11.382 15.010 ( 13.196 1.575 9.767) 16.493 15.114 ( 5.810 0.183 8.079) 9.953 15.185 ( -13.347 -6.807 -16.160) 22.037 15.448 ( -5.990 7.152 -15.074) 17.727 15.579 ( -9.212 -6.259 -14.820) 18.538 16.294 ( 4.952 36.310 4.837) 36.964 16.424 ( 10.344 17.823 21.637) 29.880 16.764 ( 14.351 -16.069 21.047) 30.119 17.070 ( 3.900 -39.470 4.450) 39.911 17.818 ( -5.316 5.434 4.446) 8.806 17.951 ( -7.508 -7.879 -2.729) 11.221 18.607 ( -20.277 2.649 -13.014) 24.239 18.692 ( -17.732 -5.923 -13.163) 22.864 19.391 ( 0.472 6.220 -11.873) 13.412 19.513 ( 0.268 -6.269 -12.064) 13.598 21.314 ( 5.701 18.396 11.402) 22.382 21.636 ( 2.056 -14.802 7.416) 16.683 22.045 ( -0.013 9.742 0.424) 9.751 22.184 ( -0.310 -4.807 0.216) 4.822 ======================= Grid point 92 (38/100) ======================= q-point: ( 0.22 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 7.877 18.777 5.609) 21.121 2.471 ( 9.706 18.589 2.853) 21.163 2.653 ( 7.763 -13.433 2.128) 15.660 2.782 ( 5.184 -13.151 0.977) 14.170 3.342 ( -5.334 5.167 -7.555) 10.593 3.427 ( -6.159 -2.365 -7.192) 9.760 3.716 ( -5.286 3.377 4.013) 7.446 3.817 ( -6.567 -6.302 2.477) 9.433 4.048 ( -2.303 6.195 2.037) 6.916 4.177 ( -2.679 -6.489 1.310) 7.141 4.372 ( -3.344 4.500 -5.308) 7.721 4.471 ( -6.500 -5.487 -4.047) 9.420 6.693 ( 20.644 10.688 8.055) 24.603 6.805 ( 17.856 0.720 11.632) 21.323 7.093 ( 11.260 5.602 11.898) 17.313 7.248 ( 11.604 -8.517 10.533) 17.836 7.434 ( 12.666 8.988 11.616) 19.394 7.652 ( 10.808 -3.772 3.526) 11.978 7.695 ( 8.440 13.289 3.771) 16.188 8.173 ( -3.491 -25.862 -0.461) 26.100 8.463 ( 20.011 16.408 3.992) 26.184 8.859 ( 18.662 -21.745 1.234) 28.681 10.002 ( 7.503 5.366 -6.792) 11.455 10.114 ( 11.368 -6.159 -4.743) 13.772 10.669 ( -1.232 8.197 -9.174) 12.364 10.775 ( -7.306 0.494 -4.212) 8.448 10.966 ( -6.531 15.127 -4.310) 17.031 11.111 ( 6.535 -0.937 -0.911) 6.664 11.353 ( 0.840 1.824 5.099) 5.480 11.564 ( -2.070 -13.582 7.265) 15.542 12.506 ( -7.430 4.897 -10.581) 13.825 12.664 ( -4.319 -10.660 -8.864) 14.521 12.797 ( 2.227 10.180 -4.001) 11.162 12.901 ( 1.995 2.786 -8.789) 9.433 13.156 ( 7.285 7.015 -4.003) 10.876 13.243 ( 3.513 7.763 1.279) 8.617 13.408 ( -0.964 -10.235 1.510) 10.390 13.594 ( -4.144 -18.846 9.282) 21.412 13.807 ( 7.836 7.862 11.270) 15.818 13.915 ( 14.361 -3.153 18.137) 23.348 14.656 ( -16.834 6.135 -6.535) 19.071 14.781 ( -15.623 -6.158 -7.464) 18.377 15.220 ( -3.120 0.245 -16.377) 16.673 15.242 ( -6.169 -1.673 -19.198) 20.234 15.579 ( 23.413 10.231 3.382) 25.774 15.739 ( 27.044 -6.643 7.644) 28.878 16.444 ( 9.989 32.647 9.278) 35.379 16.642 ( 9.492 17.309 20.036) 28.127 17.045 ( 11.604 -15.878 20.517) 28.420 17.203 ( 8.917 -36.081 5.344) 37.548 17.614 ( -13.948 8.106 1.172) 16.175 17.782 ( -7.674 -6.835 1.573) 10.396 18.150 ( -21.682 2.860 -11.216) 24.578 18.318 ( -16.924 -12.809 -13.174) 24.982 19.259 ( -13.379 6.004 2.204) 14.829 19.379 ( -13.301 -6.362 1.876) 14.863 21.484 ( 10.029 13.562 0.625) 16.878 21.707 ( 4.559 -9.111 -2.542) 10.500 22.043 ( -0.321 9.152 -2.346) 9.453 22.171 ( -1.096 -4.274 -2.205) 4.933 ======================= Grid point 93 (39/100) ======================= q-point: ( 0.33 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 8.771 15.139 4.057) 17.961 2.639 ( 5.974 9.774 4.095) 12.165 2.787 ( 4.172 -9.122 2.340) 10.301 2.925 ( 7.640 -14.714 4.106) 17.080 3.245 ( -3.373 4.317 -8.785) 10.353 3.345 ( -0.636 -5.250 -9.665) 11.017 3.592 ( -6.350 2.218 4.242) 7.952 3.664 ( -7.598 -5.028 3.610) 9.800 3.994 ( -2.293 5.686 2.016) 6.454 4.112 ( -2.982 -5.906 1.125) 6.711 4.269 ( -6.499 2.114 -5.069) 8.509 4.317 ( -7.841 -2.680 -4.624) 9.489 7.007 ( 11.363 11.873 6.364) 17.623 7.174 ( 14.580 -3.895 12.577) 19.645 7.299 ( 7.188 6.051 14.804) 17.534 7.424 ( 6.088 -7.429 15.887) 18.565 7.715 ( 11.785 6.704 9.885) 16.779 7.792 ( 5.996 8.616 2.604) 10.815 7.881 ( 6.420 -7.682 6.363) 11.862 8.079 ( -4.885 -15.535 2.764) 16.518 9.005 ( 29.181 20.622 -0.491) 35.736 9.425 ( 30.651 -21.209 -2.837) 37.382 10.166 ( 8.649 9.725 -5.426) 14.101 10.352 ( 9.397 -8.571 -3.046) 13.078 10.542 ( -9.975 11.597 -5.307) 16.191 10.580 ( -8.631 4.301 0.293) 9.648 10.900 ( 0.760 13.149 -8.124) 15.475 11.242 ( 2.581 -14.837 -10.523) 18.372 11.479 ( 9.291 1.516 1.545) 9.539 11.623 ( 8.183 -11.994 -2.221) 14.689 12.324 ( -8.025 11.435 -4.699) 14.738 12.578 ( -3.557 -13.590 -1.591) 14.137 12.751 ( -7.831 14.393 7.068) 17.845 12.886 ( -5.002 5.693 -3.517) 8.354 13.173 ( -7.152 -5.797 -1.161) 9.279 13.224 ( -10.923 -3.719 -3.565) 12.077 13.445 ( 7.939 -0.809 -7.328) 10.835 13.508 ( 2.625 -6.143 -0.146) 6.682 13.910 ( 0.685 11.245 3.267) 11.730 14.104 ( 1.352 -6.115 3.827) 7.339 14.445 ( 1.316 9.694 1.767) 9.941 14.654 ( 0.869 -8.404 -3.437) 9.121 15.056 ( -8.240 1.708 -14.285) 16.580 15.101 ( -7.125 -4.522 -10.352) 13.356 16.128 ( 24.571 20.871 -6.728) 32.934 16.406 ( 32.903 -8.250 3.209) 34.073 16.743 ( 18.490 19.095 18.432) 32.346 16.828 ( 9.442 12.502 16.744) 22.931 17.260 ( 8.756 -10.039 17.635) 22.100 17.292 ( -14.031 9.894 -1.738) 17.256 17.436 ( 12.636 -27.680 9.748) 31.951 17.602 ( -10.646 -15.079 5.088) 19.146 17.755 ( -13.871 6.766 -4.341) 16.033 17.985 ( -14.865 -18.179 -11.529) 26.160 18.847 ( -25.091 6.317 11.212) 28.199 18.972 ( -24.670 -6.582 10.788) 27.718 21.706 ( 10.469 7.751 -5.921) 14.308 21.814 ( 5.304 -3.096 -8.215) 10.257 22.028 ( -1.171 7.877 -5.625) 9.750 22.132 ( -2.743 -3.069 -5.032) 6.502 ======================= Grid point 94 (40/100) ======================= q-point: ( 0.44 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 5.464 10.405 3.158) 12.169 2.716 ( 1.061 6.949 4.121) 8.148 2.865 ( 4.342 -9.310 0.269) 10.276 2.969 ( -4.076 -15.070 -1.076) 15.648 3.299 ( 8.291 4.358 -1.093) 9.431 3.373 ( 2.509 -2.444 -2.103) 4.086 3.468 ( -4.982 0.397 2.762) 5.710 3.501 ( -8.115 -2.945 1.279) 8.727 3.993 ( 2.923 3.699 -0.625) 4.756 4.080 ( -0.008 -3.601 -1.683) 3.975 4.116 ( -6.510 0.251 -2.767) 7.079 4.165 ( -6.091 -3.315 -4.126) 8.069 7.218 ( 8.760 9.356 9.244) 15.802 7.344 ( -2.066 6.199 12.485) 14.092 7.401 ( 6.787 -7.821 12.569) 16.285 7.490 ( -0.860 -8.266 14.493) 16.707 7.881 ( 5.096 4.486 7.067) 9.800 7.918 ( 4.634 -0.774 9.309) 10.427 7.953 ( 0.408 -2.148 6.576) 6.930 8.000 ( -2.582 -5.435 9.596) 11.326 9.602 ( 26.273 23.338 -7.456) 35.924 9.948 ( 15.393 -6.853 -7.453) 18.424 10.098 ( -15.289 14.585 -8.918) 22.935 10.272 ( -11.331 -0.340 -6.069) 12.859 10.639 ( 17.794 0.084 -3.866) 18.210 10.665 ( 12.536 -3.096 -4.415) 13.646 10.883 ( -3.460 0.668 -5.199) 6.281 11.105 ( -15.336 -19.074 -13.421) 27.913 11.758 ( 16.783 6.997 -0.435) 18.189 11.900 ( 17.929 -8.513 -3.786) 20.205 12.122 ( -14.215 13.043 6.324) 20.302 12.341 ( -20.182 -9.090 1.870) 22.213 12.663 ( 1.501 12.657 6.685) 14.392 12.740 ( -4.644 5.618 -1.287) 7.402 12.957 ( -5.100 -8.928 1.403) 10.377 13.025 ( -8.615 -15.530 8.611) 19.737 13.614 ( 6.950 9.428 -9.930) 15.355 13.664 ( 6.086 10.580 -11.370) 16.681 13.887 ( 1.542 -2.645 -8.099) 8.658 14.039 ( -7.490 -12.676 -9.446) 17.493 14.565 ( 7.075 16.181 -3.240) 17.955 14.676 ( -1.620 9.859 -4.203) 10.840 14.951 ( -1.778 -6.508 2.537) 7.208 14.971 ( -3.867 -13.821 3.111) 14.685 16.549 ( 16.414 29.418 -10.745) 35.360 16.828 ( -5.701 20.573 -6.273) 22.251 16.998 ( 10.036 1.065 10.169) 14.327 17.128 ( 8.583 -8.218 4.976) 12.883 17.230 ( 14.076 -5.137 1.144) 15.027 17.315 ( -3.959 -3.449 7.641) 9.271 17.489 ( 0.573 -8.343 12.625) 15.143 17.608 ( -4.664 -16.100 2.255) 16.913 17.702 ( 8.049 -6.323 6.466) 12.107 17.823 ( 18.035 -14.445 12.230) 26.144 18.245 ( -30.758 6.552 16.464) 35.497 18.386 ( -29.723 -8.106 16.202) 34.809 21.904 ( 7.793 2.954 -8.124) 11.639 21.918 ( 4.762 1.722 -9.300) 10.589 21.989 ( -2.631 5.562 -8.285) 10.320 22.049 ( -5.293 -0.847 -7.226) 8.997 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 0.000 31.338) 31.338 1.762 ( 0.000 0.000 35.961) 35.961 2.585 ( 0.000 0.000 29.450) 29.450 2.888 ( 0.000 0.000 23.254) 23.254 3.016 ( 0.000 0.000 4.320) 4.320 3.048 ( 0.000 0.000 -12.346) 12.346 3.763 ( 0.000 0.000 -1.342) 1.342 3.966 ( 0.000 0.000 -4.719) 4.719 4.258 ( 0.000 0.000 -10.757) 10.757 4.288 ( 0.000 0.000 -5.267) 5.267 4.420 ( 0.000 0.000 -0.009) 0.009 4.708 ( 0.000 0.000 -15.241) 15.241 6.226 ( 0.000 0.000 11.986) 11.986 6.277 ( 0.000 0.000 20.858) 20.858 6.417 ( 0.000 0.000 12.217) 12.217 6.497 ( 0.000 0.000 14.265) 14.265 6.882 ( 0.000 0.000 6.507) 6.507 7.769 ( 0.000 0.000 5.632) 5.632 8.065 ( 0.000 0.000 0.324) 0.324 8.413 ( 0.000 0.000 40.316) 40.316 8.950 ( 0.000 0.000 -16.476) 16.476 9.261 ( 0.000 0.000 -11.521) 11.521 9.492 ( 0.000 0.000 -11.703) 11.703 9.713 ( 0.000 0.000 -27.123) 27.123 10.190 ( 0.000 0.000 1.259) 1.259 10.507 ( 0.000 0.000 9.633) 9.633 10.757 ( 0.000 0.000 -6.135) 6.135 11.131 ( 0.000 0.000 -10.556) 10.556 11.597 ( 0.000 0.000 -16.822) 16.822 11.986 ( 0.000 0.000 21.535) 21.535 12.130 ( 0.000 0.000 11.921) 11.921 12.654 ( 0.000 0.000 -1.064) 1.064 12.691 ( 0.000 0.000 12.297) 12.297 12.879 ( 0.000 0.000 4.448) 4.448 12.908 ( 0.000 0.000 -3.179) 3.179 13.253 ( 0.000 0.000 16.305) 16.305 13.289 ( 0.000 0.000 20.340) 20.340 13.705 ( 0.000 0.000 -31.286) 31.286 14.167 ( 0.000 0.000 -12.808) 12.808 14.269 ( 0.000 0.000 -8.963) 8.963 14.281 ( 0.000 0.000 -3.908) 3.908 14.779 ( 0.000 0.000 13.121) 13.121 14.903 ( 0.000 0.000 -34.424) 34.424 15.077 ( 0.000 0.000 -1.771) 1.771 15.344 ( 0.000 0.000 23.979) 23.979 15.409 ( 0.000 0.000 15.110) 15.110 15.601 ( 0.000 0.000 5.496) 5.496 16.335 ( 0.000 0.000 21.003) 21.003 17.624 ( 0.000 0.000 21.281) 21.281 17.804 ( 0.000 0.000 -38.152) 38.152 18.483 ( 0.000 0.000 -17.899) 17.899 18.527 ( 0.000 0.000 -0.098) 0.098 18.729 ( 0.000 0.000 -12.657) 12.657 18.750 ( 0.000 0.000 3.207) 3.207 18.794 ( 0.000 0.000 -19.838) 19.838 19.264 ( 0.000 0.000 -3.457) 3.457 21.053 ( 0.000 0.000 28.949) 28.949 21.522 ( 0.000 0.000 5.252) 5.252 22.191 ( 0.000 0.000 -4.115) 4.115 22.259 ( 0.000 0.000 0.562) 0.562 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 8.699 0.000 27.205) 28.562 1.925 ( 14.515 0.000 30.349) 33.642 2.843 ( 10.581 0.000 0.272) 10.584 2.907 ( 12.669 0.000 39.872) 41.836 3.040 ( 2.152 0.000 4.343) 4.847 3.089 ( 4.250 0.000 -8.739) 9.718 3.663 ( -7.181 0.000 -3.354) 7.926 3.962 ( -2.053 0.000 -5.826) 6.177 4.221 ( -3.035 0.000 -8.559) 9.081 4.243 ( -4.143 0.000 -5.262) 6.697 4.414 ( -0.392 0.000 1.924) 1.964 4.651 ( -5.656 0.000 -14.738) 15.786 6.187 ( 0.845 0.000 10.436) 10.470 6.464 ( 5.914 0.000 14.771) 15.911 6.509 ( 19.472 0.000 19.437) 27.513 6.593 ( 8.786 0.000 11.430) 14.417 7.089 ( 17.214 0.000 8.370) 19.141 8.019 ( 21.694 0.000 6.636) 22.686 8.291 ( 14.914 0.000 1.769) 15.019 8.447 ( 4.475 0.000 37.162) 37.430 8.790 ( -9.551 0.000 -17.681) 20.095 9.407 ( 1.398 0.000 -11.465) 11.550 9.579 ( -12.770 0.000 -23.994) 27.181 9.636 ( 18.772 0.000 -9.615) 21.092 10.235 ( 5.690 0.000 3.345) 6.600 10.453 ( -2.509 0.000 7.097) 7.527 10.892 ( 11.011 0.000 -8.223) 13.742 11.227 ( 6.300 0.000 -10.630) 12.356 11.563 ( -2.539 0.000 -13.029) 13.274 11.827 ( -13.405 0.000 19.841) 23.945 12.105 ( -1.950 0.000 12.458) 12.610 12.415 ( -14.720 0.000 6.478) 16.082 12.631 ( -2.281 0.000 -1.215) 2.584 12.781 ( -5.310 0.000 -0.300) 5.319 12.965 ( -1.204 0.000 3.118) 3.342 13.482 ( 17.870 0.000 10.834) 20.898 13.514 ( -13.493 0.000 -23.671) 27.246 13.553 ( 16.393 0.000 16.760) 23.444 13.968 ( -11.553 0.000 -6.468) 13.240 14.069 ( -5.779 0.000 -16.723) 17.694 14.611 ( 6.572 0.000 -11.159) 12.950 14.634 ( -10.891 0.000 11.365) 15.741 14.849 ( -0.441 0.000 -28.031) 28.034 15.235 ( 12.797 0.000 0.062) 12.797 15.340 ( -9.277 0.000 -8.265) 12.425 15.611 ( 21.120 0.000 26.981) 34.264 15.631 ( 7.813 0.000 25.009) 26.201 16.319 ( 1.597 0.000 24.515) 24.567 17.420 ( -27.577 0.000 -33.432) 43.338 17.807 ( 14.417 0.000 20.698) 25.225 18.137 ( -15.257 0.000 6.112) 16.436 18.643 ( -9.896 0.000 -15.327) 18.244 18.713 ( 9.030 0.000 -4.378) 10.036 18.815 ( 9.426 0.000 -10.900) 14.410 19.256 ( -0.690 0.000 -3.061) 3.138 19.267 ( 23.380 0.000 -17.625) 29.279 21.046 ( -0.106 0.000 25.315) 25.315 21.479 ( -3.881 0.000 2.791) 4.780 21.958 ( -19.044 0.000 -2.109) 19.160 22.229 ( -2.828 0.000 -0.628) 2.897 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 11.435 0.000 16.668) 20.214 2.306 ( 20.060 0.000 19.892) 28.251 2.884 ( 1.596 0.000 9.455) 9.589 3.097 ( 3.031 0.000 4.465) 5.397 3.116 ( 2.939 0.000 -13.093) 13.418 3.409 ( 7.967 0.000 5.218) 9.523 3.583 ( 6.787 0.000 3.040) 7.437 3.888 ( -1.043 0.000 -1.086) 1.505 4.130 ( -5.491 0.000 -7.333) 9.161 4.131 ( -6.027 0.000 -5.325) 8.043 4.423 ( 1.247 0.000 5.459) 5.599 4.473 ( -10.759 0.000 -12.438) 16.445 6.347 ( 14.211 0.000 5.546) 15.254 6.616 ( 9.595 0.000 11.581) 15.039 6.845 ( 14.591 0.000 6.500) 15.973 7.053 ( 28.569 0.000 22.397) 36.301 7.538 ( 24.176 0.000 14.760) 28.325 8.370 ( 6.792 0.000 31.669) 32.389 8.447 ( -3.507 0.000 -3.720) 5.113 8.703 ( 4.804 0.000 -3.808) 6.130 8.839 ( 35.479 0.000 7.257) 36.214 9.208 ( -20.987 0.000 -15.071) 25.838 9.273 ( -12.528 0.000 -13.239) 18.227 10.115 ( 21.398 0.000 1.550) 21.454 10.452 ( 14.416 0.000 2.903) 14.705 10.465 ( 3.647 0.000 2.065) 4.192 11.052 ( -2.012 0.000 0.494) 2.071 11.301 ( -0.246 0.000 -9.941) 9.944 11.522 ( -1.159 0.000 9.187) 9.259 11.633 ( 3.315 0.000 -11.007) 11.496 12.051 ( -4.380 0.000 9.414) 10.383 12.179 ( -7.565 0.000 0.612) 7.589 12.576 ( -2.254 0.000 -4.435) 4.974 12.678 ( -5.939 0.000 -11.900) 13.299 12.950 ( 0.768 0.000 -1.658) 1.827 13.122 ( -16.446 0.000 -19.179) 25.265 13.635 ( -7.761 0.000 -11.703) 14.043 13.865 ( -8.268 0.000 -9.883) 12.885 13.965 ( 12.553 0.000 10.093) 16.108 14.062 ( 20.302 0.000 19.465) 28.126 14.319 ( -26.386 0.000 -13.319) 29.557 14.498 ( 0.632 0.000 1.459) 1.590 14.784 ( -9.370 0.000 -25.769) 27.420 15.450 ( 6.209 0.000 6.498) 8.987 15.480 ( 22.296 0.000 -5.608) 22.990 15.735 ( -0.765 0.000 26.273) 26.284 16.168 ( 30.958 0.000 28.972) 42.400 16.558 ( 22.661 0.000 24.444) 33.332 16.805 ( -29.760 0.000 -29.626) 41.993 17.981 ( -0.579 0.000 12.077) 12.090 18.104 ( 10.923 0.000 19.632) 22.466 18.355 ( -15.972 0.000 -11.259) 19.541 18.813 ( 3.928 0.000 4.201) 5.752 18.989 ( 1.653 0.000 -9.474) 9.617 19.237 ( -1.269 0.000 -1.817) 2.217 19.561 ( 3.141 0.000 -7.054) 7.721 21.087 ( 4.964 0.000 13.298) 14.194 21.372 ( -5.980 0.000 -4.198) 7.307 21.547 ( -17.086 0.000 -8.294) 18.993 22.141 ( -5.556 0.000 -3.728) 6.691 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 14.408 0.000 4.722) 15.162 2.707 ( 16.995 0.000 11.717) 20.642 2.903 ( -1.554 0.000 1.489) 2.152 3.149 ( 1.362 0.000 4.807) 4.996 3.149 ( 0.234 0.000 -11.873) 11.876 3.366 ( -4.156 0.000 -7.350) 8.444 3.607 ( -2.300 0.000 -3.690) 4.348 3.992 ( -7.058 0.000 -3.701) 7.969 4.014 ( -4.408 0.000 -5.667) 7.179 4.131 ( 14.730 0.000 9.811) 17.699 4.235 ( -10.974 0.000 -9.682) 14.635 4.449 ( 0.773 0.000 7.860) 7.898 6.753 ( 23.379 0.000 1.558) 23.431 6.877 ( 15.357 0.000 8.428) 17.517 7.174 ( 15.772 0.000 2.698) 16.001 7.574 ( 17.412 0.000 17.939) 25.000 8.020 ( 18.412 0.000 22.033) 28.713 8.285 ( -9.281 0.000 -9.842) 13.528 8.454 ( 1.928 0.000 34.780) 34.833 8.774 ( -17.173 0.000 -0.411) 17.178 8.862 ( 5.013 0.000 0.157) 5.016 8.967 ( -10.918 0.000 -3.514) 11.470 9.686 ( 41.553 0.000 -1.985) 41.600 10.360 ( 2.136 0.000 13.722) 13.887 10.593 ( 8.332 0.000 -1.348) 8.440 10.691 ( -6.272 0.000 7.591) 9.847 10.986 ( 14.540 0.000 7.484) 16.354 11.219 ( -6.948 0.000 -7.186) 9.996 11.635 ( 12.228 0.000 1.243) 12.291 11.806 ( -20.622 0.000 -7.814) 22.053 11.864 ( 8.884 0.000 -12.351) 15.214 12.101 ( 3.372 0.000 -8.784) 9.409 12.550 ( -0.659 0.000 -12.490) 12.507 12.565 ( -1.472 0.000 -11.463) 11.557 12.932 ( -2.686 0.000 -3.652) 4.534 12.964 ( -2.251 0.000 -9.948) 10.199 13.477 ( -3.887 0.000 -15.376) 15.860 13.552 ( -17.502 0.000 -8.499) 19.456 13.603 ( -33.438 0.000 -13.164) 35.936 14.173 ( -2.993 0.000 -8.604) 9.109 14.533 ( 20.598 0.000 23.000) 30.875 14.676 ( 15.810 0.000 -9.338) 18.362 14.704 ( 6.253 0.000 0.322) 6.261 15.483 ( -3.019 0.000 13.827) 14.153 15.570 ( -10.337 0.000 21.567) 23.916 16.076 ( 29.137 0.000 -2.503) 29.244 16.181 ( -28.259 0.000 -25.349) 37.962 16.886 ( 35.693 0.000 27.338) 44.960 17.177 ( 32.488 0.000 20.068) 38.186 17.896 ( -20.324 0.000 -8.903) 22.189 18.063 ( 6.763 0.000 15.352) 16.776 18.325 ( 4.386 0.000 24.070) 24.466 18.817 ( -14.134 0.000 3.511) 14.564 18.921 ( 2.634 0.000 5.563) 6.155 19.187 ( -3.356 0.000 0.424) 3.383 19.381 ( -19.443 0.000 8.686) 21.295 21.248 ( -4.843 0.000 -16.806) 17.490 21.267 ( 11.562 0.000 -1.381) 11.644 21.305 ( -6.501 0.000 -16.339) 17.585 21.996 ( -8.313 0.000 -7.452) 11.164 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 16.507 0.000 -3.818) 16.943 2.738 ( -13.630 0.000 -6.976) 15.311 2.993 ( 10.091 0.000 7.316) 12.464 3.133 ( -3.377 0.000 5.531) 6.481 3.180 ( 3.454 0.000 -6.308) 7.192 3.271 ( -4.678 0.000 -7.201) 8.587 3.660 ( 6.466 0.000 -4.341) 7.788 3.825 ( -8.407 0.000 -4.844) 9.703 3.969 ( 0.546 0.000 -6.437) 6.460 4.045 ( -6.604 0.000 -7.703) 10.147 4.353 ( 6.688 0.000 10.385) 12.353 4.439 ( -1.971 0.000 9.440) 9.643 7.252 ( 19.679 0.000 3.924) 20.066 7.254 ( 21.258 0.000 0.559) 21.265 7.437 ( 5.960 0.000 0.900) 6.028 7.627 ( -12.273 0.000 3.767) 12.838 8.095 ( -6.675 0.000 -2.310) 7.064 8.121 ( -7.620 0.000 3.089) 8.222 8.487 ( 3.630 0.000 31.549) 31.758 8.577 ( -4.227 0.000 25.596) 25.943 8.864 ( 7.605 0.000 -0.986) 7.668 8.992 ( -0.737 0.000 16.394) 16.411 10.347 ( 0.296 0.000 13.547) 13.550 10.455 ( -9.863 0.000 14.654) 17.664 10.513 ( 36.162 0.000 -9.228) 37.321 10.800 ( 10.821 0.000 -2.829) 11.185 11.031 ( -10.547 0.000 -5.569) 11.927 11.252 ( -29.834 0.000 -14.812) 33.309 11.415 ( 19.629 0.000 7.935) 21.172 11.746 ( -11.002 0.000 5.409) 12.259 12.056 ( 22.701 0.000 -10.281) 24.921 12.353 ( 9.024 0.000 -21.410) 23.234 12.563 ( 1.469 0.000 -11.136) 11.233 12.577 ( 0.519 0.000 -10.320) 10.334 12.761 ( -13.192 0.000 -10.388) 16.791 12.936 ( -23.859 0.000 -14.498) 27.919 12.967 ( 6.219 0.000 -2.236) 6.608 13.197 ( -15.061 0.000 -5.141) 15.914 13.618 ( 13.319 0.000 -18.972) 23.181 13.940 ( -15.444 0.000 -22.007) 26.885 14.924 ( 17.416 0.000 9.059) 19.631 14.976 ( 15.869 0.000 19.071) 24.810 15.058 ( 14.749 0.000 -3.152) 15.082 15.302 ( -14.601 0.000 22.183) 26.557 15.351 ( -5.901 0.000 13.867) 15.070 15.625 ( -23.888 0.000 -17.400) 29.553 16.696 ( 29.250 0.000 -6.182) 29.896 17.278 ( -24.580 0.000 -7.282) 25.636 17.644 ( 35.530 0.000 23.782) 42.755 18.013 ( 30.175 0.000 18.098) 35.186 18.237 ( 8.803 0.000 20.975) 22.747 18.336 ( -29.235 0.000 16.682) 33.660 18.343 ( -0.630 0.000 23.251) 23.259 18.820 ( -31.789 0.000 15.791) 35.495 19.012 ( 4.664 0.000 3.055) 5.575 19.107 ( -4.238 0.000 1.607) 4.532 21.196 ( -0.391 0.000 -22.802) 22.806 21.218 ( -2.422 0.000 -20.936) 21.076 21.534 ( 13.065 0.000 -8.976) 15.852 21.791 ( -11.122 0.000 -9.970) 14.937 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.000 14.796 26.152) 30.048 1.729 ( 0.000 1.038 32.934) 32.950 2.734 ( 0.000 5.739 8.981) 10.658 2.972 ( 0.000 -4.466 -6.957) 8.267 2.984 ( 0.000 14.391 33.648) 36.597 3.116 ( 0.000 6.676 -0.654) 6.708 3.794 ( 0.000 3.128 -1.224) 3.359 3.944 ( 0.000 -2.155 -5.269) 5.692 4.108 ( 0.000 -7.387 -11.680) 13.820 4.368 ( 0.000 0.965 -4.170) 4.280 4.382 ( 0.000 -3.609 -1.041) 3.756 4.684 ( 0.000 -2.700 -15.107) 15.347 6.181 ( 0.000 -1.060 19.539) 19.568 6.376 ( 0.000 7.631 11.484) 13.789 6.578 ( 0.000 14.616 8.599) 16.958 6.660 ( 0.000 15.789 14.395) 21.366 6.857 ( 0.000 -2.584 8.469) 8.854 7.670 ( 0.000 -8.539 4.954) 9.872 7.937 ( 0.000 -9.923 5.659) 11.423 8.353 ( 0.000 -6.389 39.600) 40.112 9.004 ( 0.000 2.219 -13.242) 13.427 9.160 ( 0.000 -9.501 -14.550) 17.378 9.360 ( 0.000 -10.571 -13.205) 16.915 9.798 ( 0.000 5.911 -23.538) 24.268 10.201 ( 0.000 2.033 0.800) 2.185 10.511 ( 0.000 -3.536 4.041) 5.369 10.710 ( 0.000 1.794 1.428) 2.293 11.209 ( 0.000 6.102 -8.686) 10.615 11.575 ( 0.000 1.132 -11.805) 11.859 11.945 ( 0.000 -2.334 19.644) 19.782 12.335 ( 0.000 14.503 8.787) 16.957 12.646 ( 0.000 -1.940 10.742) 10.916 12.706 ( 0.000 -1.727 -1.505) 2.290 12.892 ( 0.000 -0.171 3.712) 3.716 13.008 ( 0.000 14.322 -6.225) 15.616 13.104 ( 0.000 -6.075 13.491) 14.796 13.493 ( 0.000 11.155 20.993) 23.773 13.754 ( 0.000 2.802 -28.610) 28.747 13.789 ( 0.000 -21.812 -11.495) 24.656 14.061 ( 0.000 -16.003 -0.785) 16.023 14.618 ( 0.000 19.165 -9.670) 21.467 14.868 ( 0.000 -3.358 -33.745) 33.912 14.937 ( 0.000 -10.369 0.862) 10.405 15.044 ( 0.000 21.235 9.494) 23.260 15.353 ( 0.000 0.874 23.358) 23.375 15.497 ( 0.000 4.956 22.124) 22.672 15.621 ( 0.000 2.681 -5.356) 5.989 16.355 ( 0.000 2.795 21.863) 22.041 17.534 ( 0.000 -8.799 17.920) 19.963 17.822 ( 0.000 0.828 -30.458) 30.469 18.372 ( 0.000 -13.746 8.124) 15.968 18.499 ( 0.000 1.528 -17.919) 17.984 18.527 ( 0.000 -21.443 3.554) 21.735 18.707 ( 0.000 -2.000 -13.888) 14.031 18.782 ( 0.000 -1.127 -19.962) 19.994 19.202 ( 0.000 -5.673 -11.268) 12.615 21.139 ( 0.000 8.593 26.883) 28.223 21.637 ( 0.000 10.750 4.652) 11.714 22.166 ( 0.000 -2.921 -1.364) 3.224 22.266 ( 0.000 0.456 0.590) 0.746 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 8.026 13.094 22.761) 27.458 1.916 ( 15.268 1.819 28.534) 32.413 2.828 ( 4.556 -2.070 2.043) 5.405 2.990 ( 1.190 -4.167 -4.368) 6.153 3.066 ( 7.655 11.739 22.234) 26.283 3.173 ( 8.796 9.152 7.350) 14.668 3.694 ( -7.152 3.005 -3.596) 8.550 3.945 ( -1.668 -1.330 -5.580) 5.974 4.088 ( -1.978 -6.717 -9.432) 11.747 4.310 ( -4.772 -0.134 -3.449) 5.889 4.381 ( -0.223 -2.430 -0.127) 2.444 4.628 ( -5.435 -2.619 -14.156) 15.388 6.225 ( 3.603 4.179 12.783) 13.923 6.533 ( 17.560 4.513 18.545) 25.936 6.634 ( 5.549 14.843 8.197) 17.840 6.743 ( 7.976 14.241 12.761) 20.718 7.082 ( 18.464 -0.593 9.985) 21.000 7.889 ( 19.104 -11.532 4.793) 22.824 8.134 ( 13.632 -12.571 8.580) 20.433 8.384 ( 3.684 -6.436 33.034) 33.856 8.877 ( -4.675 6.050 -11.461) 13.777 9.157 ( -6.671 -18.299 -13.220) 23.540 9.574 ( 19.120 -5.218 -12.391) 23.374 9.787 ( -1.564 12.605 -20.104) 23.780 10.213 ( 2.516 0.138 1.771) 3.080 10.596 ( 0.417 12.185 7.117) 14.118 10.703 ( 5.197 -14.643 -2.937) 15.813 11.181 ( 0.331 -3.459 -13.490) 13.930 11.616 ( -1.098 1.685 0.598) 2.098 11.857 ( -5.204 5.143 10.687) 12.952 12.285 ( -4.326 13.975 8.740) 17.041 12.386 ( -12.138 -1.547 5.103) 13.258 12.706 ( -6.226 3.506 2.824) 7.683 12.869 ( -1.139 4.457 -8.166) 9.372 13.002 ( -3.646 7.582 3.704) 9.192 13.280 ( 17.059 -10.622 9.882) 22.394 13.404 ( -16.635 -10.722 -17.556) 26.455 13.758 ( 16.199 10.880 16.583) 25.609 13.849 ( -1.666 -1.184 -12.290) 12.459 14.124 ( -2.764 -7.548 -9.263) 12.264 14.547 ( 1.049 3.486 -6.835) 7.744 14.797 ( -5.199 -3.063 -28.641) 29.270 14.876 ( -7.429 14.172 6.540) 17.286 15.064 ( -0.378 -6.705 -5.026) 8.388 15.475 ( -6.116 -0.298 -3.997) 7.313 15.592 ( 18.450 5.772 22.168) 29.413 15.724 ( 17.914 6.232 26.536) 32.618 16.363 ( 2.531 5.411 23.806) 24.544 17.452 ( -23.725 2.733 -29.064) 37.618 17.741 ( 12.656 -6.402 18.506) 23.316 18.111 ( -12.714 -2.648 7.126) 14.813 18.509 ( -0.087 -17.667 -2.231) 17.808 18.559 ( -5.379 -11.931 -7.297) 14.984 18.831 ( 11.750 1.423 -18.332) 21.820 18.961 ( 6.420 -17.455 -7.193) 19.941 19.346 ( 12.755 -0.223 -15.666) 20.203 21.129 ( -0.433 8.247 23.276) 24.697 21.597 ( -3.635 10.979 2.364) 11.805 21.973 ( -16.043 0.567 -1.251) 16.101 22.236 ( -2.806 0.485 -0.599) 2.910 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 10.069 11.674 14.303) 21.030 2.295 ( 19.399 0.002 20.063) 27.908 2.893 ( 2.748 0.009 4.610) 5.367 3.022 ( 2.035 -4.615 -3.127) 5.935 3.148 ( 1.837 0.909 -4.896) 5.307 3.490 ( 8.418 6.517 6.594) 12.523 3.559 ( -2.063 -2.498 -1.670) 3.645 3.899 ( 0.248 1.017 1.802) 2.084 4.023 ( -3.287 -4.273 -8.557) 10.114 4.195 ( -5.904 0.401 -4.023) 7.156 4.368 ( -2.308 -3.903 -0.163) 4.537 4.473 ( -7.461 -1.137 -8.253) 11.184 6.402 ( 13.485 6.474 7.854) 16.895 6.778 ( 10.330 14.785 9.478) 20.375 6.951 ( 14.222 11.184 6.618) 19.265 7.082 ( 26.442 2.965 21.783) 34.387 7.545 ( 24.040 0.783 14.965) 28.328 8.275 ( 12.023 -11.319 20.152) 26.053 8.303 ( 1.634 -10.909 7.042) 13.087 8.562 ( 11.031 -9.126 7.265) 16.055 8.918 ( -11.585 -14.295 -6.363) 19.469 9.012 ( 20.094 9.365 -0.957) 22.190 9.620 ( -13.712 21.525 -17.916) 31.182 10.030 ( 18.198 -7.713 -2.656) 19.943 10.330 ( 8.264 -4.739 -0.190) 9.528 10.561 ( 2.368 -1.947 1.170) 3.282 10.877 ( 5.291 -6.001 3.458) 8.716 11.240 ( 1.469 -7.532 -8.614) 11.536 11.510 ( 0.412 -1.363 6.515) 6.669 11.799 ( -2.840 10.199 -2.943) 10.989 12.164 ( -8.137 8.702 5.271) 13.028 12.228 ( -3.152 7.293 -1.713) 8.127 12.601 ( -3.128 1.085 -2.728) 4.290 12.733 ( -11.171 0.697 -21.759) 24.469 12.945 ( -0.716 2.557 1.276) 2.946 13.158 ( -4.966 6.497 -8.589) 11.860 13.610 ( -4.909 -3.319 -5.585) 8.143 13.707 ( 9.829 -13.516 7.241) 18.213 13.908 ( -9.815 3.376 -13.668) 17.162 14.191 ( 5.002 3.775 6.064) 8.720 14.390 ( -11.852 6.447 -1.674) 13.596 14.698 ( -0.020 14.185 -0.554) 14.196 14.771 ( -5.787 0.325 -22.557) 23.290 15.085 ( 8.127 -16.720 3.259) 18.874 15.485 ( 4.984 -8.859 2.949) 10.584 15.985 ( 15.304 16.294 18.401) 28.954 16.227 ( 29.371 6.119 28.816) 41.599 16.544 ( 14.938 1.064 20.336) 25.256 16.904 ( -23.905 9.124 -24.438) 35.382 17.967 ( -1.256 -1.332 10.872) 11.025 18.026 ( 10.532 -7.907 19.058) 23.166 18.286 ( -14.876 -6.629 -9.952) 19.086 18.582 ( 3.714 -22.603 4.461) 23.336 18.939 ( -1.171 -17.026 -5.526) 17.938 19.062 ( 1.584 -3.620 -5.524) 6.792 19.535 ( 1.617 -2.917 -6.571) 7.369 21.158 ( 4.136 7.046 11.667) 14.243 21.494 ( -5.932 11.206 -4.140) 13.338 21.620 ( -14.801 6.033 -7.762) 17.768 22.149 ( -5.451 0.608 -3.765) 6.653 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 12.505 8.368 4.759) 15.781 2.668 ( 14.375 -2.589 11.382) 18.517 2.940 ( 0.789 2.328 -0.846) 2.599 3.071 ( 1.353 -4.523 2.825) 5.502 3.154 ( -0.317 -0.861 -11.552) 11.588 3.420 ( -3.765 1.533 -5.841) 7.117 3.579 ( -1.012 -1.126 -1.643) 2.235 3.863 ( -5.325 -7.828 -0.446) 9.478 4.063 ( -5.269 0.702 -7.133) 8.896 4.127 ( 8.338 -1.229 6.574) 10.689 4.211 ( -8.767 -1.736 -7.436) 11.626 4.412 ( -0.908 -3.599 5.300) 6.471 6.753 ( 18.530 3.708 5.846) 19.781 7.082 ( 18.709 15.887 6.032) 25.275 7.249 ( 13.691 8.671 3.865) 16.660 7.576 ( 16.988 0.113 16.979) 24.019 8.004 ( 16.320 -1.402 20.707) 26.403 8.248 ( -5.991 -3.678 -4.166) 8.172 8.427 ( 4.534 -4.700 32.594) 33.242 8.587 ( -6.899 -10.281 -0.532) 12.393 8.855 ( 8.578 -3.406 15.334) 17.897 9.228 ( -19.584 22.275 -17.042) 34.207 9.697 ( 36.107 1.521 -1.772) 36.182 10.211 ( 1.047 -13.777 4.707) 14.596 10.495 ( 5.191 -5.775 -2.884) 8.283 10.744 ( 2.490 -1.086 2.994) 4.043 10.885 ( 8.741 -4.194 10.419) 14.232 11.275 ( 3.760 1.576 -4.539) 6.101 11.671 ( 1.259 -6.573 -4.939) 8.317 11.762 ( 0.221 6.901 -2.271) 7.268 11.930 ( -5.030 -1.161 -15.840) 16.660 12.169 ( -2.975 12.123 -4.063) 13.128 12.546 ( -1.903 -1.644 -10.328) 10.630 12.619 ( 0.629 5.527 -10.149) 11.574 12.940 ( -1.247 4.463 -4.419) 6.403 13.101 ( -5.574 10.015 -4.817) 12.433 13.382 ( -4.043 -6.639 -13.148) 15.274 13.624 ( -22.993 5.605 -14.398) 27.702 13.680 ( -19.846 7.012 -8.257) 22.610 14.028 ( 5.139 -10.843 0.338) 12.003 14.426 ( 1.014 -8.163 -3.280) 8.855 14.847 ( 14.320 11.586 11.326) 21.623 14.883 ( 14.902 14.002 -4.513) 20.940 15.137 ( -3.919 -17.542 13.962) 22.760 15.605 ( 2.819 -8.077 5.927) 10.407 16.238 ( -11.077 10.339 -13.827) 20.513 16.327 ( 2.809 18.481 0.618) 18.704 16.922 ( 34.788 3.606 26.970) 44.166 17.159 ( 31.002 -2.017 18.552) 36.186 17.836 ( -20.059 -5.539 -7.742) 22.203 18.026 ( 5.359 -3.760 13.645) 15.134 18.246 ( 3.857 -8.136 23.364) 25.039 18.672 ( 3.535 -19.717 2.993) 20.253 18.836 ( -9.727 -9.825 2.505) 14.051 18.955 ( -9.520 -13.327 5.169) 17.175 19.370 ( -16.282 -2.379 7.631) 18.138 21.312 ( 8.700 5.301 -4.156) 11.003 21.365 ( -3.473 9.279 -15.072) 18.037 21.417 ( -5.569 10.483 -13.653) 18.091 22.007 ( -8.050 0.978 -7.592) 11.108 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 14.616 4.461 -2.494) 15.484 2.737 ( -10.302 -0.111 -4.100) 11.088 2.966 ( 5.014 -1.551 2.011) 5.621 3.047 ( -2.222 -5.774 1.173) 6.297 3.232 ( 6.186 3.937 -4.582) 8.647 3.351 ( -4.313 4.761 -4.520) 7.855 3.614 ( 4.744 -4.336 -2.391) 6.858 3.741 ( -6.312 -7.496 -2.484) 10.110 3.977 ( -1.309 -0.189 -5.870) 6.017 4.029 ( -5.923 -1.297 -6.648) 8.998 4.296 ( 5.408 -5.352 7.846) 10.929 4.378 ( -2.588 -5.798 7.582) 9.889 7.141 ( 17.591 -0.301 4.437) 18.145 7.382 ( -0.125 -0.234 3.727) 3.736 7.560 ( 18.279 17.595 2.665) 25.511 7.731 ( 0.443 6.004 4.055) 7.259 8.052 ( -4.893 -3.889 4.661) 7.797 8.136 ( -7.231 1.625 5.075) 8.982 8.506 ( 3.588 -0.370 33.560) 33.754 8.566 ( -0.575 -1.314 26.178) 26.217 8.957 ( -1.596 10.541 -7.705) 13.154 8.985 ( 1.308 0.656 10.321) 10.424 10.211 ( 1.952 -10.956 6.476) 12.876 10.256 ( 4.456 -9.046 2.308) 10.345 10.623 ( 20.183 -0.134 -4.825) 20.752 10.812 ( 7.419 0.136 -1.120) 7.504 11.012 ( -3.579 -2.400 0.748) 4.374 11.234 ( -25.845 -3.007 -16.411) 30.763 11.502 ( 16.147 7.401 4.146) 18.240 11.822 ( -10.283 7.805 5.395) 13.992 12.068 ( 18.581 -1.720 -9.963) 21.153 12.281 ( 11.994 -1.391 -13.642) 18.218 12.499 ( -6.476 -6.519 -11.113) 14.420 12.566 ( -11.119 -0.323 -6.177) 12.723 12.795 ( -3.604 4.997 -10.640) 12.296 12.932 ( -12.518 7.147 -11.216) 18.265 13.212 ( -0.792 14.570 -3.955) 15.118 13.380 ( -12.315 14.514 -4.999) 19.679 13.554 ( 13.936 -3.691 -19.737) 24.441 13.876 ( -14.767 -4.704 -22.364) 27.210 14.632 ( 14.598 -18.789 17.203) 29.361 14.922 ( -11.705 -20.590 18.643) 30.141 15.188 ( 17.123 14.684 -1.643) 22.616 15.283 ( 16.616 13.910 4.295) 22.091 15.531 ( -8.382 3.095 13.355) 16.069 15.743 ( -22.789 11.344 -17.447) 30.862 16.760 ( 24.686 7.659 -0.670) 25.855 17.281 ( -23.201 0.882 -5.083) 23.768 17.657 ( 33.747 0.831 22.932) 40.810 17.913 ( 26.557 -10.687 15.309) 32.463 18.169 ( 7.544 -6.785 18.514) 21.112 18.254 ( -2.725 -6.621 22.061) 23.194 18.389 ( -22.541 2.766 17.065) 28.407 18.657 ( -22.336 -17.589 9.751) 30.056 18.834 ( 5.830 -16.404 5.478) 18.250 19.008 ( -12.593 -7.437 8.306) 16.819 21.305 ( -0.149 9.804 -21.578) 23.701 21.333 ( -2.652 10.592 -19.147) 22.042 21.568 ( 12.215 3.194 -9.448) 15.769 21.811 ( -10.614 1.778 -10.243) 14.857 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.000 14.435 19.165) 23.993 1.978 ( 0.000 18.428 17.195) 25.204 2.728 ( 0.000 -3.943 7.494) 8.468 2.842 ( 0.000 -9.151 -6.386) 11.159 3.286 ( 0.000 10.310 -0.242) 10.313 3.327 ( 0.000 15.521 15.560) 21.978 3.873 ( 0.000 4.440 -1.121) 4.580 3.893 ( 0.000 -2.810 -5.981) 6.608 4.036 ( 0.000 0.899 -11.215) 11.251 4.296 ( 0.000 -5.109 -2.386) 5.639 4.322 ( 0.000 -4.630 -2.099) 5.084 4.599 ( 0.000 -6.208 -14.513) 15.785 6.219 ( 0.000 5.231 21.982) 22.596 6.551 ( 0.000 10.076 5.998) 11.727 6.782 ( 0.000 -5.613 13.916) 15.005 6.848 ( 0.000 9.742 1.927) 9.931 7.064 ( 0.000 25.703 11.623) 28.209 7.515 ( 0.000 -4.915 11.793) 12.776 7.851 ( 0.000 3.863 6.913) 7.919 8.165 ( 0.000 -12.996 36.960) 39.178 8.791 ( 0.000 -23.663 -3.423) 23.909 8.909 ( 0.000 -16.876 -14.768) 22.425 9.324 ( 0.000 6.175 -17.602) 18.654 9.796 ( 0.000 -7.221 -11.011) 13.168 10.285 ( 0.000 6.529 -2.988) 7.180 10.463 ( 0.000 2.164 -10.061) 10.291 10.872 ( 0.000 11.890 6.343) 13.476 11.297 ( 0.000 2.033 -1.440) 2.492 11.701 ( 0.000 12.054 -3.940) 12.682 11.934 ( 0.000 1.074 13.194) 13.238 12.365 ( 0.000 -7.237 8.817) 11.406 12.632 ( 0.000 -3.208 -4.959) 5.906 12.846 ( 0.000 16.582 9.362) 19.043 12.878 ( 0.000 -2.245 4.245) 4.802 13.040 ( 0.000 0.855 5.731) 5.794 13.209 ( 0.000 -0.605 -6.757) 6.784 13.363 ( 0.000 -19.688 -11.752) 22.929 13.681 ( 0.000 -5.790 -7.678) 9.617 13.707 ( 0.000 8.449 21.639) 23.230 13.890 ( 0.000 -3.010 -7.301) 7.897 14.754 ( 0.000 -7.599 -3.372) 8.314 14.774 ( 0.000 -4.671 -31.421) 31.766 14.969 ( 0.000 16.066 -8.396) 18.128 15.375 ( 0.000 1.428 21.571) 21.618 15.389 ( 0.000 7.558 13.701) 15.648 15.574 ( 0.000 0.538 3.953) 3.989 15.766 ( 0.000 20.821 4.617) 21.327 16.475 ( 0.000 10.121 21.846) 24.077 17.306 ( 0.000 -14.648 17.416) 22.757 17.741 ( 0.000 -16.265 -10.056) 19.123 18.070 ( 0.000 -17.827 -4.018) 18.274 18.110 ( 0.000 -11.483 11.229) 16.061 18.540 ( 0.000 2.648 -17.663) 17.861 18.674 ( 0.000 -1.127 -16.689) 16.727 18.762 ( 0.000 -0.451 -21.513) 21.517 19.071 ( 0.000 -7.666 -20.997) 22.353 21.357 ( 0.000 13.398 22.085) 25.831 21.874 ( 0.000 12.649 3.462) 13.114 22.066 ( 0.000 -7.638 4.405) 8.817 22.265 ( 0.000 -0.890 0.872) 1.246 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 10.414 14.134 15.329) 23.307 2.084 ( 8.754 15.336 18.283) 25.418 2.761 ( 3.359 -5.096 2.964) 6.785 2.870 ( 1.965 -8.588 -3.691) 9.551 3.235 ( -3.357 7.573 0.794) 8.322 3.400 ( 5.182 9.310 9.333) 14.165 3.758 ( -6.808 3.128 -4.546) 8.763 3.933 ( -0.016 -0.335 -1.782) 1.813 4.020 ( -1.030 1.464 -8.967) 9.144 4.247 ( -3.585 -4.237 -2.590) 6.125 4.328 ( -0.212 -3.839 -2.024) 4.345 4.548 ( -4.666 -5.635 -13.199) 15.091 6.354 ( 10.151 9.336 16.679) 21.643 6.657 ( 14.376 7.536 14.167) 21.545 6.919 ( 6.855 10.844 2.356) 13.043 7.055 ( 19.033 2.391 13.313) 23.350 7.133 ( 8.093 21.095 11.147) 25.194 7.664 ( 13.101 -9.206 8.046) 17.920 7.960 ( 8.354 -3.573 15.759) 18.190 8.216 ( 5.668 -9.763 25.776) 28.140 8.747 ( -4.853 -23.546 -4.755) 24.507 8.900 ( 2.971 -7.283 -6.844) 10.426 9.503 ( 14.181 -0.191 -16.831) 22.009 9.884 ( 8.136 -4.699 -10.629) 14.186 10.293 ( 0.915 7.755 -4.867) 9.201 10.528 ( 2.761 -0.971 -7.205) 7.777 10.864 ( -1.351 14.437 6.883) 16.051 11.135 ( -8.661 -0.468 -9.257) 12.686 11.618 ( -7.557 0.273 9.825) 12.398 11.967 ( -0.840 2.643 7.923) 8.394 12.351 ( 0.270 1.355 0.351) 1.426 12.525 ( -7.189 7.001 -0.987) 10.083 12.748 ( -7.089 0.614 4.292) 8.309 12.919 ( -9.842 -4.568 -12.876) 16.838 13.033 ( 6.310 -4.955 9.619) 12.525 13.063 ( -1.639 0.109 -0.341) 1.677 13.432 ( 5.278 7.580 -5.327) 10.662 13.819 ( -3.901 -7.411 -1.208) 8.462 13.864 ( 8.820 -5.433 -7.128) 12.575 13.952 ( 16.952 2.567 13.762) 21.985 14.595 ( -8.248 0.657 -8.994) 12.221 14.731 ( -4.837 -3.108 -26.692) 27.304 15.028 ( -2.196 3.528 -9.891) 10.728 15.177 ( -8.453 11.783 5.876) 15.647 15.403 ( -7.740 -3.094 5.635) 10.061 15.691 ( 15.342 -0.189 18.344) 23.914 15.930 ( 16.935 19.358 19.786) 32.450 16.550 ( 6.639 13.783 21.045) 26.018 17.435 ( 2.778 -8.504 2.543) 9.301 17.625 ( -4.957 -4.512 -4.807) 8.248 17.995 ( -2.044 -28.129 4.520) 28.563 18.041 ( -5.507 -4.750 8.456) 11.153 18.391 ( -10.150 -7.601 -12.431) 17.757 18.565 ( -7.515 -16.577 -13.081) 22.413 18.950 ( 12.760 5.393 -18.825) 23.373 19.293 ( 12.971 -4.669 -17.664) 22.407 21.337 ( -1.456 12.619 18.585) 22.512 21.836 ( -3.591 12.387 1.583) 12.993 21.943 ( -10.290 -3.913 2.241) 11.235 22.236 ( -2.750 -0.876 -0.424) 2.917 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 7.728 16.112 9.161) 20.081 2.350 ( 15.674 6.203 16.376) 23.502 2.860 ( 5.097 -3.710 1.232) 6.424 2.921 ( 3.774 -6.542 -4.431) 8.756 3.162 ( -3.170 0.973 -3.770) 5.020 3.439 ( -4.416 -7.408 -1.255) 8.715 3.646 ( -2.099 6.817 -0.415) 7.145 3.882 ( -4.894 -2.451 -0.881) 5.544 4.033 ( 2.875 4.247 -2.263) 5.605 4.157 ( -4.998 -2.414 -4.648) 7.239 4.300 ( -3.033 -3.479 -1.558) 4.871 4.421 ( -6.400 -4.087 -8.465) 11.372 6.603 ( 13.788 14.088 10.754) 22.455 7.073 ( 16.229 12.435 12.581) 24.006 7.149 ( 19.881 6.145 12.836) 24.450 7.284 ( 9.988 20.946 8.741) 24.797 7.571 ( 23.934 1.835 15.682) 28.673 7.980 ( 14.351 -16.472 10.568) 24.269 8.103 ( 4.784 -10.007 20.807) 23.579 8.405 ( 8.074 -7.323 2.819) 11.259 8.642 ( -1.158 -12.598 4.281) 13.356 9.130 ( 19.830 -1.335 2.644) 20.050 9.797 ( 11.466 -5.118 -14.106) 18.885 10.103 ( 5.058 12.969 -12.121) 18.458 10.266 ( -3.134 2.320 -3.729) 5.395 10.451 ( -1.684 -1.602 -2.043) 3.094 10.871 ( 0.713 -2.012 -1.331) 2.516 11.112 ( 4.475 -2.901 -5.121) 7.393 11.485 ( -1.720 -0.935 8.741) 8.958 11.857 ( -7.066 -4.191 4.082) 9.174 12.243 ( -14.048 -0.651 -12.302) 18.684 12.468 ( 2.689 14.559 -4.014) 15.340 12.640 ( -3.153 4.722 -1.959) 6.006 12.718 ( -4.389 -1.518 -6.830) 8.259 13.006 ( 0.224 5.237 0.389) 5.256 13.298 ( 9.085 -2.484 7.278) 11.903 13.534 ( 4.475 3.653 -3.430) 6.718 13.596 ( -13.838 1.030 -6.557) 15.347 13.959 ( -2.761 -1.145 -7.718) 8.276 14.214 ( -0.754 -1.143 -0.976) 1.681 14.456 ( -5.876 -0.688 -2.462) 6.408 14.686 ( -6.368 -6.216 -3.641) 9.615 14.765 ( 2.191 1.442 -13.546) 13.797 15.192 ( 2.359 0.995 0.703) 2.655 15.316 ( 2.223 9.542 1.712) 9.946 16.139 ( 24.571 -0.820 18.579) 30.815 16.399 ( 26.756 12.260 26.233) 39.425 16.712 ( 7.605 16.372 18.045) 25.524 17.125 ( -19.034 13.642 -19.367) 30.388 17.814 ( 10.572 -13.673 18.331) 25.195 17.940 ( -3.190 -1.297 7.754) 8.484 18.026 ( 4.611 -33.094 5.772) 33.908 18.131 ( -13.656 -8.989 -6.396) 17.556 18.439 ( -5.076 -28.395 -6.616) 29.594 19.115 ( 1.042 4.836 -7.343) 8.854 19.454 ( 0.623 -5.305 -6.384) 8.324 21.332 ( 1.945 10.294 7.927) 13.137 21.681 ( -10.223 3.301 -5.167) 11.921 21.764 ( -5.553 11.532 -4.142) 13.453 22.152 ( -5.202 -0.728 -3.828) 6.500 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 8.588 12.689 4.410) 15.944 2.647 ( 10.775 0.777 8.893) 13.993 2.931 ( 1.981 -2.935 -0.890) 3.651 3.040 ( 2.612 0.994 0.318) 2.813 3.113 ( 1.383 -3.729 -10.249) 10.994 3.320 ( -2.247 -9.512 -4.124) 10.608 3.614 ( -2.319 2.035 0.136) 3.089 3.747 ( -7.426 -3.420 -0.370) 8.184 4.035 ( -5.372 -2.526 -1.027) 6.024 4.107 ( 1.440 0.052 -2.873) 3.214 4.181 ( -6.432 -1.757 -4.240) 7.902 4.323 ( -3.516 -5.443 0.887) 6.540 6.915 ( 15.322 12.651 9.436) 21.997 7.365 ( 11.606 13.699 7.348) 19.400 7.514 ( 14.324 12.123 12.247) 22.408 7.585 ( 15.865 4.528 9.352) 18.965 7.977 ( 10.729 -1.053 19.260) 22.072 8.155 ( -0.300 -5.752 6.124) 8.407 8.227 ( 10.074 -14.364 23.868) 29.622 8.422 ( 1.609 -7.991 8.893) 12.063 8.835 ( 13.473 2.718 10.106) 17.060 9.656 ( 22.278 -3.286 -5.637) 23.214 9.741 ( -19.717 21.379 -12.282) 31.570 9.994 ( 8.848 -1.488 -4.850) 10.199 10.422 ( 3.787 -1.939 -7.022) 8.210 10.597 ( 9.885 -10.067 0.227) 14.111 10.856 ( 3.054 -3.034 7.834) 8.939 11.220 ( 4.175 -8.580 -11.402) 14.868 11.530 ( -0.803 -5.432 -3.278) 6.395 11.735 ( -1.904 -10.676 -9.235) 14.244 12.012 ( -1.141 12.614 -3.003) 13.017 12.494 ( -1.697 15.282 -8.554) 17.595 12.577 ( -3.961 7.036 -2.733) 8.524 12.708 ( 0.486 3.464 -1.574) 3.836 13.035 ( -0.217 5.102 -4.056) 6.521 13.189 ( -13.147 -4.751 -4.356) 14.642 13.399 ( -3.833 9.793 -9.922) 14.458 13.599 ( -8.292 -9.123 -4.078) 12.985 13.847 ( -4.967 8.918 -1.954) 10.394 14.005 ( -1.611 9.671 -0.893) 9.845 14.256 ( -11.612 -8.254 -17.349) 22.449 14.677 ( -0.157 -14.607 5.913) 15.759 15.020 ( 14.720 1.865 13.847) 20.296 15.277 ( 7.099 -9.931 -0.242) 12.210 15.456 ( 9.371 20.300 -6.797) 23.369 16.462 ( -8.811 12.138 -10.651) 18.396 16.743 ( 7.428 22.033 10.833) 25.651 17.019 ( 30.275 6.292 24.843) 39.666 17.101 ( 20.178 -2.826 12.584) 23.948 17.727 ( -16.764 -4.644 -2.974) 17.648 17.926 ( 1.303 -6.526 8.410) 10.724 18.021 ( 2.881 -15.148 19.727) 25.039 18.196 ( 10.375 -26.398 9.121) 29.794 18.332 ( -5.450 -31.590 -0.542) 32.061 18.960 ( -15.423 4.396 7.586) 17.741 19.293 ( -15.439 -5.279 7.361) 17.900 21.436 ( 7.506 6.926 -4.890) 11.324 21.529 ( -3.579 6.543 -14.724) 16.505 21.653 ( -4.963 12.668 -10.705) 17.312 22.019 ( -7.370 -0.160 -7.995) 10.875 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 9.831 7.582 0.122) 12.416 2.739 ( -3.527 0.591 0.739) 3.651 2.950 ( -0.347 -4.304 -1.158) 4.471 2.954 ( -2.276 -0.301 -4.439) 4.998 3.293 ( 9.511 1.790 -3.866) 10.422 3.370 ( 3.716 -3.516 -3.696) 6.311 3.541 ( -3.828 -2.726 -0.154) 4.702 3.589 ( -7.017 -6.529 1.189) 9.658 3.957 ( -0.767 -0.816 -3.209) 3.399 4.013 ( -5.522 -0.156 -4.625) 7.205 4.179 ( 2.628 -6.225 2.621) 7.247 4.247 ( -3.663 -7.222 3.736) 8.918 7.230 ( 14.094 8.966 8.255) 18.632 7.445 ( -4.249 6.730 7.211) 10.740 7.778 ( 7.062 -0.186 8.733) 11.233 7.875 ( 5.322 10.101 5.408) 12.633 7.975 ( 4.865 -2.126 13.166) 14.196 8.165 ( -2.958 1.174 13.206) 13.584 8.417 ( 7.520 -8.235 28.746) 30.833 8.503 ( 1.065 -5.972 26.694) 27.374 9.073 ( 8.936 10.601 -1.802) 13.982 9.297 ( -15.551 23.317 -16.283) 32.414 10.021 ( 10.000 -8.678 -2.866) 13.547 10.175 ( -1.124 0.052 -0.282) 1.159 10.532 ( 14.528 -6.612 -8.338) 18.008 10.719 ( 2.756 -8.796 -5.058) 10.514 10.947 ( 0.657 -5.847 1.901) 6.183 11.084 ( -15.522 -12.851 -17.088) 26.421 11.642 ( 17.900 6.456 -0.035) 19.028 11.920 ( 12.882 -6.215 -8.910) 16.851 12.030 ( -4.176 9.064 3.988) 10.747 12.394 ( -18.559 -3.546 -9.253) 21.038 12.434 ( 3.476 13.284 -0.542) 13.742 12.606 ( -9.648 5.951 -0.324) 11.340 12.911 ( 3.734 5.332 -10.413) 12.280 13.130 ( -14.944 9.864 -13.528) 22.441 13.296 ( 10.827 -3.919 -8.594) 14.368 13.478 ( -4.500 -0.574 -2.328) 5.099 13.764 ( 0.239 15.589 -5.945) 16.686 13.907 ( -11.211 9.167 -19.534) 24.316 14.290 ( 12.900 -13.180 10.173) 21.062 14.552 ( -10.509 -13.680 9.523) 19.704 15.297 ( 10.215 -5.576 13.213) 17.608 15.401 ( 1.186 -15.648 5.728) 16.706 15.707 ( 15.482 29.247 -13.072) 35.580 16.087 ( -19.689 24.350 -17.057) 35.659 17.003 ( 14.293 16.907 10.025) 24.303 17.341 ( -17.041 5.843 2.402) 18.174 17.565 ( 19.726 -21.568 6.838) 30.018 17.642 ( 17.727 -9.802 14.219) 24.749 18.004 ( 9.564 -9.759 12.998) 18.859 18.094 ( 5.080 -8.719 21.536) 23.783 18.199 ( -7.136 -24.647 9.592) 27.393 18.414 ( 1.151 -8.590 14.791) 17.143 18.546 ( -11.976 -4.324 15.819) 20.307 18.871 ( -22.210 -6.967 14.587) 27.470 21.503 ( 1.392 9.544 -18.689) 21.031 21.559 ( -3.533 11.546 -16.450) 20.406 21.638 ( 9.843 3.592 -10.831) 15.069 21.844 ( -9.269 1.165 -11.059) 14.477 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 0.000 16.194 5.968) 17.259 2.283 ( 0.000 10.985 9.322) 14.408 2.616 ( 0.000 -6.858 9.026) 11.336 2.634 ( 0.000 -10.947 0.218) 10.949 3.465 ( 0.000 6.753 -5.190) 8.517 3.500 ( 0.000 3.140 -4.072) 5.142 3.865 ( 0.000 0.870 -2.786) 2.919 3.911 ( 0.000 -1.425 -1.214) 1.872 4.117 ( 0.000 4.221 -0.982) 4.334 4.197 ( 0.000 -4.896 -2.207) 5.371 4.290 ( 0.000 4.711 -8.611) 9.815 4.449 ( 0.000 -9.089 -12.564) 15.507 6.380 ( 0.000 11.190 21.153) 23.930 6.614 ( 0.000 -11.772 18.178) 21.657 6.741 ( 0.000 9.240 1.252) 9.325 6.882 ( 0.000 -4.622 -2.273) 5.151 7.582 ( 0.000 11.197 26.382) 28.660 7.609 ( 0.000 29.178 7.661) 30.167 7.882 ( 0.000 -14.614 31.561) 34.780 8.067 ( 0.000 11.519 -1.614) 11.631 8.272 ( 0.000 -23.359 4.184) 23.731 8.523 ( 0.000 -22.274 -6.719) 23.265 9.464 ( 0.000 7.614 -13.739) 15.707 9.620 ( 0.000 -9.016 -8.348) 12.287 10.424 ( 0.000 6.859 -10.066) 12.181 10.503 ( 0.000 -0.573 -15.593) 15.603 11.105 ( 0.000 11.376 7.220) 13.474 11.269 ( 0.000 -5.107 5.586) 7.569 11.947 ( 0.000 7.370 8.427) 11.195 11.963 ( 0.000 1.501 9.799) 9.914 12.323 ( 0.000 9.422 -3.835) 10.173 12.622 ( 0.000 -4.591 -4.306) 6.294 12.735 ( 0.000 -7.466 -9.315) 11.938 12.871 ( 0.000 -9.627 0.058) 9.627 13.070 ( 0.000 -4.661 5.064) 6.882 13.084 ( 0.000 -6.645 0.666) 6.678 13.309 ( 0.000 19.452 0.974) 19.477 13.612 ( 0.000 -9.292 1.298) 9.382 13.820 ( 0.000 2.879 16.520) 16.769 13.833 ( 0.000 -0.588 3.390) 3.441 14.669 ( 0.000 -1.307 -14.022) 14.083 14.691 ( 0.000 -3.235 -25.339) 25.544 15.252 ( 0.000 13.242 -6.327) 14.676 15.403 ( 0.000 1.386 19.151) 19.201 15.424 ( 0.000 -0.546 18.049) 18.058 15.471 ( 0.000 -9.280 -5.528) 10.802 16.365 ( 0.000 35.937 8.309) 36.885 16.734 ( 0.000 16.657 19.490) 25.638 16.971 ( 0.000 -21.999 15.507) 26.915 17.176 ( 0.000 -32.683 8.562) 33.785 17.945 ( 0.000 -1.314 -5.674) 5.824 17.965 ( 0.000 -3.825 4.104) 5.610 18.595 ( 0.000 2.988 -17.308) 17.564 18.647 ( 0.000 -2.169 -17.091) 17.228 18.797 ( 0.000 4.558 -25.607) 26.010 18.920 ( 0.000 -7.653 -25.668) 26.785 21.626 ( 0.000 14.066 16.409) 21.613 21.878 ( 0.000 -11.799 10.506) 15.798 22.087 ( 0.000 9.153 2.328) 9.444 22.217 ( 0.000 -4.437 1.446) 4.667 ======================= Grid point 154 (57/100) ======================= q-point: ( 0.11 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 8.705 15.756 5.292) 18.763 2.376 ( 7.216 12.591 10.215) 17.746 2.624 ( 2.198 -9.005 1.689) 9.422 2.666 ( 2.407 -11.587 4.703) 12.735 3.371 ( -7.331 6.285 -5.093) 10.917 3.458 ( -5.064 -2.098 -5.237) 7.581 3.824 ( -2.996 4.078 -1.312) 5.227 3.901 ( -1.723 -3.169 -1.336) 3.847 4.113 ( -0.175 4.871 -0.054) 4.874 4.197 ( -0.488 -3.115 -3.257) 4.533 4.279 ( -0.955 3.195 -7.524) 8.230 4.416 ( -3.081 -7.951 -11.792) 14.552 6.572 ( 15.719 12.539 18.470) 27.303 6.748 ( 13.353 -1.801 14.822) 20.031 6.976 ( 18.383 0.063 7.419) 19.823 7.033 ( 14.837 -3.651 0.910) 15.307 7.599 ( 3.281 18.040 15.242) 23.843 7.691 ( 5.587 17.959 12.583) 22.629 7.857 ( -0.284 -10.993 27.439) 29.561 8.141 ( 3.704 -8.458 -1.422) 9.342 8.323 ( 6.958 -5.948 8.003) 12.159 8.611 ( 8.951 -20.032 -0.696) 21.952 9.576 ( 9.781 6.583 -12.998) 17.548 9.727 ( 9.728 -8.879 -7.919) 15.368 10.443 ( 1.536 7.174 -10.004) 12.406 10.538 ( 2.672 -1.767 -14.351) 14.704 11.096 ( -1.499 8.274 5.586) 10.095 11.161 ( -9.668 1.096 -0.100) 9.730 11.691 ( -13.706 8.605 7.291) 17.749 11.895 ( -9.988 -9.413 8.938) 16.379 12.392 ( 0.648 4.414 -6.662) 8.018 12.583 ( -2.721 -14.601 -5.266) 15.758 12.712 ( 1.144 12.022 -3.424) 12.552 12.814 ( -7.803 -0.366 1.455) 7.946 13.000 ( 1.582 2.671 4.127) 5.164 13.217 ( 9.524 -11.093 -2.015) 14.758 13.387 ( 4.903 10.960 1.489) 12.098 13.685 ( 3.044 -13.731 0.189) 14.065 13.852 ( 2.768 8.285 2.697) 9.142 13.971 ( 10.830 -2.797 11.780) 16.244 14.622 ( -3.479 2.369 -12.880) 13.551 14.673 ( -1.695 -2.844 -18.490) 18.784 15.121 ( -13.864 5.248 -13.784) 20.242 15.216 ( -16.013 -4.232 -10.287) 19.497 15.475 ( 8.562 7.888 22.212) 25.078 15.616 ( 14.540 -6.312 22.849) 27.809 16.458 ( 8.811 33.399 11.202) 36.313 16.848 ( 9.082 14.933 18.045) 25.122 17.134 ( 12.415 -25.046 12.940) 30.804 17.236 ( 6.089 -24.779 10.804) 27.710 17.829 ( -10.892 4.892 -6.889) 13.785 17.942 ( -2.140 -5.792 4.402) 7.584 18.289 ( -16.580 -2.143 -14.795) 22.324 18.334 ( -18.597 -7.170 -19.309) 27.750 19.063 ( 13.200 6.300 -18.755) 23.784 19.185 ( 13.203 -6.231 -18.426) 23.509 21.585 ( -3.347 12.691 13.093) 18.539 21.802 ( -6.394 -9.521 7.531) 13.720 22.057 ( -2.808 9.181 0.646) 9.622 22.188 ( -2.743 -4.466 -0.011) 5.242 ======================= Grid point 155 (58/100) ======================= q-point: ( 0.22 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 5.645 13.883 4.534) 15.658 2.523 ( 9.428 10.945 8.117) 16.570 2.740 ( 7.128 -8.788 4.610) 12.219 2.757 ( 8.530 -10.339 -1.424) 13.479 3.201 ( -7.847 3.440 -5.962) 10.438 3.297 ( -9.209 -6.572 -5.576) 12.613 3.749 ( -4.335 4.336 -0.202) 6.135 3.828 ( -5.162 -3.627 -0.924) 6.376 4.102 ( -1.342 3.524 1.851) 4.201 4.164 ( -2.540 -0.009 -5.742) 6.279 4.245 ( -2.615 0.324 -4.187) 4.947 4.327 ( -5.182 -5.463 -9.257) 11.933 6.910 ( 15.276 16.485 12.542) 25.738 7.131 ( 19.591 -4.203 15.957) 25.615 7.327 ( 16.670 8.460 8.202) 20.414 7.505 ( 23.989 -9.833 14.523) 29.717 7.704 ( 5.994 17.697 8.092) 20.362 7.827 ( 7.597 6.706 16.078) 19.005 7.925 ( 6.758 -8.183 18.970) 21.737 8.171 ( 0.704 -18.430 0.952) 18.468 8.599 ( 17.693 10.123 8.461) 22.071 8.908 ( 18.929 -18.230 3.452) 26.506 9.825 ( 12.892 7.410 -8.397) 17.077 10.005 ( 15.832 -10.223 -5.419) 19.610 10.477 ( 1.493 7.145 -8.294) 11.049 10.568 ( -1.872 3.213 -11.509) 12.095 10.850 ( -14.836 9.166 -9.867) 20.037 11.067 ( -4.411 -6.137 -3.250) 8.227 11.497 ( -3.994 3.307 6.633) 8.420 11.658 ( -10.099 -13.020 0.787) 16.496 12.316 ( -4.904 9.339 -5.754) 12.016 12.527 ( -2.327 -9.718 -3.099) 10.462 12.736 ( 1.507 3.836 -1.560) 4.407 12.754 ( 3.375 4.139 -0.972) 5.428 13.126 ( 5.356 8.596 -0.937) 10.171 13.324 ( -0.287 -1.397 2.224) 2.642 13.439 ( -2.175 2.810 1.645) 3.916 13.694 ( -1.649 -10.965 -3.673) 11.681 13.917 ( 1.857 8.696 0.620) 8.913 14.117 ( 0.797 -8.891 -3.734) 9.676 14.509 ( -7.044 7.088 -6.211) 11.766 14.631 ( -7.041 -3.588 -3.927) 8.825 14.824 ( -2.805 5.075 -11.436) 12.822 14.978 ( -5.415 -11.081 -6.376) 13.883 15.727 ( 13.840 20.075 9.146) 26.043 16.019 ( 22.572 -10.678 16.721) 30.052 16.738 ( 17.962 23.494 18.418) 34.840 17.042 ( 8.596 11.887 16.751) 22.266 17.381 ( 2.610 0.797 2.636) 3.794 17.391 ( 8.343 -21.588 8.097) 24.519 17.577 ( -4.225 -3.641 6.833) 8.820 17.872 ( -6.277 -18.684 2.333) 19.848 17.950 ( -12.541 -1.415 -5.849) 13.910 18.022 ( -11.998 -8.634 -10.392) 18.069 19.221 ( 0.525 6.066 -6.876) 9.185 19.341 ( 0.376 -6.263 -6.532) 9.057 21.524 ( -1.405 9.125 3.400) 9.839 21.660 ( -5.817 -4.576 -1.279) 7.511 21.975 ( -4.797 9.261 -3.842) 11.115 22.106 ( -4.947 -4.399 -3.853) 7.660 ======================= Grid point 156 (59/100) ======================= q-point: ( 0.33 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 5.399 10.475 2.751) 12.101 2.685 ( 5.665 1.836 3.129) 6.727 2.882 ( 3.329 -0.811 4.025) 5.286 2.976 ( 8.103 -8.690 -0.150) 11.883 3.084 ( -1.439 2.182 -5.931) 6.481 3.157 ( 0.402 -6.008 -6.120) 8.586 3.637 ( -6.257 1.805 0.221) 6.516 3.694 ( -7.343 -3.397 -0.601) 8.113 4.042 ( -3.915 3.372 0.772) 5.224 4.106 ( -2.740 -1.585 -4.644) 5.620 4.155 ( -5.846 0.451 -3.357) 6.756 4.216 ( -5.089 -5.171 -2.862) 7.799 7.203 ( 12.704 16.144 11.798) 23.690 7.460 ( 11.339 -8.514 11.910) 18.518 7.643 ( 9.980 12.668 15.412) 22.307 7.797 ( 7.918 4.785 13.691) 16.524 7.926 ( 5.609 -6.349 13.858) 16.243 7.983 ( 10.603 -5.388 12.801) 17.473 8.102 ( 9.406 2.292 14.512) 17.445 8.248 ( 7.435 -10.021 15.979) 20.274 9.002 ( 19.535 14.912 0.475) 24.580 9.351 ( 21.572 -19.542 -4.083) 29.393 10.071 ( 6.037 10.112 -2.645) 12.071 10.222 ( -5.423 3.982 -9.341) 11.511 10.395 ( 0.120 10.685 -8.592) 13.712 10.531 ( 2.328 3.923 -4.649) 6.514 10.738 ( 2.238 -6.654 -4.255) 8.209 10.928 ( -6.823 -20.400 -19.084) 28.756 11.492 ( 2.962 0.856 -0.360) 3.104 11.556 ( 2.799 -6.244 -3.484) 7.678 12.292 ( 2.464 14.968 0.004) 15.169 12.523 ( 0.565 -7.398 -6.761) 10.038 12.788 ( -2.097 5.784 0.072) 6.152 12.810 ( 2.310 6.602 -3.212) 7.696 13.098 ( -11.506 -1.262 -2.887) 11.929 13.123 ( -9.744 0.150 -3.983) 10.527 13.436 ( 2.427 2.839 4.388) 5.762 13.566 ( -9.497 -1.902 -4.174) 10.547 13.905 ( -3.593 0.547 1.500) 3.932 14.017 ( -8.433 -8.520 -10.232) 15.761 14.366 ( -1.964 18.125 -7.762) 19.814 14.596 ( 4.659 1.442 -1.780) 5.192 14.929 ( 0.733 -14.707 -4.805) 15.489 14.954 ( 6.903 -7.887 4.198) 11.290 16.023 ( 14.174 30.288 -2.738) 33.552 16.491 ( 19.868 -14.435 3.991) 24.880 17.106 ( -14.794 17.360 -12.611) 26.063 17.174 ( 19.939 7.710 19.311) 28.809 17.209 ( 7.246 15.270 18.757) 25.249 17.601 ( -5.448 -17.841 3.198) 18.926 17.691 ( 12.436 -13.985 14.036) 23.393 17.755 ( 6.461 -13.535 7.255) 16.661 17.802 ( -4.374 -8.443 7.789) 12.292 17.853 ( -2.046 -9.824 10.792) 14.737 19.062 ( -15.429 5.922 7.349) 18.086 19.180 ( -15.369 -6.236 7.307) 18.124 21.552 ( 4.051 4.671 -7.719) 9.890 21.596 ( -0.018 0.445 -11.239) 11.248 21.864 ( -5.612 8.834 -9.498) 14.133 21.985 ( -6.492 -3.821 -8.633) 11.458 ======================= Grid point 157 (60/100) ======================= q-point: ( 0.44 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 5.061 7.739 0.357) 9.254 2.768 ( 1.810 2.140 1.552) 3.204 2.877 ( -1.151 -3.019 -0.162) 3.235 2.911 ( -4.989 -4.737 -3.627) 7.777 3.289 ( 11.846 -1.065 -0.115) 11.895 3.303 ( 9.718 -1.988 -4.088) 10.729 3.489 ( -7.843 -0.405 -0.371) 7.863 3.522 ( -9.219 -2.686 -0.664) 9.626 3.983 ( -0.617 3.534 -0.967) 3.715 4.032 ( -4.824 2.451 -2.697) 6.046 4.070 ( -0.073 -5.120 -0.674) 5.164 4.116 ( -4.044 -6.101 0.627) 7.347 7.451 ( 10.718 12.907 11.900) 20.569 7.602 ( -0.366 6.052 10.685) 12.285 7.708 ( 2.329 -4.695 13.668) 14.638 7.818 ( -6.014 -8.086 13.717) 17.021 8.088 ( 11.274 6.966 13.678) 19.045 8.199 ( 3.596 0.742 17.873) 18.246 8.252 ( 6.324 -4.886 20.483) 21.987 8.353 ( -0.073 -8.564 22.161) 23.758 9.395 ( 17.944 21.134 -10.964) 29.814 9.740 ( 0.226 6.126 -12.269) 13.715 9.828 ( -0.374 1.029 -14.448) 14.490 10.134 ( -11.986 -9.562 -7.162) 16.923 10.494 ( 8.865 5.129 -5.960) 11.850 10.611 ( 2.411 0.242 -3.790) 4.498 10.749 ( -1.914 -12.650 -9.763) 16.094 10.813 ( -5.183 -12.585 -7.100) 15.351 11.741 ( 21.004 4.063 -2.071) 21.494 11.814 ( 20.856 -4.128 -4.820) 21.800 12.208 ( -16.942 7.852 0.208) 18.674 12.324 ( -22.345 -4.426 -4.546) 23.229 12.693 ( 2.273 13.016 -2.026) 13.367 12.813 ( -5.676 13.779 1.963) 15.031 12.907 ( 5.024 -7.135 -6.106) 10.650 13.062 ( -5.173 -11.027 -6.492) 13.802 13.443 ( 1.727 13.050 -7.015) 14.916 13.498 ( 1.105 5.712 -0.509) 5.840 13.794 ( -5.145 -10.215 0.373) 11.444 13.817 ( -7.721 -13.863 -5.883) 16.923 14.469 ( 8.489 24.725 -3.583) 26.386 14.620 ( -4.114 18.420 -1.401) 18.926 14.988 ( 4.656 -24.583 -0.764) 25.032 15.044 ( 0.578 -19.632 3.567) 19.962 16.326 ( 14.740 34.095 -9.373) 38.310 16.620 ( -10.713 28.271 -11.708) 32.421 17.017 ( 9.466 -30.525 -4.570) 32.284 17.235 ( -8.571 -24.798 -3.004) 26.409 17.375 ( 7.058 16.653 15.664) 23.927 17.537 ( -7.415 10.882 9.828) 16.431 17.736 ( 5.991 -17.261 17.260) 25.134 17.814 ( -2.053 -16.035 16.396) 23.026 18.049 ( 24.100 3.866 20.396) 31.808 18.187 ( 25.141 -10.088 19.511) 33.384 18.613 ( -25.894 6.012 17.057) 31.584 18.738 ( -25.233 -6.875 16.351) 30.844 21.642 ( 4.118 4.639 -15.595) 16.784 21.679 ( 7.110 0.567 -12.985) 14.815 21.746 ( -5.434 7.275 -14.152) 16.815 21.837 ( -7.451 -2.282 -12.392) 14.639 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.000 0.000 23.564) 23.564 2.419 ( 0.000 0.000 25.951) 25.951 2.775 ( 0.000 0.000 0.362) 0.362 2.869 ( 0.000 0.000 -2.664) 2.664 3.084 ( 0.000 0.000 1.576) 1.576 3.404 ( 0.000 0.000 10.486) 10.486 3.749 ( 0.000 0.000 -3.189) 3.189 3.858 ( 0.000 0.000 -5.275) 5.275 4.075 ( 0.000 0.000 0.308) 0.308 4.178 ( 0.000 0.000 -4.701) 4.701 4.388 ( 0.000 0.000 -13.722) 13.722 4.411 ( 0.000 0.000 -1.084) 1.084 6.506 ( 0.000 0.000 14.081) 14.081 6.732 ( 0.000 0.000 16.905) 16.905 6.737 ( 0.000 0.000 20.699) 20.699 6.886 ( 0.000 0.000 22.510) 22.510 7.025 ( 0.000 0.000 5.090) 5.090 7.890 ( 0.000 0.000 5.953) 5.953 8.215 ( 0.000 0.000 12.267) 12.267 8.566 ( 0.000 0.000 -19.327) 19.327 8.981 ( 0.000 0.000 -14.211) 14.211 9.028 ( 0.000 0.000 -19.774) 19.774 9.205 ( 0.000 0.000 -9.708) 9.708 9.373 ( 0.000 0.000 31.406) 31.406 10.313 ( 0.000 0.000 8.774) 8.774 10.566 ( 0.000 0.000 -13.858) 13.858 10.763 ( 0.000 0.000 15.433) 15.433 10.879 ( 0.000 0.000 -13.250) 13.250 11.168 ( 0.000 0.000 -22.510) 22.510 12.362 ( 0.000 0.000 9.927) 9.927 12.441 ( 0.000 0.000 21.191) 21.191 12.533 ( 0.000 0.000 -13.867) 13.867 12.939 ( 0.000 0.000 5.798) 5.798 12.953 ( 0.000 0.000 11.926) 11.926 13.021 ( 0.000 0.000 7.022) 7.022 13.039 ( 0.000 0.000 -25.834) 25.834 13.559 ( 0.000 0.000 7.774) 7.774 13.745 ( 0.000 0.000 19.686) 19.686 13.872 ( 0.000 0.000 -12.239) 12.239 14.080 ( 0.000 0.000 -7.716) 7.716 14.183 ( 0.000 0.000 -5.729) 5.729 14.289 ( 0.000 0.000 -19.213) 19.213 14.898 ( 0.000 0.000 -8.272) 8.272 15.180 ( 0.000 0.000 -19.095) 19.095 15.189 ( 0.000 0.000 18.832) 18.832 15.944 ( 0.000 0.000 32.143) 32.143 16.196 ( 0.000 0.000 34.439) 34.439 16.865 ( 0.000 0.000 27.260) 27.260 17.015 ( 0.000 0.000 -36.049) 36.049 18.008 ( 0.000 0.000 14.727) 14.727 18.014 ( 0.000 0.000 -26.331) 26.331 18.292 ( 0.000 0.000 -26.848) 26.848 18.406 ( 0.000 0.000 -18.039) 18.039 18.510 ( 0.000 0.000 -1.837) 1.837 18.844 ( 0.000 0.000 5.253) 5.253 19.179 ( 0.000 0.000 -4.495) 4.495 21.584 ( 0.000 0.000 21.233) 21.233 21.650 ( 0.000 0.000 6.778) 6.778 22.086 ( 0.000 0.000 -5.756) 5.756 22.248 ( 0.000 0.000 -1.997) 1.997 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 3.160 0.000 22.100) 22.325 2.502 ( 7.578 0.000 23.508) 24.699 2.740 ( 0.817 0.000 -6.664) 6.714 3.013 ( 6.305 0.000 1.041) 6.390 3.111 ( 2.429 0.000 1.834) 3.043 3.461 ( 4.503 0.000 8.805) 9.890 3.640 ( -5.631 0.000 0.032) 5.631 3.763 ( -6.512 0.000 -12.669) 14.244 4.132 ( -3.355 0.000 -3.706) 4.999 4.132 ( 1.850 0.000 2.698) 3.271 4.340 ( -4.597 0.000 -13.510) 14.271 4.437 ( 2.289 0.000 -0.074) 2.290 6.497 ( 1.112 0.000 17.410) 17.445 6.776 ( 4.425 0.000 16.816) 17.389 6.876 ( 2.690 0.000 13.982) 14.239 6.983 ( 21.057 0.000 20.795) 29.595 7.305 ( 21.795 0.000 12.003) 24.882 8.130 ( 22.095 0.000 4.458) 22.541 8.390 ( 1.754 0.000 -0.129) 1.759 8.435 ( 3.093 0.000 -9.665) 10.148 8.989 ( -3.685 0.000 -20.860) 21.183 9.216 ( 1.506 0.000 -2.566) 2.975 9.278 ( 22.453 0.000 -20.867) 30.652 9.346 ( -1.990 0.000 35.483) 35.539 10.380 ( 6.905 0.000 9.072) 11.401 10.616 ( -7.352 0.000 6.635) 9.903 10.676 ( 10.069 0.000 -14.475) 17.633 11.012 ( 6.217 0.000 -7.389) 9.657 11.189 ( 2.133 0.000 -19.982) 20.095 12.275 ( -16.008 0.000 20.963) 26.376 12.347 ( -3.025 0.000 8.647) 9.161 12.434 ( -8.852 0.000 -19.727) 21.622 12.604 ( -14.865 0.000 11.109) 18.557 12.853 ( -11.922 0.000 7.026) 13.838 12.972 ( -4.769 0.000 -18.356) 18.965 13.063 ( -3.236 0.000 4.941) 5.907 13.601 ( -2.054 0.000 -2.959) 3.602 13.700 ( -10.525 0.000 -17.029) 20.020 13.916 ( -1.476 0.000 -2.546) 2.943 14.038 ( 21.533 0.000 22.670) 31.267 14.262 ( 1.189 0.000 -8.903) 8.982 14.462 ( 6.856 0.000 -13.068) 14.757 14.942 ( -12.376 0.000 16.340) 20.497 15.076 ( -3.004 0.000 -14.429) 14.738 15.160 ( 14.467 0.000 -5.542) 15.493 16.245 ( 23.662 0.000 32.591) 40.274 16.268 ( 5.810 0.000 32.659) 33.171 16.707 ( -23.565 0.000 -33.409) 40.884 16.879 ( 2.923 0.000 27.455) 27.610 18.091 ( -6.622 0.000 -11.851) 13.575 18.173 ( 9.645 0.000 9.962) 13.866 18.285 ( 19.759 0.000 -26.247) 32.853 18.305 ( -3.825 0.000 -11.599) 12.213 18.859 ( 1.461 0.000 5.084) 5.289 18.909 ( 22.817 0.000 -15.287) 27.465 19.179 ( 0.022 0.000 -4.167) 4.167 21.526 ( -5.213 0.000 19.785) 20.460 21.556 ( -8.755 0.000 4.439) 9.817 21.886 ( -17.986 0.000 -4.414) 18.519 22.194 ( -5.080 0.000 -3.038) 5.919 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 0.934 0.000 15.795) 15.823 2.714 ( 11.838 0.000 17.794) 21.372 2.810 ( 4.639 0.000 -10.265) 11.264 3.014 ( -5.094 0.000 1.468) 5.301 3.178 ( 3.635 0.000 2.615) 4.478 3.384 ( -8.048 0.000 -2.772) 8.512 3.609 ( -4.052 0.000 -5.350) 6.711 3.790 ( 8.053 0.000 -9.003) 12.079 4.017 ( -6.330 0.000 -5.013) 8.075 4.195 ( 5.962 0.000 11.416) 12.879 4.200 ( -8.372 0.000 -12.378) 14.943 4.500 ( 3.439 0.000 1.604) 3.795 6.607 ( 9.638 0.000 17.659) 20.118 6.894 ( 6.775 0.000 15.231) 16.670 7.017 ( 10.223 0.000 9.382) 13.876 7.501 ( 24.027 0.000 15.928) 28.827 7.829 ( 24.130 0.000 8.590) 25.613 8.277 ( -0.667 0.000 -4.756) 4.803 8.603 ( 0.198 0.000 -10.900) 10.902 8.701 ( 22.207 0.000 -0.186) 22.208 8.938 ( 7.424 0.000 -6.909) 10.142 9.253 ( 4.445 0.000 15.402) 16.031 9.331 ( 2.189 0.000 35.952) 36.018 9.852 ( 29.476 0.000 -21.962) 36.759 10.520 ( -1.558 0.000 2.358) 2.826 10.596 ( 12.268 0.000 8.319) 14.823 10.949 ( 14.116 0.000 -11.665) 18.312 11.081 ( 0.203 0.000 -9.628) 9.630 11.263 ( 5.220 0.000 -16.943) 17.729 11.888 ( -17.043 0.000 17.724) 24.588 11.999 ( -25.172 0.000 -24.816) 35.347 12.290 ( -15.204 0.000 9.311) 17.828 12.390 ( 1.151 0.000 4.067) 4.227 12.619 ( -9.517 0.000 3.592) 10.173 12.901 ( -1.823 0.000 -5.625) 5.913 12.968 ( -4.430 0.000 1.321) 4.623 13.420 ( -11.267 0.000 -7.266) 13.407 13.501 ( -8.492 0.000 -19.737) 21.486 13.816 ( -13.604 0.000 -18.502) 22.966 14.164 ( -20.005 0.000 -12.765) 23.731 14.523 ( 18.948 0.000 19.424) 27.135 14.544 ( 17.221 0.000 9.321) 19.582 14.685 ( -5.096 0.000 16.125) 16.911 15.331 ( 21.963 0.000 -8.431) 23.525 15.489 ( 13.266 0.000 -2.847) 13.569 16.173 ( -25.631 0.000 -29.160) 38.823 16.329 ( -1.825 0.000 29.159) 29.217 16.823 ( 30.333 0.000 32.268) 44.287 17.100 ( 19.540 0.000 26.052) 32.565 17.958 ( -11.469 0.000 -17.663) 21.060 18.151 ( 2.576 0.000 0.837) 2.709 18.540 ( 15.357 0.000 15.691) 21.956 18.669 ( 14.061 0.000 -20.423) 24.795 18.907 ( 3.382 0.000 4.642) 5.743 19.182 ( 0.327 0.000 -3.277) 3.293 19.329 ( 15.506 0.000 -13.695) 20.688 21.300 ( -15.321 0.000 -2.328) 15.497 21.389 ( -6.943 0.000 14.443) 16.025 21.403 ( -25.544 0.000 -5.341) 26.097 22.041 ( -9.278 0.000 -5.864) 10.976 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 3.994 0.000 6.753) 7.846 2.818 ( -8.841 0.000 -9.778) 13.182 2.934 ( 2.698 0.000 -4.980) 5.664 2.964 ( 11.160 0.000 11.981) 16.373 3.228 ( -6.509 0.000 -6.310) 9.066 3.246 ( 2.340 0.000 3.921) 4.566 3.560 ( 0.167 0.000 -1.125) 1.138 3.828 ( -2.866 0.000 -7.653) 8.172 3.889 ( -5.183 0.000 -5.742) 7.735 4.014 ( -8.618 0.000 -10.502) 13.586 4.396 ( 10.021 0.000 10.153) 14.265 4.566 ( 2.550 0.000 3.134) 4.040 6.896 ( 17.432 0.000 11.694) 20.991 7.067 ( 9.916 0.000 10.208) 14.231 7.271 ( 12.839 0.000 6.258) 14.283 7.783 ( 0.086 0.000 -1.266) 1.269 8.013 ( -2.708 0.000 -10.788) 11.123 8.404 ( -16.523 0.000 -19.361) 25.453 8.618 ( 27.328 0.000 24.025) 36.387 8.889 ( 11.150 0.000 17.183) 20.483 9.259 ( 5.489 0.000 34.287) 34.723 9.422 ( 9.148 0.000 28.301) 29.742 9.686 ( 32.573 0.000 2.489) 32.668 10.380 ( 16.589 0.000 -14.252) 21.871 10.549 ( 4.188 0.000 -3.196) 5.268 10.824 ( 7.424 0.000 7.415) 10.493 11.026 ( -5.240 0.000 -10.410) 11.654 11.141 ( 5.093 0.000 4.588) 6.855 11.430 ( -27.193 0.000 -24.814) 36.813 11.450 ( 11.997 0.000 -23.116) 26.044 11.714 ( 2.994 0.000 5.471) 6.236 12.021 ( -8.834 0.000 0.720) 8.863 12.404 ( -1.187 0.000 0.076) 1.189 12.475 ( -3.456 0.000 -0.131) 3.459 12.835 ( -9.896 0.000 -4.404) 10.832 12.884 ( 0.399 0.000 -1.760) 1.805 13.200 ( -14.589 0.000 -11.471) 18.559 13.314 ( -9.732 0.000 -13.740) 16.838 13.351 ( -19.814 0.000 -8.507) 21.563 13.805 ( -13.777 0.000 -18.212) 22.836 14.536 ( 1.118 0.000 0.445) 1.203 14.969 ( 21.006 0.000 17.187) 27.141 15.029 ( 17.696 0.000 18.134) 25.337 15.580 ( -12.245 0.000 -12.965) 17.833 15.764 ( -4.175 0.000 -3.869) 5.693 15.776 ( 14.661 0.000 -3.854) 15.159 16.261 ( 0.816 0.000 21.036) 21.052 17.486 ( 31.990 0.000 28.759) 43.017 17.489 ( -5.836 0.000 -2.949) 6.539 17.782 ( 17.866 0.000 10.809) 20.882 18.344 ( 13.337 0.000 9.624) 16.447 18.791 ( 7.330 0.000 19.297) 20.643 18.794 ( -1.786 0.000 -6.041) 6.300 19.007 ( 4.769 0.000 2.883) 5.573 19.189 ( -0.256 0.000 -0.959) 0.992 19.485 ( -2.914 0.000 0.049) 2.914 20.871 ( -19.683 0.000 -15.387) 24.983 20.996 ( -15.066 0.000 -13.776) 20.415 21.286 ( -1.595 0.000 3.591) 3.930 21.816 ( -11.859 0.000 -9.402) 15.134 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 9.385 0.000 -1.735) 9.544 2.580 ( -12.181 0.000 -7.252) 14.177 3.012 ( 4.126 0.000 -8.233) 9.209 3.108 ( -5.045 0.000 -7.915) 9.386 3.159 ( 7.093 0.000 7.970) 10.669 3.254 ( -1.931 0.000 5.646) 5.967 3.618 ( 4.799 0.000 -0.063) 4.799 3.733 ( -5.552 0.000 -3.168) 6.393 3.823 ( -0.697 0.000 -7.016) 7.051 3.867 ( -4.830 0.000 -8.610) 9.872 4.547 ( 4.390 0.000 6.707) 8.016 4.593 ( -0.238 0.000 4.790) 4.796 7.298 ( 18.921 0.000 4.300) 19.403 7.313 ( 13.318 0.000 2.679) 13.585 7.487 ( 4.561 0.000 4.080) 6.120 7.604 ( -13.386 0.000 -4.410) 14.094 7.924 ( -3.923 0.000 -8.423) 9.292 8.021 ( -15.919 0.000 -12.994) 20.549 9.162 ( 11.299 0.000 33.242) 35.110 9.168 ( 22.759 0.000 25.457) 34.147 9.297 ( -1.675 0.000 36.382) 36.421 9.489 ( -5.831 0.000 28.224) 28.820 10.342 ( 27.502 0.000 -6.338) 28.223 10.564 ( 6.765 0.000 5.378) 8.643 10.692 ( 9.272 0.000 -8.179) 12.364 10.759 ( -10.105 0.000 12.912) 16.396 10.834 ( -17.172 0.000 -13.476) 21.828 10.930 ( -16.161 0.000 -13.868) 21.296 11.428 ( 17.035 0.000 -7.939) 18.794 11.630 ( 0.207 0.000 -20.578) 20.579 11.864 ( 10.220 0.000 -2.849) 10.610 12.007 ( 4.785 0.000 -8.446) 9.707 12.376 ( 0.410 0.000 -6.321) 6.334 12.423 ( -2.980 0.000 -4.979) 5.803 12.569 ( -12.051 0.000 -7.276) 14.077 12.668 ( -21.781 0.000 -11.399) 24.584 12.941 ( 5.347 0.000 -0.194) 5.350 13.103 ( -9.610 0.000 -3.809) 10.338 13.325 ( 7.031 0.000 -7.982) 10.637 13.535 ( -12.003 0.000 -14.705) 18.982 14.689 ( 12.825 0.000 -11.781) 17.415 15.023 ( -16.560 0.000 -16.237) 23.192 15.391 ( 18.757 0.000 19.082) 26.758 15.529 ( 10.659 0.000 14.397) 17.914 15.716 ( -5.359 0.000 11.605) 12.782 15.736 ( -13.000 0.000 17.280) 21.624 16.574 ( 23.463 0.000 -4.472) 23.885 17.081 ( -23.591 0.000 -10.988) 26.025 18.127 ( 27.981 0.000 21.159) 35.081 18.435 ( 32.630 0.000 20.456) 38.512 18.606 ( -16.416 0.000 8.126) 18.317 18.653 ( 15.806 0.000 16.906) 23.144 18.813 ( -5.662 0.000 21.508) 22.241 19.086 ( 3.276 0.000 3.607) 4.872 19.152 ( -2.884 0.000 2.672) 3.932 19.159 ( -26.183 0.000 16.139) 30.757 20.648 ( -1.768 0.000 -27.697) 27.753 20.735 ( -9.004 0.000 -24.492) 26.094 21.349 ( 7.356 0.000 -7.584) 10.565 21.561 ( -11.868 0.000 -11.300) 16.387 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.000 7.747 21.099) 22.476 2.346 ( 0.000 -4.863 24.027) 24.514 2.835 ( 0.000 -3.169 -2.248) 3.885 2.843 ( 0.000 4.451 2.766) 5.240 3.150 ( 0.000 6.201 1.360) 6.348 3.439 ( 0.000 3.489 5.888) 6.844 3.760 ( 0.000 0.277 -8.068) 8.073 3.829 ( 0.000 -2.845 -5.473) 6.168 3.928 ( 0.000 -8.096 3.226) 8.715 4.265 ( 0.000 3.125 -4.649) 5.602 4.309 ( 0.000 -5.897 -8.461) 10.313 4.405 ( 0.000 -2.401 -7.505) 7.880 6.527 ( 0.000 2.274 12.932) 13.130 6.720 ( 0.000 0.337 19.680) 19.682 6.784 ( 0.000 4.068 10.076) 10.866 7.042 ( 0.000 13.728 21.119) 25.189 7.063 ( 0.000 3.764 9.031) 9.784 7.773 ( 0.000 -8.594 4.902) 9.893 8.199 ( 0.000 -1.568 17.307) 17.378 8.697 ( 0.000 11.820 -17.797) 21.365 8.759 ( 0.000 -12.508 -16.386) 20.614 9.077 ( 0.000 -12.247 -6.284) 13.765 9.258 ( 0.000 1.131 27.041) 27.065 9.285 ( 0.000 2.548 -14.222) 14.448 10.292 ( 0.000 -1.430 6.382) 6.540 10.527 ( 0.000 -4.904 -3.708) 6.148 10.813 ( 0.000 5.911 9.218) 10.950 10.992 ( 0.000 10.148 -11.297) 15.186 11.218 ( 0.000 6.778 -20.652) 21.736 12.347 ( 0.000 -7.315 17.818) 19.261 12.528 ( 0.000 14.664 9.120) 17.269 12.546 ( 0.000 -2.392 -18.398) 18.552 12.875 ( 0.000 -7.431 9.717) 12.233 12.930 ( 0.000 1.150 1.123) 1.607 13.070 ( 0.000 4.754 11.318) 12.276 13.184 ( 0.000 11.939 -20.843) 24.020 13.404 ( 0.000 -8.309 11.098) 13.864 13.541 ( 0.000 -21.782 -8.593) 23.416 13.926 ( 0.000 10.197 13.526) 16.939 14.017 ( 0.000 -13.222 -3.442) 13.663 14.273 ( 0.000 0.939 -16.087) 16.114 14.366 ( 0.000 15.864 -12.067) 19.932 14.828 ( 0.000 -6.959 -10.462) 12.565 15.243 ( 0.000 2.562 -12.125) 12.393 15.379 ( 0.000 19.850 13.506) 24.009 15.956 ( 0.000 1.305 32.456) 32.482 16.196 ( 0.000 0.239 33.909) 33.910 16.876 ( 0.000 1.549 26.231) 26.277 17.080 ( 0.000 6.386 -33.405) 34.010 17.934 ( 0.000 -7.536 14.497) 16.339 18.031 ( 0.000 1.724 -26.161) 26.218 18.276 ( 0.000 -1.693 -26.468) 26.522 18.375 ( 0.000 -3.352 -18.137) 18.444 18.451 ( 0.000 -6.080 -0.090) 6.081 18.642 ( 0.000 -19.337 6.014) 20.251 19.018 ( 0.000 -15.218 -6.814) 16.674 21.633 ( 0.000 5.068 19.521) 20.168 21.751 ( 0.000 9.340 6.248) 11.238 22.104 ( 0.000 1.335 -4.157) 4.366 22.257 ( 0.000 0.780 -1.762) 1.927 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 2.665 6.604 19.715) 20.961 2.458 ( 9.597 -2.659 20.510) 22.800 2.757 ( -0.538 0.400 -3.249) 3.318 2.971 ( 3.490 -2.435 1.655) 4.566 3.179 ( 2.079 4.512 2.633) 5.622 3.486 ( 3.891 2.406 4.652) 6.524 3.653 ( -7.685 0.132 -0.696) 7.718 3.727 ( -3.485 -1.958 -14.790) 15.321 3.999 ( 1.482 -5.877 1.932) 6.361 4.228 ( -2.963 1.796 -3.102) 4.651 4.289 ( -2.858 -4.127 -10.935) 12.032 4.405 ( 0.835 -3.374 -3.404) 4.865 6.546 ( 3.090 5.017 16.267) 17.302 6.840 ( 5.169 5.407 10.374) 12.789 6.910 ( 13.814 3.827 17.087) 22.303 7.097 ( 11.126 11.144 17.898) 23.840 7.338 ( 20.671 3.630 13.783) 25.109 7.954 ( 15.517 -12.388 1.596) 19.919 8.344 ( 9.118 -4.227 8.461) 13.137 8.564 ( 0.545 6.989 -8.778) 11.234 8.914 ( -1.797 -6.405 -8.659) 10.919 9.117 ( 10.703 -8.253 -8.883) 16.173 9.302 ( 4.167 -6.173 25.941) 26.989 9.391 ( 9.440 11.539 -15.807) 21.729 10.319 ( 2.691 -3.895 7.139) 8.566 10.621 ( 6.904 -6.681 -5.878) 11.263 10.719 ( -9.366 6.998 -1.701) 11.815 10.902 ( 2.175 -0.923 -5.530) 6.014 11.403 ( 9.664 14.445 -15.830) 23.509 12.198 ( -13.391 -5.196 15.883) 21.414 12.408 ( -12.443 -1.678 -14.742) 19.364 12.540 ( -8.842 7.259 0.055) 11.440 12.546 ( -7.635 0.401 8.023) 11.083 12.871 ( -13.392 2.238 9.077) 16.332 13.079 ( -3.780 10.127 -9.498) 14.390 13.102 ( -3.577 2.246 3.174) 5.283 13.479 ( 3.117 -3.919 -5.842) 7.694 13.574 ( 8.076 -15.980 1.011) 17.934 13.891 ( -12.414 0.968 -7.685) 14.633 14.090 ( 4.103 -0.439 -5.044) 6.517 14.366 ( 5.978 0.475 -5.988) 8.474 14.396 ( 14.136 3.999 2.377) 14.882 14.857 ( -6.202 -7.901 -13.306) 16.672 15.137 ( -9.199 10.822 15.119) 20.744 15.323 ( 6.113 9.262 -7.061) 13.153 16.207 ( 14.470 -0.558 31.986) 35.111 16.346 ( 17.360 5.075 31.461) 36.290 16.784 ( -20.951 7.555 -26.650) 34.731 16.905 ( 1.996 3.443 21.574) 21.938 18.045 ( -1.342 -5.473 -8.167) 9.922 18.110 ( 4.125 -5.053 4.028) 7.666 18.209 ( 3.429 -5.797 -11.330) 13.181 18.371 ( 11.873 4.030 -23.834) 26.931 18.652 ( 1.217 -19.969 6.066) 20.906 18.800 ( 15.799 -12.893 -8.906) 22.252 19.058 ( 5.830 -9.419 -10.425) 15.211 21.571 ( -5.639 4.799 17.728) 19.213 21.664 ( -8.021 9.849 4.409) 13.445 21.923 ( -16.369 3.015 -3.333) 16.975 22.203 ( -5.113 0.732 -2.840) 5.894 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 1.088 6.593 13.430) 15.001 2.697 ( 12.287 -0.941 15.008) 19.419 2.805 ( 4.166 -0.816 -6.431) 7.706 2.966 ( -3.069 -3.448 0.565) 4.650 3.178 ( -2.552 -1.126 2.965) 4.070 3.451 ( -5.412 5.837 -2.831) 8.449 3.556 ( -2.484 -5.006 -4.564) 7.215 3.792 ( 5.494 0.471 -10.296) 11.680 3.973 ( -2.837 -3.719 -1.329) 4.862 4.156 ( -6.043 -3.485 -8.967) 11.362 4.215 ( 0.458 0.482 2.722) 2.802 4.447 ( 2.644 -4.983 0.156) 5.643 6.687 ( 10.366 8.265 17.631) 22.059 6.989 ( 8.821 8.949 10.602) 16.441 7.142 ( 10.270 12.762 11.688) 20.124 7.510 ( 21.394 0.821 14.687) 25.963 7.834 ( 22.735 0.916 8.393) 24.252 8.224 ( 9.076 -5.404 0.800) 10.593 8.489 ( 3.203 -5.771 -7.015) 9.632 8.789 ( 18.727 0.607 7.773) 20.286 8.919 ( 5.834 -4.808 4.599) 8.849 9.305 ( 4.008 9.312 -2.696) 10.490 9.348 ( 5.041 1.661 27.977) 28.476 9.765 ( 22.157 -6.952 -17.663) 29.177 10.393 ( 3.985 -7.184 3.289) 8.849 10.532 ( -1.564 -11.389 -3.321) 11.966 10.888 ( 13.063 -6.785 -12.430) 19.266 11.011 ( 6.899 4.033 0.083) 7.991 11.527 ( 1.531 13.491 -10.713) 17.295 11.894 ( -12.899 2.159 7.677) 15.165 11.964 ( -24.598 -4.956 -19.222) 31.609 12.277 ( -12.782 0.523 5.607) 13.968 12.531 ( 0.445 12.637 5.636) 13.844 12.613 ( -10.228 0.565 3.738) 10.904 12.992 ( -2.647 0.282 -1.637) 3.125 13.020 ( -3.943 11.854 -2.408) 12.723 13.423 ( -7.614 5.547 -8.517) 12.700 13.566 ( -12.457 2.981 -15.444) 20.065 13.732 ( -4.729 -9.036 -13.676) 17.060 14.109 ( -11.399 -3.915 -3.457) 12.539 14.296 ( 2.785 -9.282 -3.755) 10.393 14.777 ( 10.954 7.840 11.488) 17.704 14.851 ( 9.272 11.062 15.527) 21.199 15.071 ( 10.889 -10.052 -2.111) 14.969 15.536 ( 9.258 -4.440 0.086) 10.268 16.250 ( -22.011 8.444 -22.449) 32.553 16.470 ( 5.232 12.908 19.360) 23.850 16.874 ( 29.085 5.080 31.796) 43.390 17.088 ( 16.876 -0.669 23.932) 29.291 17.914 ( -10.921 -4.071 -16.745) 20.402 18.103 ( 1.889 -4.851 -0.163) 5.209 18.461 ( 15.272 -8.194 15.280) 23.105 18.665 ( 5.279 -10.764 -7.235) 14.003 18.718 ( 9.580 -9.460 -5.683) 14.614 18.957 ( 3.163 -18.864 -3.216) 19.396 19.311 ( 13.079 -2.907 -13.661) 19.135 21.401 ( -12.376 7.441 3.108) 14.772 21.449 ( -9.861 7.599 7.479) 14.524 21.487 ( -22.441 7.392 -4.818) 24.113 22.049 ( -9.281 0.660 -5.767) 10.947 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 3.743 6.671 5.528) 9.437 2.819 ( -7.231 0.114 -6.076) 9.446 2.894 ( 3.815 -2.507 -2.206) 5.070 2.976 ( 9.904 0.120 5.287) 11.228 3.108 ( -3.153 -5.948 -0.801) 6.779 3.360 ( -2.937 4.275 -0.783) 5.246 3.544 ( 1.261 -1.093 -1.032) 1.962 3.779 ( -4.471 -3.373 -4.701) 7.312 3.912 ( -3.356 0.573 -6.868) 7.665 3.995 ( -7.674 -1.471 -10.551) 13.130 4.333 ( 7.455 -5.805 8.127) 12.463 4.496 ( 1.656 -6.577 2.161) 7.119 6.961 ( 14.665 7.485 13.640) 21.381 7.217 ( 13.306 12.755 7.113) 19.757 7.370 ( 10.757 11.517 7.659) 17.522 7.768 ( 2.280 -0.968 -0.240) 2.489 8.049 ( -1.588 2.937 -9.623) 10.186 8.444 ( -4.114 1.415 3.417) 5.532 8.615 ( 22.246 1.997 9.275) 24.185 9.011 ( 4.576 9.446 9.375) 14.073 9.138 ( 10.481 -11.027 29.808) 33.466 9.360 ( 6.285 -5.168 26.818) 28.026 9.742 ( 26.629 6.297 7.067) 28.262 10.105 ( 9.113 -21.588 -13.244) 26.917 10.492 ( 4.830 -8.659 1.364) 10.008 10.664 ( 10.604 -8.868 -9.606) 16.833 11.093 ( 0.258 -2.688 -10.964) 11.291 11.121 ( 6.997 -2.123 6.033) 9.480 11.397 ( -20.258 -0.147 -19.140) 27.870 11.571 ( 1.049 4.337 -13.755) 14.461 11.806 ( 3.483 9.399 4.343) 10.923 12.053 ( -7.349 6.448 -3.742) 10.468 12.447 ( -5.439 1.695 -0.992) 5.782 12.543 ( -0.415 9.245 1.565) 9.385 12.883 ( -9.754 6.597 -2.482) 12.034 12.962 ( -4.405 3.880 -9.258) 10.962 13.200 ( -7.512 -2.272 -2.454) 8.223 13.326 ( -16.707 7.448 -12.480) 22.144 13.458 ( -11.468 9.842 -12.230) 19.441 13.745 ( -14.641 -4.338 -16.919) 22.791 14.633 ( 19.415 -19.013 15.114) 31.094 14.776 ( 1.996 20.526 1.713) 20.694 15.252 ( 17.460 2.126 16.338) 24.006 15.348 ( 7.902 -15.974 3.026) 18.077 15.674 ( 5.072 -12.434 3.183) 13.800 15.771 ( -20.221 10.572 -21.188) 31.138 16.586 ( 6.236 24.316 15.317) 29.408 17.481 ( 8.457 -0.391 7.922) 11.594 17.522 ( 21.952 2.897 21.339) 30.751 17.701 ( 11.713 -7.832 6.770) 15.633 18.259 ( 11.045 -8.975 7.002) 15.861 18.672 ( 1.781 -12.612 11.430) 17.114 18.750 ( 5.516 -8.615 7.116) 12.461 18.848 ( 3.065 -15.204 1.243) 15.559 19.013 ( 0.138 -9.794 -0.958) 9.842 19.450 ( -1.799 -3.606 -0.962) 4.143 21.007 ( -17.479 11.839 -13.759) 25.199 21.136 ( -13.890 12.725 -12.729) 22.735 21.321 ( -2.252 3.434 2.594) 4.857 21.825 ( -11.739 0.745 -9.451) 15.089 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 8.445 5.481 -1.687) 10.208 2.611 ( -10.910 3.111 -6.379) 13.015 2.967 ( 3.377 -3.681 -4.402) 6.658 3.038 ( -3.249 -5.325 -2.771) 6.826 3.179 ( 7.888 1.292 2.051) 8.252 3.302 ( -3.751 2.930 0.345) 4.772 3.600 ( 3.728 -2.225 0.889) 4.432 3.684 ( -4.186 -4.180 -2.125) 6.286 3.847 ( -1.784 1.227 -6.146) 6.516 3.869 ( -3.880 0.994 -7.692) 8.672 4.455 ( 3.982 -8.690 5.786) 11.173 4.506 ( -0.906 -8.265 4.019) 9.235 7.259 ( 13.098 3.619 7.194) 15.375 7.452 ( -0.802 2.182 3.243) 3.990 7.595 ( 14.939 18.805 1.436) 24.060 7.742 ( -0.393 8.824 -1.199) 8.914 7.967 ( -2.699 4.412 -6.825) 8.563 8.154 ( -18.375 13.975 -9.750) 25.060 9.068 ( 17.134 -6.765 19.451) 26.789 9.194 ( 7.837 -1.439 29.866) 30.910 9.264 ( 3.156 -5.042 34.902) 35.405 9.408 ( -4.343 -7.253 27.355) 28.632 10.231 ( 14.641 -11.121 -3.334) 18.685 10.263 ( 7.680 -14.757 -2.198) 16.780 10.569 ( 2.516 -8.676 -1.210) 9.114 10.741 ( -6.045 -7.218 -9.571) 13.426 10.900 ( -4.747 0.131 -10.232) 11.280 11.048 ( -10.761 5.566 1.690) 12.232 11.472 ( 17.784 4.090 -7.352) 19.674 11.681 ( 3.090 3.129 -19.316) 19.810 11.892 ( 3.411 2.899 -4.084) 6.060 12.034 ( 3.182 4.662 -8.858) 10.504 12.372 ( -1.488 0.331 -2.540) 2.962 12.484 ( -6.806 5.787 -1.874) 9.128 12.606 ( -10.186 3.742 -7.476) 13.178 12.678 ( -14.652 5.110 -11.498) 19.313 13.148 ( 2.973 15.123 -2.008) 15.542 13.235 ( 3.307 3.360 -8.010) 9.295 13.293 ( -3.759 9.271 -4.964) 11.167 13.467 ( -12.151 -4.785 -14.281) 19.352 14.920 ( 11.515 21.955 -9.810) 26.662 15.016 ( 15.204 -18.793 15.188) 28.548 15.246 ( -13.699 6.142 -7.679) 16.863 15.328 ( -10.458 -16.539 9.583) 21.788 15.656 ( 9.457 0.485 11.578) 14.957 15.770 ( 0.254 -8.556 4.423) 9.635 16.793 ( 14.176 19.899 3.873) 24.737 17.156 ( -19.019 8.287 -6.295) 21.680 18.104 ( 24.024 -5.051 18.127) 30.516 18.239 ( 20.596 -19.152 13.955) 31.397 18.514 ( 12.854 -12.920 13.330) 22.580 18.629 ( -3.847 -2.070 12.348) 13.098 18.725 ( -5.646 -6.945 14.582) 17.110 18.863 ( -11.223 -15.046 10.103) 21.317 18.993 ( 6.434 -8.454 9.904) 14.525 19.233 ( -15.399 -1.153 12.043) 19.583 20.805 ( -1.673 13.950 -24.287) 28.058 20.890 ( -8.686 13.979 -22.013) 27.485 21.372 ( 6.822 2.104 -8.084) 10.785 21.574 ( -11.542 1.188 -11.533) 16.360 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 0.000 1.678 18.518) 18.594 2.335 ( 0.000 10.120 15.280) 18.327 2.763 ( 0.000 -3.872 0.295) 3.883 2.880 ( 0.000 -1.031 6.482) 6.564 3.282 ( 0.000 6.076 -0.486) 6.095 3.479 ( 0.000 -2.222 0.219) 2.232 3.745 ( 0.000 2.309 -14.047) 14.235 3.774 ( 0.000 -1.527 -5.316) 5.531 3.890 ( 0.000 2.823 1.634) 3.262 4.195 ( 0.000 -5.606 -8.161) 9.901 4.256 ( 0.000 -3.857 -4.138) 5.657 4.315 ( 0.000 -6.669 -9.790) 11.846 6.595 ( 0.000 4.846 9.771) 10.906 6.766 ( 0.000 4.115 16.917) 17.410 6.836 ( 0.000 0.900 -0.178) 0.918 7.106 ( 0.000 -2.048 12.792) 12.955 7.369 ( 0.000 19.740 16.581) 25.780 7.703 ( 0.000 4.080 6.398) 7.589 8.199 ( 0.000 2.272 20.074) 20.202 8.516 ( 0.000 -12.896 -12.131) 17.704 8.775 ( 0.000 -17.263 -1.886) 17.365 8.961 ( 0.000 14.096 -8.151) 16.283 9.007 ( 0.000 -16.193 27.262) 31.709 9.482 ( 0.000 5.875 -15.116) 16.217 10.282 ( 0.000 0.600 2.463) 2.535 10.404 ( 0.000 -6.024 5.468) 8.135 10.992 ( 0.000 11.972 4.579) 12.818 11.204 ( 0.000 10.533 -6.622) 12.442 11.456 ( 0.000 17.963 -18.851) 26.039 12.203 ( 0.000 -6.898 11.546) 13.450 12.468 ( 0.000 -3.508 -17.388) 17.738 12.559 ( 0.000 -13.637 8.037) 15.829 12.834 ( 0.000 -13.269 -6.866) 14.940 12.974 ( 0.000 17.073 2.696) 17.284 13.117 ( 0.000 -18.145 -2.716) 18.347 13.173 ( 0.000 4.448 8.398) 9.503 13.320 ( 0.000 -2.188 10.649) 10.871 13.462 ( 0.000 15.104 -8.915) 17.538 13.820 ( 0.000 -5.508 -0.919) 5.584 14.005 ( 0.000 -2.157 -3.623) 4.216 14.346 ( 0.000 6.892 3.255) 7.622 14.651 ( 0.000 13.347 -18.000) 22.408 14.676 ( 0.000 -8.149 -6.750) 10.581 15.225 ( 0.000 -4.600 -14.698) 15.401 15.845 ( 0.000 25.552 15.261) 29.762 15.992 ( 0.000 2.437 33.108) 33.197 16.222 ( 0.000 4.277 31.099) 31.392 16.946 ( 0.000 6.182 22.646) 23.474 17.230 ( 0.000 7.933 -23.680) 24.973 17.724 ( 0.000 -15.013 12.901) 19.795 18.070 ( 0.000 1.531 -24.968) 25.015 18.105 ( 0.000 -23.753 -1.370) 23.792 18.264 ( 0.000 -2.423 -23.383) 23.509 18.288 ( 0.000 -10.002 3.495) 10.595 18.347 ( 0.000 -5.351 -12.563) 13.655 18.685 ( 0.000 -17.207 -15.471) 23.139 21.763 ( 0.000 8.029 16.065) 17.960 21.956 ( 0.000 10.843 4.262) 11.650 22.110 ( 0.000 -1.272 0.156) 1.281 22.267 ( 0.000 -0.105 -0.981) 0.987 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 2.952 6.685 14.315) 16.072 2.470 ( 10.046 4.836 14.995) 18.686 2.732 ( -0.695 -2.562 0.818) 2.777 2.929 ( 1.843 -2.726 5.133) 6.097 3.236 ( -4.083 1.253 0.197) 4.276 3.469 ( -1.765 -6.403 -1.972) 6.929 3.665 ( -4.449 5.113 -4.547) 8.161 3.770 ( 1.058 4.898 -13.259) 14.175 3.928 ( 0.767 -1.294 0.533) 1.596 4.168 ( -2.851 -5.105 -7.870) 9.805 4.237 ( -1.718 -3.422 -5.462) 6.670 4.310 ( 0.248 -6.253 -6.273) 8.861 6.680 ( 8.008 8.525 12.539) 17.147 6.946 ( 10.259 4.955 2.051) 11.576 6.989 ( 18.693 3.625 15.885) 24.797 7.339 ( 16.592 6.813 12.328) 21.764 7.453 ( 10.864 11.556 17.520) 23.633 7.791 ( 8.594 -0.894 4.015) 9.528 8.279 ( 5.807 -2.359 9.827) 11.656 8.554 ( 5.887 -6.900 -2.581) 9.431 8.714 ( -4.779 -14.300 12.928) 19.861 9.052 ( 9.717 -8.835 -8.703) 15.755 9.163 ( 11.951 3.390 13.116) 18.065 9.594 ( 10.013 6.183 -14.087) 18.356 10.277 ( 0.164 -0.210 3.110) 3.121 10.466 ( 3.888 -7.155 1.562) 8.292 10.845 ( -21.108 8.781 -13.252) 26.425 11.032 ( 3.455 10.128 5.278) 11.932 11.649 ( 6.074 9.542 -9.017) 14.466 12.133 ( -4.827 0.378 5.897) 7.630 12.241 ( -21.190 -15.355 -16.220) 30.788 12.467 ( -2.722 0.904 0.904) 3.007 12.790 ( -3.602 5.091 4.025) 7.422 12.914 ( -9.361 0.047 10.353) 13.958 13.094 ( -7.886 0.249 1.776) 8.087 13.242 ( 4.639 -1.895 -8.096) 9.521 13.278 ( 9.394 -2.197 6.785) 11.795 13.614 ( 8.110 11.984 -7.908) 16.490 13.782 ( -5.551 -7.172 -1.719) 9.231 14.041 ( 0.796 -5.595 -12.219) 13.463 14.366 ( -8.348 3.982 -13.042) 15.989 14.542 ( 15.749 5.734 12.966) 21.190 14.764 ( -9.161 -1.573 -15.487) 18.062 15.186 ( 1.834 -6.461 -2.406) 7.134 15.618 ( -11.557 20.707 14.546) 27.819 16.224 ( 13.555 0.807 28.820) 31.859 16.467 ( 21.019 9.211 29.274) 37.197 16.967 ( -5.288 11.008 4.011) 12.854 17.049 ( -6.874 11.852 -8.022) 15.877 17.858 ( 10.643 -14.722 10.861) 21.165 17.987 ( -3.629 -12.487 -13.161) 18.502 18.063 ( -6.201 -8.386 -7.309) 12.736 18.213 ( 1.183 -17.676 2.182) 17.849 18.369 ( 2.484 -16.782 -7.635) 18.604 18.523 ( 14.546 -1.227 -17.094) 22.479 18.899 ( 16.254 -7.619 -19.163) 26.257 21.693 ( -6.342 7.418 14.641) 17.596 21.879 ( -7.228 11.231 2.477) 13.584 21.966 ( -12.971 0.849 0.029) 12.999 22.211 ( -5.267 -0.259 -2.190) 5.710 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 1.891 8.911 7.878) 12.044 2.709 ( 12.056 2.674 11.681) 16.998 2.768 ( 3.593 -3.140 -1.141) 4.907 2.920 ( -2.093 -1.101 1.386) 2.742 3.129 ( -5.692 -3.482 0.268) 6.678 3.384 ( -4.887 -9.909 -2.168) 11.260 3.607 ( -1.949 7.003 -3.833) 8.218 3.815 ( 0.005 1.518 -7.000) 7.163 3.906 ( -0.713 -2.187 -5.654) 6.104 4.082 ( -5.202 -3.687 -9.800) 11.692 4.199 ( -0.847 -2.007 -0.251) 2.193 4.334 ( 1.448 -6.331 -1.915) 6.771 6.906 ( 12.700 13.800 15.965) 24.630 7.200 ( 13.310 11.827 4.010) 18.251 7.424 ( 18.125 10.009 12.491) 24.181 7.566 ( 10.078 10.001 13.060) 19.291 7.890 ( 20.427 5.437 9.934) 23.357 8.081 ( 19.648 -8.999 6.381) 22.533 8.394 ( 4.647 -5.868 -0.720) 7.520 8.632 ( 3.113 -12.280 21.903) 25.303 8.830 ( 15.178 -4.812 9.950) 18.775 9.272 ( 10.771 -13.311 -2.234) 17.268 9.509 ( 20.213 10.791 2.061) 23.006 9.818 ( 5.086 12.727 -12.336) 18.439 10.286 ( -5.388 -2.605 5.325) 8.011 10.337 ( -2.850 -5.327 -10.000) 11.683 10.709 ( 6.953 -10.769 -10.526) 16.587 11.103 ( 1.487 1.251 2.894) 3.486 11.627 ( -5.678 -1.127 0.669) 5.827 11.756 ( -21.799 -12.696 -19.762) 32.045 12.062 ( -3.455 11.797 5.607) 13.511 12.389 ( -5.172 11.061 -2.483) 12.460 12.616 ( -8.873 1.609 1.135) 9.089 12.811 ( -1.398 10.100 10.360) 14.536 12.982 ( -1.649 1.660 -5.283) 5.778 13.261 ( -2.170 8.574 -7.666) 11.704 13.484 ( -9.872 -7.421 -5.137) 13.376 13.520 ( -2.212 -3.856 -0.476) 4.471 13.737 ( 2.462 15.982 -9.725) 18.870 14.045 ( 2.041 -5.246 -3.818) 6.802 14.210 ( -17.378 2.093 -15.319) 23.260 14.571 ( 5.905 -15.303 -5.963) 17.453 14.951 ( 19.808 0.648 15.272) 25.020 15.268 ( 3.134 -7.965 5.162) 9.995 15.428 ( -6.009 18.825 8.676) 21.581 16.448 ( -5.595 8.260 -3.370) 10.530 16.732 ( 5.469 13.625 2.935) 14.972 16.993 ( 26.806 6.604 28.333) 39.560 17.145 ( 8.126 9.417 17.300) 21.307 17.835 ( -7.161 -3.528 -12.458) 14.796 17.963 ( -2.738 -10.500 -5.430) 12.134 18.171 ( 10.687 -26.122 10.494) 30.111 18.268 ( 7.733 -15.935 13.096) 22.028 18.403 ( 1.254 -25.339 1.623) 25.422 18.845 ( 13.332 4.584 -17.294) 22.312 19.223 ( 12.496 -5.952 -14.897) 20.334 21.522 ( -9.237 6.053 8.974) 14.230 21.607 ( -18.339 5.647 -1.570) 19.253 21.681 ( -11.981 12.254 -3.173) 17.429 22.054 ( -9.390 -0.551 -5.446) 10.869 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 3.431 9.629 2.556) 10.537 2.824 ( -2.418 -0.069 3.973) 4.652 2.855 ( 1.128 -1.330 -8.577) 8.752 2.966 ( 6.829 -1.033 3.595) 7.786 3.019 ( -0.877 -2.759 -2.399) 3.760 3.334 ( 0.348 -6.660 3.937) 7.745 3.558 ( -2.769 2.042 -4.513) 5.675 3.719 ( -6.541 -3.121 -1.864) 7.483 3.910 ( -1.483 0.433 -6.562) 6.742 3.974 ( -3.920 -0.769 -10.150) 10.907 4.214 ( 1.797 -5.686 4.443) 7.436 4.351 ( -0.129 -7.777 0.700) 7.810 7.179 ( 12.642 14.570 14.690) 24.247 7.479 ( 11.650 14.578 3.948) 19.074 7.704 ( 11.575 20.002 9.735) 25.077 7.762 ( 7.321 0.715 4.811) 8.789 8.119 ( 0.537 4.688 -5.358) 7.140 8.413 ( 10.537 -2.599 20.501) 23.196 8.660 ( 20.607 -3.112 8.825) 22.632 8.797 ( 9.330 -16.524 20.652) 28.046 9.117 ( 8.704 -6.460 12.747) 16.733 9.442 ( -3.824 14.302 0.255) 14.806 9.658 ( -0.536 -15.044 -6.055) 16.225 9.966 ( 20.839 11.442 6.197) 24.568 10.311 ( 5.382 -8.527 -2.852) 10.480 10.490 ( 9.515 -8.436 -8.710) 15.413 10.871 ( -0.703 -16.136 -16.940) 23.406 11.047 ( 2.319 -10.036 4.691) 11.318 11.396 ( -9.416 0.545 -10.339) 13.995 11.551 ( -1.370 -3.743 -4.328) 5.883 12.032 ( 2.421 13.216 2.029) 13.588 12.267 ( -6.384 10.773 -10.371) 16.259 12.500 ( -3.223 5.586 -3.305) 7.247 12.770 ( -3.338 11.639 5.378) 13.249 12.947 ( -7.571 1.724 -10.315) 12.911 13.090 ( -15.479 -0.112 -6.395) 16.748 13.168 ( -6.693 8.751 -3.371) 11.521 13.477 ( -4.862 -0.382 -7.474) 8.925 13.692 ( -8.657 17.022 -10.489) 21.788 13.839 ( -9.710 16.304 -9.402) 21.178 14.253 ( 14.940 -17.824 11.719) 26.043 14.796 ( 8.685 -22.929 2.245) 24.622 15.300 ( 7.287 -3.010 6.947) 10.508 15.321 ( 8.525 -8.187 8.629) 14.634 15.384 ( 2.185 14.277 0.342) 14.448 16.108 ( -18.407 23.328 -18.576) 35.044 17.034 ( 12.901 17.722 13.976) 25.997 17.368 ( 14.526 -11.772 12.553) 22.520 17.561 ( 22.848 -0.992 20.516) 30.723 17.630 ( -10.286 4.903 -3.748) 11.995 17.995 ( 6.698 -17.447 1.645) 18.761 18.334 ( 7.759 -18.723 11.337) 23.222 18.438 ( 2.270 -21.771 7.898) 23.270 18.509 ( 11.738 -15.466 17.728) 26.291 19.000 ( 0.071 4.041 -4.428) 5.995 19.355 ( -1.213 -6.054 -2.309) 6.592 21.237 ( -13.489 10.701 -10.495) 20.164 21.375 ( -6.175 6.602 -3.800) 9.806 21.427 ( -10.122 11.171 -7.408) 16.797 21.830 ( -11.519 -0.611 -9.602) 15.009 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 6.311 8.340 -1.671) 10.592 2.691 ( -7.733 4.916 -4.051) 10.019 2.900 ( 2.035 -3.173 -2.426) 4.483 2.939 ( -1.790 -4.726 -0.579) 5.087 3.197 ( 8.877 0.752 -2.629) 9.289 3.332 ( -2.913 0.110 -1.592) 3.321 3.520 ( 0.549 -5.813 -0.459) 5.857 3.589 ( -5.288 -5.576 -1.157) 7.771 3.875 ( 0.035 2.587 -3.979) 4.746 3.913 ( -2.707 3.296 -3.896) 5.777 4.263 ( 2.842 -10.175 3.923) 11.269 4.323 ( -2.423 -9.783 2.654) 10.422 7.422 ( 10.112 12.571 9.840) 18.897 7.573 ( -2.928 10.161 5.279) 11.819 7.886 ( 5.437 7.086 3.242) 9.502 7.951 ( 3.304 12.026 3.119) 12.856 8.139 ( 11.240 15.672 1.332) 19.331 8.457 ( -10.131 12.711 5.270) 17.088 8.925 ( 6.855 -9.094 7.627) 13.707 9.035 ( 3.434 -14.733 17.465) 23.106 9.119 ( 3.115 -3.639 14.581) 15.347 9.283 ( -5.157 -4.449 23.311) 24.286 9.932 ( 16.776 -14.642 -4.944) 22.809 10.203 ( -3.376 -1.639 2.395) 4.452 10.416 ( 5.060 -5.656 -3.060) 8.183 10.529 ( -6.281 -9.958 -10.188) 15.570 10.802 ( 8.103 -8.854 -5.463) 13.187 11.043 ( -11.304 -6.077 5.445) 13.941 11.558 ( 21.204 4.234 -8.330) 23.171 11.675 ( 13.565 -1.680 -14.214) 19.720 12.001 ( -10.844 6.331 -7.923) 14.847 12.121 ( -10.644 2.224 -13.747) 17.528 12.450 ( 1.450 7.874 0.053) 8.007 12.603 ( -11.611 6.015 -2.079) 13.241 12.738 ( -0.947 9.051 -5.530) 10.648 12.840 ( -10.302 6.945 -11.459) 16.902 13.160 ( 5.768 3.403 -1.483) 6.859 13.344 ( -9.957 -0.253 -8.048) 12.806 13.597 ( 3.292 23.230 -5.396) 24.074 13.710 ( -5.756 22.878 -4.524) 24.020 14.574 ( 14.300 -22.347 14.768) 30.364 14.810 ( -6.919 -24.404 12.228) 28.160 15.434 ( 8.100 -8.474 -1.907) 11.877 15.469 ( 5.150 3.971 -0.645) 6.535 15.509 ( 5.281 0.289 -1.246) 5.434 15.747 ( -15.490 29.006 -14.428) 35.909 17.227 ( 7.399 23.349 9.981) 26.449 17.399 ( -9.511 16.206 2.872) 19.008 17.677 ( 11.398 -33.562 4.440) 35.722 17.802 ( 0.073 -30.529 2.001) 30.595 18.338 ( 21.269 -4.280 18.138) 28.278 18.476 ( 2.735 -15.323 13.159) 20.383 18.498 ( 5.287 -9.577 15.898) 19.298 18.763 ( 6.386 -4.702 17.453) 19.170 18.847 ( -6.204 -1.593 11.715) 13.352 19.160 ( -15.961 -5.589 11.931) 20.697 21.087 ( -0.561 13.847 -19.221) 23.696 21.181 ( -8.454 14.736 -18.339) 24.999 21.411 ( 5.341 1.464 -9.552) 11.042 21.590 ( -10.748 -0.037 -12.269) 16.311 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.000 6.297 10.643) 12.367 2.470 ( 0.000 1.478 8.027) 8.162 2.724 ( 0.000 1.577 7.668) 7.829 2.813 ( 0.000 -5.390 9.023) 10.510 3.345 ( 0.000 1.259 -5.600) 5.740 3.391 ( 0.000 -4.313 -5.515) 7.001 3.816 ( 0.000 5.075 -2.176) 5.522 3.850 ( 0.000 4.176 -5.613) 6.996 3.972 ( 0.000 5.982 -9.428) 11.166 4.098 ( 0.000 -5.061 -9.421) 10.695 4.155 ( 0.000 -4.744 -4.362) 6.445 4.171 ( 0.000 -6.872 -9.620) 11.822 6.708 ( 0.000 6.561 3.096) 7.254 6.813 ( 0.000 -3.487 -3.411) 4.878 6.862 ( 0.000 5.662 15.971) 16.945 6.990 ( 0.000 -7.729 16.034) 17.800 7.766 ( 0.000 20.148 7.338) 21.443 7.890 ( 0.000 10.817 1.461) 10.915 8.211 ( 0.000 -6.149 8.921) 10.835 8.266 ( 0.000 -12.635 -1.810) 12.764 8.520 ( 0.000 -1.799 21.405) 21.480 8.695 ( 0.000 -15.003 25.013) 29.168 9.235 ( 0.000 13.749 -5.910) 14.966 9.456 ( 0.000 -7.976 -7.533) 10.971 10.307 ( 0.000 1.628 0.703) 1.774 10.335 ( 0.000 -1.642 3.093) 3.502 11.224 ( 0.000 10.693 3.756) 11.333 11.332 ( 0.000 0.954 0.041) 0.955 11.885 ( 0.000 25.732 -18.861) 31.904 12.133 ( 0.000 1.331 5.049) 5.221 12.283 ( 0.000 -12.787 2.798) 13.090 12.367 ( 0.000 -18.367 -26.454) 32.205 12.556 ( 0.000 -1.369 0.261) 1.394 12.738 ( 0.000 -15.671 -5.987) 16.775 13.233 ( 0.000 2.033 9.048) 9.273 13.252 ( 0.000 0.976 7.306) 7.371 13.429 ( 0.000 16.763 11.371) 20.256 13.648 ( 0.000 -0.787 2.337) 2.466 13.786 ( 0.000 3.164 -3.596) 4.789 13.908 ( 0.000 -6.731 -8.199) 10.608 14.466 ( 0.000 4.712 5.506) 7.246 14.545 ( 0.000 -4.881 -1.847) 5.219 14.884 ( 0.000 11.200 -20.222) 23.117 15.084 ( 0.000 -9.462 -17.700) 20.071 16.045 ( 0.000 2.828 33.241) 33.361 16.081 ( 0.000 0.348 30.896) 30.898 16.597 ( 0.000 32.802 14.200) 35.744 17.112 ( 0.000 10.501 16.251) 19.348 17.254 ( 0.000 -29.783 12.601) 32.340 17.290 ( 0.000 -8.032 -1.234) 8.126 17.833 ( 0.000 0.527 -3.343) 3.384 17.985 ( 0.000 -10.722 -6.618) 12.600 18.194 ( 0.000 1.634 -16.440) 16.521 18.245 ( 0.000 -1.981 -24.506) 24.586 18.295 ( 0.000 1.493 -17.179) 17.244 18.415 ( 0.000 -10.435 -21.697) 24.076 21.920 ( 0.000 7.839 11.265) 13.724 22.048 ( 0.000 -5.171 5.720) 7.711 22.136 ( 0.000 7.546 2.170) 7.852 22.239 ( 0.000 -3.198 0.369) 3.219 ======================= Grid point 217 (77/100) ======================= q-point: ( 0.11 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 4.758 6.670 7.994) 11.447 2.552 ( 6.693 -0.909 4.816) 8.296 2.719 ( 0.505 4.110 10.332) 11.131 2.843 ( 2.327 -6.345 9.431) 11.603 3.253 ( -7.476 1.728 -5.612) 9.507 3.330 ( -5.570 -6.337 -6.139) 10.434 3.789 ( -2.161 6.284 -1.997) 6.938 3.856 ( -0.304 1.126 -3.777) 3.953 3.958 ( -1.439 5.280 -11.475) 12.713 4.079 ( -1.994 -4.969 -10.818) 12.071 4.154 ( 0.296 -3.089 -5.118) 5.985 4.187 ( 1.579 -5.518 -5.043) 7.641 6.849 ( 12.595 8.238 5.434) 16.001 6.962 ( 13.769 -3.066 0.089) 14.106 7.095 ( 19.871 7.316 15.053) 25.980 7.257 ( 23.108 -8.983 14.889) 28.920 7.795 ( 2.775 19.250 7.777) 20.946 7.943 ( 4.986 11.267 3.506) 12.810 8.181 ( -0.240 -8.585 5.387) 10.138 8.319 ( 2.403 -16.575 7.671) 18.422 8.581 ( 6.770 4.018 19.931) 21.430 8.777 ( 7.263 -14.446 15.023) 22.071 9.367 ( 12.298 12.423 -4.400) 18.026 9.572 ( 10.862 -7.524 -6.993) 14.950 10.306 ( 0.298 2.742 -0.714) 2.849 10.368 ( 2.452 -3.714 0.071) 4.451 11.071 ( -21.051 12.266 -7.838) 25.593 11.176 ( -5.611 2.664 1.925) 6.503 11.745 ( -8.411 3.303 -3.814) 9.808 11.918 ( -20.011 -15.339 -11.779) 27.830 12.268 ( 6.372 12.757 -0.088) 14.261 12.539 ( 7.070 -7.880 -2.405) 10.856 12.661 ( 8.386 4.476 0.948) 9.553 12.911 ( -1.815 -8.421 2.810) 9.061 13.043 ( -4.589 -2.237 -4.869) 7.055 13.095 ( -3.948 -5.999 -0.130) 7.183 13.498 ( 2.337 16.219 9.387) 18.885 13.715 ( -3.390 -4.238 3.833) 6.644 13.792 ( 5.225 5.937 -4.992) 9.353 13.913 ( -0.118 -6.844 -11.780) 13.624 14.473 ( -5.664 6.993 -7.695) 11.841 14.585 ( 8.923 -2.588 6.027) 11.074 14.807 ( -9.057 6.795 -14.147) 18.120 14.994 ( -4.071 -11.433 -7.386) 14.207 15.980 ( -3.375 14.860 23.824) 28.280 16.176 ( 7.926 -6.175 28.056) 29.801 16.781 ( 15.619 24.076 19.425) 34.654 17.174 ( 5.436 4.771 12.064) 14.066 17.295 ( -2.479 9.842 -8.893) 13.494 17.402 ( 11.726 -24.621 13.603) 30.475 17.724 ( -3.038 -6.500 -0.070) 7.176 17.881 ( -12.321 -16.282 -17.650) 26.990 18.044 ( -2.582 -3.615 -1.312) 4.632 18.060 ( -5.635 -5.465 -5.409) 9.533 18.616 ( 18.500 6.709 -23.045) 30.304 18.754 ( 18.743 -7.484 -22.000) 29.855 21.834 ( -7.790 6.766 10.130) 14.459 21.936 ( -10.103 -3.524 5.025) 11.821 22.070 ( -6.185 7.885 0.502) 10.034 22.178 ( -5.623 -3.462 -1.046) 6.686 ======================= Grid point 218 (78/100) ======================= q-point: ( 0.22 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 3.387 7.697 2.364) 8.736 2.678 ( 4.242 -5.754 -1.584) 7.322 2.806 ( 8.283 6.165 13.149) 16.718 2.901 ( 2.707 -2.468 7.915) 8.721 3.084 ( -7.464 0.787 -4.980) 9.008 3.190 ( -6.259 -9.117 -3.612) 11.634 3.721 ( -4.577 4.856 -2.774) 7.227 3.798 ( -5.487 -3.066 -1.766) 6.529 3.939 ( 0.063 4.458 -12.504) 13.275 4.018 ( -3.424 -3.414 -11.555) 12.526 4.167 ( 0.390 -0.053 -1.058) 1.129 4.220 ( 1.067 -5.035 -1.887) 5.481 7.168 ( 15.930 11.962 9.939) 22.263 7.319 ( 18.054 -2.504 2.704) 18.427 7.563 ( 21.216 11.923 14.579) 28.369 7.826 ( 25.360 -11.930 14.728) 31.661 7.885 ( 7.962 15.787 10.023) 20.324 8.097 ( 9.031 7.811 3.667) 12.491 8.220 ( 4.085 -7.986 10.240) 13.614 8.403 ( 7.677 -12.737 17.177) 22.721 8.794 ( 12.325 3.382 10.048) 16.257 8.974 ( 11.064 -14.360 2.010) 18.239 9.727 ( 20.984 10.679 0.256) 23.546 9.886 ( 17.677 -5.324 -6.124) 19.451 10.319 ( -0.747 2.971 -7.843) 8.421 10.408 ( -1.475 0.981 -1.136) 2.104 10.592 ( -17.693 10.869 -11.827) 23.897 10.955 ( -15.372 -16.890 -6.227) 23.672 11.576 ( -9.484 -2.582 -3.897) 10.574 11.587 ( -8.469 -3.396 -2.477) 9.455 12.323 ( -1.938 14.495 5.398) 15.589 12.526 ( -8.411 -3.198 1.875) 9.191 12.691 ( -2.669 8.136 -2.263) 8.856 12.859 ( 4.155 -6.485 6.007) 9.767 13.014 ( 3.705 6.372 -9.964) 12.394 13.226 ( 1.743 -10.223 -9.438) 14.022 13.478 ( -6.012 8.434 0.441) 10.367 13.572 ( -6.055 2.984 -1.216) 6.859 13.899 ( 4.747 -1.444 -2.321) 5.477 13.906 ( -0.858 -6.127 -9.519) 11.352 14.379 ( -4.866 13.131 -6.506) 15.441 14.472 ( -8.702 3.500 -8.960) 12.971 14.870 ( 10.221 -6.533 7.756) 14.398 14.953 ( -1.009 -15.485 2.506) 15.719 15.954 ( 1.128 27.602 12.341) 30.256 16.382 ( 10.268 -14.991 16.352) 24.445 17.080 ( -12.060 22.354 -16.389) 30.228 17.178 ( 19.490 13.412 20.604) 31.373 17.358 ( 8.962 4.158 10.786) 14.627 17.605 ( -3.102 -25.135 -6.767) 26.214 17.720 ( 10.280 -8.603 10.564) 17.067 17.813 ( 5.461 -5.981 6.408) 10.328 18.000 ( 2.255 -9.013 7.558) 11.977 18.039 ( 1.162 -10.709 5.144) 11.938 18.961 ( 12.925 6.818 -17.345) 22.680 19.095 ( 12.563 -7.063 -16.262) 21.729 21.624 ( -11.143 4.108 5.654) 13.154 21.664 ( -14.477 0.296 1.576) 14.566 21.889 ( -10.547 8.865 -4.074) 14.367 22.013 ( -9.780 -4.074 -4.873) 11.661 ======================= Grid point 219 (79/100) ======================= q-point: ( 0.33 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 3.550 8.645 -0.243) 9.348 2.757 ( 3.563 -5.968 -0.532) 6.971 2.883 ( -4.043 2.797 -2.509) 5.519 2.933 ( -3.222 -2.276 -1.517) 4.227 3.033 ( 8.048 4.421 2.521) 9.523 3.170 ( 4.795 -8.986 5.623) 11.635 3.596 ( -7.165 2.235 -4.503) 8.753 3.652 ( -7.852 -3.550 -3.188) 9.188 3.941 ( -0.852 1.929 -6.570) 6.901 3.964 ( -0.006 -0.480 -8.184) 8.199 4.150 ( -2.179 0.014 2.026) 2.976 4.216 ( -1.652 -5.925 0.617) 6.182 7.470 ( 12.584 13.993 12.232) 22.445 7.644 ( 11.800 -2.378 6.043) 13.469 7.896 ( 7.816 15.846 9.638) 20.126 8.007 ( 9.869 10.686 8.496) 16.845 8.167 ( 1.064 -3.263 9.342) 9.953 8.345 ( 17.746 -20.160 17.096) 31.837 8.460 ( 15.024 8.924 15.841) 23.586 8.628 ( 11.122 -7.598 14.894) 20.081 9.040 ( 9.864 2.486 3.570) 10.781 9.248 ( 15.129 -16.497 -5.469) 23.042 9.933 ( -25.470 22.089 -13.541) 36.332 10.122 ( 8.379 0.591 1.241) 8.491 10.218 ( 13.325 1.022 -5.536) 14.465 10.443 ( 3.819 -2.579 -4.191) 6.229 10.525 ( -2.077 -9.319 -10.774) 14.395 10.770 ( 8.206 -16.934 4.374) 19.319 11.426 ( -3.022 2.525 -6.015) 7.189 11.483 ( -1.057 -3.268 -3.804) 5.125 12.258 ( -2.412 8.959 -3.121) 9.789 12.353 ( -7.037 -0.908 -7.690) 10.463 12.682 ( -2.324 11.641 -6.551) 13.559 12.868 ( -4.664 -4.584 -0.650) 6.572 12.968 ( -10.810 2.984 -7.619) 13.558 13.055 ( -11.349 -3.331 -2.301) 12.049 13.387 ( -2.448 12.358 -5.500) 13.747 13.531 ( 3.277 4.413 2.151) 5.902 13.831 ( -6.107 -3.726 -3.669) 8.040 13.978 ( 1.155 -6.534 2.317) 7.028 14.280 ( 2.555 19.380 -0.347) 19.551 14.544 ( 8.004 0.394 -3.657) 8.809 14.904 ( -1.549 -16.301 2.179) 16.519 15.054 ( 4.832 -18.341 3.149) 19.226 16.023 ( 5.356 35.281 2.809) 35.795 16.520 ( -0.067 3.469 -3.490) 4.922 16.885 ( -3.252 -4.884 -5.036) 7.732 17.291 ( -7.400 -26.103 -7.719) 28.209 17.560 ( 9.266 18.196 13.553) 24.508 17.770 ( 9.099 2.426 11.073) 14.536 17.830 ( 9.794 5.541 12.380) 16.730 18.055 ( 12.475 -10.351 14.340) 21.643 18.092 ( 8.000 -11.596 13.035) 19.194 18.200 ( 14.368 -15.178 20.111) 29.005 19.103 ( -0.526 6.232 -4.199) 7.533 19.230 ( -0.917 -6.778 -3.421) 7.647 21.389 ( -9.533 5.032 -6.790) 12.739 21.431 ( -6.283 0.524 -3.333) 7.131 21.649 ( -11.725 9.717 -10.259) 18.362 21.785 ( -11.460 -4.489 -9.876) 15.780 ======================= Grid point 220 (80/100) ======================= q-point: ( 0.44 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 4.132 7.719 -1.517) 8.886 2.786 ( -4.067 4.502 -1.418) 6.231 2.825 ( 1.932 -5.020 -1.968) 5.728 2.864 ( -2.128 -3.340 -1.657) 4.293 3.226 ( 9.012 2.828 -2.242) 9.708 3.301 ( 6.054 -3.746 0.836) 7.168 3.433 ( -7.489 -1.079 -4.566) 8.838 3.482 ( -7.973 -4.965 -2.933) 9.840 3.948 ( 2.272 4.758 -1.419) 5.460 3.991 ( 0.386 3.814 -1.258) 4.034 4.098 ( -0.866 -5.719 2.521) 6.310 4.153 ( -3.997 -7.661 1.865) 8.840 7.698 ( 8.951 14.557 11.126) 20.391 7.797 ( 1.614 10.217 8.045) 13.104 7.952 ( 1.986 -0.688 10.400) 10.610 8.041 ( -4.777 -3.186 8.301) 10.094 8.401 ( 16.227 10.036 13.095) 23.141 8.593 ( 2.372 1.572 15.246) 15.509 8.681 ( 7.115 -10.708 17.354) 21.597 8.768 ( 0.905 -10.372 11.546) 15.547 9.209 ( 7.575 12.227 -4.707) 15.134 9.453 ( -16.890 21.941 -11.137) 29.845 9.584 ( 15.004 -21.157 -8.860) 27.408 9.930 ( -17.158 -23.616 -12.764) 31.859 10.433 ( 9.606 6.804 1.689) 11.892 10.581 ( 0.101 9.002 4.064) 9.877 10.614 ( 10.163 -7.428 1.913) 12.733 10.844 ( -7.151 -13.340 7.241) 16.779 11.623 ( 21.830 2.556 -10.387) 24.310 11.655 ( 18.188 -0.909 -10.879) 21.213 12.089 ( -17.859 3.006 -11.500) 21.453 12.127 ( -18.241 -1.029 -13.686) 22.828 12.616 ( 1.567 8.178 -4.129) 9.294 12.706 ( -3.857 2.426 -7.616) 8.875 12.792 ( -4.818 -0.652 -5.753) 7.532 12.861 ( -8.306 -3.530 -9.513) 13.113 13.412 ( 5.135 19.844 3.913) 20.867 13.545 ( -5.290 19.519 4.402) 20.697 13.795 ( 5.024 -11.459 4.432) 13.274 13.925 ( -5.403 -10.145 5.643) 12.804 14.441 ( 9.837 16.957 0.986) 19.628 14.608 ( -4.131 12.239 -0.004) 12.917 14.949 ( 6.388 -27.662 -2.234) 28.477 15.070 ( -3.242 -25.876 -1.236) 26.107 16.175 ( 8.988 38.457 -4.663) 39.767 16.382 ( -9.934 35.081 -10.155) 37.849 16.949 ( 6.648 -38.281 -1.653) 38.889 17.112 ( -8.567 -37.002 -6.165) 38.478 17.702 ( 4.372 22.575 13.352) 26.590 17.760 ( -1.685 19.764 9.974) 22.202 18.108 ( 5.882 -18.646 15.273) 24.810 18.138 ( 1.713 -19.018 13.263) 23.249 18.482 ( 22.893 4.972 19.927) 30.755 18.611 ( 22.417 -7.991 20.064) 31.127 18.920 ( -16.259 5.828 11.038) 20.498 19.041 ( -16.320 -6.522 11.383) 20.939 21.303 ( 1.417 8.317 -15.119) 17.314 21.399 ( 1.623 0.224 -12.862) 12.965 21.428 ( -7.085 7.145 -14.599) 17.730 21.555 ( -9.837 -4.096 -13.571) 17.255 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 0.000 0.000 13.606) 13.606 2.687 ( 0.000 0.000 -8.085) 8.085 2.849 ( 0.000 0.000 14.876) 14.876 2.982 ( 0.000 0.000 12.666) 12.666 3.055 ( 0.000 0.000 -5.005) 5.005 3.305 ( 0.000 0.000 -15.045) 15.045 3.681 ( 0.000 0.000 1.198) 1.198 3.752 ( 0.000 0.000 -4.580) 4.580 4.113 ( 0.000 0.000 -0.824) 0.824 4.169 ( 0.000 0.000 -6.527) 6.527 4.239 ( 0.000 0.000 8.471) 8.471 4.363 ( 0.000 0.000 -3.693) 3.693 6.801 ( 0.000 0.000 13.250) 13.250 7.019 ( 0.000 0.000 -6.136) 6.136 7.053 ( 0.000 0.000 10.528) 10.528 7.070 ( 0.000 0.000 9.005) 9.005 7.427 ( 0.000 0.000 28.093) 28.093 8.026 ( 0.000 0.000 -27.022) 27.022 8.057 ( 0.000 0.000 11.949) 11.949 8.460 ( 0.000 0.000 -25.523) 25.523 8.499 ( 0.000 0.000 7.993) 7.993 8.698 ( 0.000 0.000 -11.768) 11.768 9.374 ( 0.000 0.000 26.804) 26.804 10.070 ( 0.000 0.000 -32.696) 32.696 10.102 ( 0.000 0.000 28.837) 28.837 10.521 ( 0.000 0.000 10.599) 10.599 10.567 ( 0.000 0.000 -17.006) 17.006 10.770 ( 0.000 0.000 -14.070) 14.070 11.219 ( 0.000 0.000 29.081) 29.081 11.945 ( 0.000 0.000 -36.475) 36.475 12.547 ( 0.000 0.000 7.697) 7.697 12.704 ( 0.000 0.000 -8.236) 8.236 12.868 ( 0.000 0.000 18.829) 18.829 13.110 ( 0.000 0.000 -0.245) 0.245 13.118 ( 0.000 0.000 10.175) 10.175 13.246 ( 0.000 0.000 12.279) 12.279 13.395 ( 0.000 0.000 -16.818) 16.818 13.534 ( 0.000 0.000 -14.838) 14.838 13.957 ( 0.000 0.000 -1.241) 1.241 14.041 ( 0.000 0.000 -7.025) 7.025 14.227 ( 0.000 0.000 20.994) 20.994 14.332 ( 0.000 0.000 16.523) 16.523 14.626 ( 0.000 0.000 -16.383) 16.383 14.746 ( 0.000 0.000 -21.110) 21.110 15.678 ( 0.000 0.000 26.558) 26.558 16.295 ( 0.000 0.000 -31.663) 31.663 16.664 ( 0.000 0.000 34.923) 34.923 16.935 ( 0.000 0.000 35.094) 35.094 17.387 ( 0.000 0.000 -32.671) 32.671 17.438 ( 0.000 0.000 26.479) 26.479 17.653 ( 0.000 0.000 -32.416) 32.416 17.962 ( 0.000 0.000 -22.747) 22.747 18.284 ( 0.000 0.000 9.451) 9.451 18.439 ( 0.000 0.000 -5.158) 5.158 18.960 ( 0.000 0.000 5.622) 5.622 19.076 ( 0.000 0.000 -5.261) 5.261 21.801 ( 0.000 0.000 7.298) 7.298 21.948 ( 0.000 0.000 13.460) 13.460 21.952 ( 0.000 0.000 -6.888) 6.888 22.159 ( 0.000 0.000 -6.795) 6.795 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 0.984 0.000 11.839) 11.880 2.642 ( -2.136 0.000 -3.990) 4.526 2.898 ( 4.507 0.000 13.905) 14.617 3.086 ( 5.729 0.000 7.664) 9.568 3.090 ( 3.184 0.000 -4.517) 5.526 3.358 ( 3.190 0.000 -16.052) 16.365 3.569 ( -7.939 0.000 2.549) 8.338 3.644 ( -6.817 0.000 -3.671) 7.743 4.066 ( -4.349 0.000 -0.862) 4.434 4.122 ( -4.397 0.000 -6.582) 7.916 4.290 ( 3.860 0.000 7.467) 8.405 4.402 ( 3.295 0.000 -3.321) 4.678 6.853 ( 4.906 0.000 14.809) 15.600 7.045 ( 3.308 0.000 -1.100) 3.487 7.134 ( 6.573 0.000 14.948) 16.329 7.273 ( 16.131 0.000 4.223) 16.675 7.623 ( 15.312 0.000 19.039) 24.433 8.053 ( 0.641 0.000 -19.538) 19.548 8.234 ( 17.291 0.000 6.990) 18.651 8.506 ( 5.802 0.000 -19.457) 20.304 8.527 ( 4.076 0.000 7.837) 8.833 8.821 ( 13.227 0.000 -19.337) 23.428 9.513 ( 11.840 0.000 27.838) 30.251 10.093 ( -0.909 0.000 29.358) 29.372 10.186 ( 10.476 0.000 -31.295) 33.002 10.541 ( -2.314 0.000 -13.890) 14.082 10.589 ( 6.548 0.000 10.520) 12.391 10.831 ( 5.626 0.000 -13.188) 14.338 11.153 ( -5.825 0.000 21.683) 22.452 11.782 ( -14.708 0.000 -34.281) 37.303 12.558 ( 0.941 0.000 8.684) 8.735 12.676 ( -18.429 0.000 15.964) 24.382 12.730 ( 2.067 0.000 -8.136) 8.395 12.828 ( -15.629 0.000 5.837) 16.684 13.055 ( -13.879 0.000 11.907) 18.287 13.113 ( -5.139 0.000 2.682) 5.797 13.348 ( -13.470 0.000 -15.683) 20.673 13.369 ( -2.968 0.000 -16.947) 17.205 13.877 ( -7.848 0.000 7.653) 10.961 14.150 ( -2.894 0.000 -14.990) 15.267 14.439 ( 13.182 0.000 14.658) 19.713 14.501 ( 21.207 0.000 20.450) 29.461 14.761 ( 7.684 0.000 -15.256) 17.082 14.879 ( 18.939 0.000 -14.820) 24.049 15.445 ( -16.863 0.000 24.935) 30.101 16.031 ( -20.266 0.000 -30.243) 36.405 16.959 ( 23.256 0.000 34.418) 41.539 16.964 ( 1.985 0.000 32.676) 32.737 17.440 ( 1.483 0.000 23.777) 23.823 17.625 ( -1.685 0.000 -26.442) 26.496 17.667 ( 21.682 0.000 -31.997) 38.652 17.936 ( -0.817 0.000 -19.544) 19.561 18.458 ( 14.800 0.000 10.039) 17.883 18.653 ( 17.285 0.000 -9.492) 19.720 18.972 ( 1.093 0.000 5.398) 5.507 19.082 ( 0.604 0.000 -4.993) 5.029 21.662 ( -12.904 0.000 5.484) 14.021 21.780 ( -15.911 0.000 -5.491) 16.832 21.874 ( -6.940 0.000 13.200) 14.913 22.088 ( -6.667 0.000 -7.323) 9.903 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -4.106 0.000 10.910) 11.657 2.630 ( -0.361 0.000 -7.365) 7.374 3.027 ( 7.352 0.000 11.390) 13.556 3.078 ( -6.357 0.000 5.482) 8.394 3.180 ( 5.115 0.000 -3.110) 5.986 3.258 ( -9.990 0.000 -10.007) 14.140 3.527 ( 1.991 0.000 1.359) 2.410 3.623 ( 4.178 0.000 -6.530) 7.753 3.943 ( -6.912 0.000 -1.223) 7.019 3.994 ( -7.440 0.000 -6.367) 9.793 4.395 ( 6.374 0.000 6.761) 9.292 4.490 ( 4.775 0.000 -2.477) 5.379 6.999 ( 8.643 0.000 16.608) 18.723 7.171 ( 8.526 0.000 1.932) 8.743 7.251 ( 3.993 0.000 17.839) 18.281 7.572 ( 8.280 0.000 -9.337) 12.480 7.852 ( 2.880 0.000 1.250) 3.139 8.065 ( 0.109 0.000 -16.468) 16.469 8.717 ( 25.249 0.000 5.612) 25.865 8.724 ( 17.640 0.000 22.405) 28.516 8.852 ( 30.453 0.000 -4.863) 30.838 9.274 ( 27.271 0.000 -26.703) 38.167 9.809 ( 15.523 0.000 29.707) 33.518 10.064 ( -1.773 0.000 30.054) 30.106 10.473 ( 15.791 0.000 -29.986) 33.889 10.484 ( -2.684 0.000 -9.002) 9.393 10.785 ( 11.457 0.000 8.827) 14.462 10.986 ( 8.530 0.000 -10.248) 13.333 11.002 ( -7.957 0.000 5.887) 9.898 11.383 ( -21.751 0.000 -27.680) 35.204 12.245 ( -20.234 0.000 15.002) 25.188 12.436 ( -20.264 0.000 -0.216) 20.265 12.573 ( -0.423 0.000 9.436) 9.446 12.706 ( -9.438 0.000 -0.122) 9.439 12.837 ( -1.345 0.000 3.818) 4.047 13.001 ( -6.656 0.000 5.602) 8.700 13.098 ( -8.645 0.000 -17.365) 19.398 13.247 ( -9.162 0.000 -13.613) 16.409 13.609 ( -15.416 0.000 4.448) 16.044 13.846 ( -20.157 0.000 -14.761) 24.984 14.841 ( 22.452 0.000 14.736) 26.856 14.903 ( 3.310 0.000 17.760) 18.065 15.062 ( 1.722 0.000 13.656) 13.764 15.121 ( 22.428 0.000 -11.611) 25.255 15.352 ( 12.668 0.000 -6.640) 14.303 15.607 ( -15.075 0.000 -23.338) 27.784 16.936 ( -5.942 0.000 27.814) 28.442 17.461 ( -7.511 0.000 -16.449) 18.082 17.508 ( 27.516 0.000 32.098) 42.278 17.678 ( 14.938 0.000 15.523) 21.543 18.040 ( 12.248 0.000 -12.244) 17.319 18.150 ( 22.415 0.000 -28.157) 35.989 18.816 ( 17.462 0.000 11.005) 20.641 19.007 ( 2.301 0.000 4.716) 5.247 19.047 ( 18.390 0.000 -12.006) 21.962 19.102 ( 1.345 0.000 -4.242) 4.450 21.280 ( -22.923 0.000 0.439) 22.927 21.317 ( -27.091 0.000 -2.965) 27.253 21.671 ( -11.805 0.000 11.997) 16.831 21.889 ( -11.919 0.000 -8.680) 14.745 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -2.901 0.000 8.688) 9.159 2.576 ( -5.147 0.000 -11.293) 12.410 2.936 ( -4.809 0.000 3.981) 6.243 3.073 ( -7.182 0.000 -7.996) 10.748 3.185 ( 7.190 0.000 8.377) 11.039 3.287 ( 4.539 0.000 -0.908) 4.629 3.583 ( 2.904 0.000 3.502) 4.549 3.688 ( 1.266 0.000 -5.907) 6.041 3.797 ( -6.439 0.000 -2.175) 6.796 3.832 ( -7.327 0.000 -5.730) 9.302 4.538 ( 6.289 0.000 3.981) 7.443 4.587 ( 4.095 0.000 -0.851) 4.183 7.204 ( 10.712 0.000 15.479) 18.824 7.315 ( 2.707 0.000 13.162) 13.437 7.383 ( 10.907 0.000 1.353) 10.990 7.601 ( -3.597 0.000 -12.947) 13.437 7.835 ( -2.498 0.000 -4.283) 4.958 7.965 ( -9.047 0.000 -16.758) 19.044 9.230 ( 26.917 0.000 30.314) 40.539 9.312 ( 29.108 0.000 19.102) 34.817 9.582 ( 34.725 0.000 -4.688) 35.040 9.826 ( 21.486 0.000 -19.670) 29.130 10.031 ( -0.933 0.000 27.418) 27.434 10.151 ( 17.396 0.000 24.635) 30.158 10.442 ( -1.119 0.000 -8.958) 9.027 10.799 ( 13.604 0.000 -27.542) 30.718 10.831 ( -8.455 0.000 -6.081) 10.415 10.931 ( -19.993 0.000 -18.137) 26.994 11.021 ( 9.473 0.000 4.146) 10.341 11.154 ( 6.289 0.000 -5.752) 8.523 11.901 ( -10.385 0.000 10.552) 14.805 12.050 ( -14.526 0.000 -1.628) 14.617 12.459 ( -9.999 0.000 3.966) 10.757 12.505 ( -7.853 0.000 0.712) 7.885 12.775 ( -14.984 0.000 1.397) 15.049 12.873 ( 3.372 0.000 2.008) 3.925 12.937 ( -21.267 0.000 -12.213) 24.524 13.023 ( 0.428 0.000 -12.025) 12.033 13.329 ( -8.311 0.000 4.987) 9.692 13.500 ( -11.431 0.000 -10.949) 15.829 14.677 ( -10.872 0.000 12.323) 16.433 15.011 ( -15.795 0.000 -17.133) 23.303 15.319 ( 22.342 0.000 15.284) 27.070 15.533 ( 14.488 0.000 11.037) 18.213 15.601 ( 21.797 0.000 -11.232) 24.521 15.721 ( 11.218 0.000 -5.227) 12.376 16.744 ( -10.891 0.000 22.783) 25.253 17.189 ( -16.234 0.000 -19.000) 24.991 18.069 ( 24.836 0.000 25.825) 35.829 18.171 ( 29.024 0.000 18.076) 34.193 18.417 ( 22.069 0.000 -3.894) 22.410 18.539 ( 13.128 0.000 -17.900) 22.198 19.072 ( 3.889 0.000 3.355) 5.136 19.132 ( 11.579 0.000 13.389) 17.702 19.142 ( 2.545 0.000 -3.095) 4.007 19.375 ( 11.952 0.000 -9.467) 15.247 20.677 ( -31.756 0.000 -2.431) 31.849 20.750 ( -26.922 0.000 -8.508) 28.234 21.415 ( -11.352 0.000 8.195) 14.001 21.610 ( -13.929 0.000 -9.848) 17.059 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 1.886 0.000 2.396) 3.049 2.442 ( -6.347 0.000 -5.801) 8.599 2.901 ( 0.912 0.000 -1.355) 1.634 2.955 ( -4.089 0.000 -5.796) 7.093 3.309 ( 4.201 0.000 5.540) 6.953 3.348 ( 0.733 0.000 2.249) 2.365 3.642 ( 2.543 0.000 1.926) 3.190 3.684 ( -1.318 0.000 -1.948) 2.352 3.699 ( -2.328 0.000 -3.768) 4.429 3.713 ( -3.525 0.000 -5.036) 6.147 4.633 ( 2.590 0.000 1.940) 3.236 4.646 ( 1.241 0.000 0.625) 1.390 7.384 ( 4.133 0.000 4.247) 5.926 7.443 ( 11.801 0.000 9.197) 14.962 7.491 ( -5.786 0.000 -5.658) 8.092 7.586 ( 6.053 0.000 2.760) 6.653 7.735 ( -8.616 0.000 -9.947) 13.160 7.770 ( -5.585 0.000 -6.754) 8.764 9.747 ( 20.566 0.000 26.386) 33.454 9.819 ( 16.940 0.000 27.201) 32.045 9.997 ( -1.694 0.000 28.420) 28.470 10.021 ( -3.519 0.000 12.332) 12.824 10.221 ( 22.433 0.000 -8.700) 24.061 10.449 ( 2.429 0.000 -14.142) 14.349 10.560 ( 19.998 0.000 2.081) 20.106 10.569 ( -12.936 0.000 -8.392) 15.420 10.641 ( -10.813 0.000 -12.719) 16.694 10.893 ( -8.413 0.000 -9.573) 12.744 11.166 ( 5.700 0.000 -10.652) 12.081 11.225 ( 0.700 0.000 -7.658) 7.690 11.868 ( 5.492 0.000 2.360) 5.977 11.924 ( 2.029 0.000 -2.297) 3.065 12.303 ( -3.521 0.000 -0.602) 3.572 12.337 ( -6.294 0.000 -3.267) 7.091 12.445 ( -13.404 0.000 -3.587) 13.875 12.472 ( -17.718 0.000 -6.178) 18.764 12.965 ( 4.571 0.000 2.450) 5.186 13.030 ( -1.124 0.000 -3.348) 3.531 13.262 ( 0.589 0.000 0.785) 0.982 13.329 ( -5.585 0.000 -5.705) 7.984 14.559 ( 0.410 0.000 0.137) 0.432 14.696 ( -11.989 0.000 -12.254) 17.143 15.747 ( 17.326 0.000 13.988) 22.268 15.791 ( 8.434 0.000 8.519) 11.988 15.863 ( 1.755 0.000 1.870) 2.565 15.929 ( 4.644 0.000 -0.956) 4.741 16.588 ( 0.805 0.000 7.413) 7.457 16.825 ( -17.208 0.000 -12.823) 21.460 18.499 ( 14.887 0.000 13.293) 19.958 18.666 ( -1.008 0.000 -2.468) 2.666 18.794 ( 25.860 0.000 11.533) 28.315 18.879 ( 18.092 0.000 3.590) 18.445 19.155 ( 3.546 0.000 2.874) 4.565 19.191 ( 0.853 0.000 0.097) 0.858 19.275 ( 3.169 0.000 21.774) 22.003 19.476 ( -6.517 0.000 9.939) 11.885 20.114 ( -14.458 0.000 -17.668) 22.830 20.229 ( -19.857 0.000 -21.438) 29.221 21.259 ( -2.049 0.000 -0.158) 2.055 21.348 ( -9.700 0.000 -8.010) 12.580 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 0.000 3.392 11.456) 11.948 2.636 ( 0.000 -3.741 0.652) 3.797 2.917 ( 0.000 4.629 6.525) 8.000 2.922 ( 0.000 -3.990 8.304) 9.213 3.147 ( 0.000 7.242 -0.701) 7.276 3.306 ( 0.000 1.401 -13.426) 13.499 3.653 ( 0.000 -3.343 0.701) 3.416 3.720 ( 0.000 -3.314 -4.682) 5.736 4.051 ( 0.000 -5.875 3.449) 6.812 4.126 ( 0.000 -4.322 -5.938) 7.344 4.226 ( 0.000 -1.359 2.014) 2.430 4.307 ( 0.000 -5.295 -4.247) 6.788 6.772 ( 0.000 -2.340 10.128) 10.394 6.906 ( 0.000 -5.676 -0.747) 5.724 7.081 ( 0.000 1.137 12.312) 12.365 7.186 ( 0.000 6.749 1.910) 7.014 7.519 ( 0.000 8.669 23.339) 24.897 7.858 ( 0.000 -6.244 -1.037) 6.330 8.278 ( 0.000 10.266 -14.317) 17.617 8.384 ( 0.000 -5.898 -16.486) 17.509 8.510 ( 0.000 2.620 11.782) 12.070 8.816 ( 0.000 9.451 -18.516) 20.789 9.332 ( 0.000 -3.224 27.291) 27.480 9.793 ( 0.000 -14.634 -0.226) 14.636 10.393 ( 0.000 15.901 -1.810) 16.003 10.419 ( 0.000 -3.920 3.857) 5.499 10.765 ( 0.000 13.673 -8.578) 16.141 10.784 ( 0.000 2.328 -10.943) 11.188 11.218 ( 0.000 0.114 25.455) 25.456 11.909 ( 0.000 -3.498 -36.052) 36.221 12.697 ( 0.000 -11.255 14.336) 18.227 12.712 ( 0.000 15.820 8.158) 17.800 12.899 ( 0.000 14.934 -8.344) 17.107 12.944 ( 0.000 -15.223 -5.222) 16.094 13.076 ( 0.000 -4.430 11.029) 11.885 13.321 ( 0.000 4.013 10.405) 11.152 13.361 ( 0.000 -2.322 -12.566) 12.778 13.431 ( 0.000 -12.642 -2.706) 12.928 13.939 ( 0.000 -7.010 -2.306) 7.379 14.013 ( 0.000 6.771 -7.106) 9.816 14.137 ( 0.000 -3.014 12.075) 12.446 14.510 ( 0.000 10.324 18.093) 20.831 14.513 ( 0.000 -6.105 -18.382) 19.369 14.890 ( 0.000 7.193 -17.513) 18.933 15.825 ( 0.000 15.047 24.895) 29.090 16.406 ( 0.000 11.252 -29.923) 31.969 16.676 ( 0.000 1.231 34.660) 34.682 16.919 ( 0.000 -1.427 33.222) 33.252 17.410 ( 0.000 1.996 -20.301) 20.399 17.432 ( 0.000 -0.119 14.808) 14.809 17.645 ( 0.000 -0.631 -31.657) 31.664 17.936 ( 0.000 -2.576 -22.108) 22.258 18.215 ( 0.000 -7.123 9.877) 12.177 18.385 ( 0.000 -5.385 -5.830) 7.936 18.772 ( 0.000 -18.404 6.011) 19.361 18.892 ( 0.000 -18.050 -5.533) 18.879 21.873 ( 0.000 6.673 6.381) 9.233 21.981 ( 0.000 3.338 12.372) 12.814 22.000 ( 0.000 4.369 -5.607) 7.108 22.176 ( 0.000 1.621 -6.261) 6.467 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 0.274 2.562 9.873) 10.204 2.616 ( -0.509 -1.898 -0.896) 2.160 2.910 ( 2.429 -0.047 11.325) 11.582 3.004 ( 2.493 -2.224 1.209) 3.553 3.218 ( 5.779 7.002 1.814) 9.258 3.376 ( 5.224 2.668 -13.220) 14.463 3.541 ( -8.021 -3.116 0.900) 8.652 3.602 ( -7.836 -3.984 -3.774) 9.567 4.030 ( -3.220 -3.865 0.300) 5.040 4.083 ( -4.154 -3.860 -5.972) 8.235 4.255 ( 2.749 -3.075 3.928) 5.696 4.341 ( 2.994 -5.703 -3.639) 7.398 6.852 ( 7.247 0.209 11.665) 13.734 6.983 ( 6.978 -2.886 0.712) 7.585 7.246 ( 11.542 6.281 12.534) 18.159 7.345 ( 13.467 7.399 3.916) 15.857 7.661 ( 12.046 4.260 16.512) 20.878 7.939 ( 7.448 -7.018 -6.034) 11.880 8.299 ( 5.224 1.143 -1.417) 5.532 8.535 ( 12.951 3.804 -19.390) 23.626 8.598 ( 7.556 5.419 7.377) 11.869 8.863 ( 7.366 5.002 -14.936) 17.389 9.461 ( 10.777 -3.864 23.982) 26.574 9.855 ( 5.212 -14.808 5.243) 16.550 10.355 ( -1.704 8.137 -9.546) 12.658 10.421 ( -2.045 -6.521 -3.075) 7.494 10.664 ( 0.042 4.212 9.658) 10.536 10.964 ( 7.283 11.397 -10.637) 17.207 11.199 ( -0.466 4.741 13.437) 14.257 11.757 ( -13.590 -2.837 -32.824) 35.639 12.541 ( -13.632 -9.404 13.257) 21.214 12.693 ( -9.776 -3.793 3.778) 11.146 12.716 ( -4.789 6.170 6.638) 10.250 12.891 ( -1.023 11.388 -8.257) 14.104 13.082 ( -12.606 3.306 6.826) 14.712 13.163 ( -3.610 2.980 8.757) 9.930 13.284 ( -7.478 0.578 -10.973) 13.292 13.438 ( -2.894 -1.741 -13.461) 13.879 13.841 ( -7.937 -2.306 6.439) 10.478 14.088 ( 1.237 -5.217 -13.038) 14.097 14.186 ( 8.060 -11.864 13.344) 19.591 14.525 ( 1.728 -11.485 -16.516) 20.190 14.747 ( 19.678 10.916 17.499) 28.506 15.075 ( 16.943 7.366 -13.025) 22.604 15.591 ( -16.985 15.336 23.667) 32.921 16.147 ( -19.733 11.753 -28.512) 36.613 16.900 ( 9.750 -2.394 32.340) 33.863 17.036 ( 16.857 3.824 32.196) 36.542 17.430 ( 1.076 -0.771 22.824) 22.863 17.569 ( 2.234 -3.106 -26.734) 27.006 17.731 ( 16.673 3.835 -28.860) 33.550 17.914 ( -0.365 -1.982 -19.751) 19.854 18.385 ( 14.542 -7.458 10.688) 19.528 18.595 ( 16.717 -5.892 -9.614) 20.164 18.783 ( 1.074 -18.365 5.837) 19.300 18.901 ( 0.952 -17.538 -5.699) 18.466 21.744 ( -12.049 7.559 4.583) 14.944 21.839 ( -14.828 5.420 -4.310) 16.366 21.904 ( -7.183 3.030 12.164) 14.448 22.104 ( -6.782 1.470 -6.837) 9.742 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -3.491 2.400 9.275) 10.197 2.630 ( 0.493 0.183 -6.479) 6.501 2.986 ( 1.542 -3.773 5.146) 6.565 3.007 ( 0.071 -3.282 4.175) 5.311 3.233 ( -6.217 1.712 2.817) 7.037 3.341 ( -3.210 7.318 -6.776) 10.477 3.504 ( 2.714 -2.721 1.532) 4.137 3.604 ( 6.875 -1.028 -7.252) 10.046 3.918 ( -6.796 -2.959 -1.613) 7.586 3.959 ( -7.232 -3.387 -6.157) 10.083 4.338 ( 5.119 -5.104 5.162) 8.882 4.420 ( 4.237 -6.407 -2.673) 8.133 7.049 ( 10.790 5.118 14.053) 18.442 7.168 ( 9.961 2.266 3.739) 10.878 7.425 ( 5.765 14.441 12.882) 20.192 7.610 ( 7.754 3.896 -4.137) 9.613 7.867 ( 4.622 1.801 2.905) 5.749 8.120 ( 6.866 4.524 -15.403) 17.461 8.610 ( 22.769 -5.705 18.340) 29.788 8.832 ( 19.038 5.024 0.389) 19.693 8.930 ( 24.173 6.393 0.667) 25.013 9.195 ( 21.818 -7.313 -19.640) 30.253 9.730 ( 14.072 -5.786 22.284) 26.983 9.973 ( 5.294 -8.840 18.895) 21.522 10.292 ( -1.439 -10.631 -9.586) 14.387 10.474 ( 5.695 -6.436 -14.255) 16.645 10.681 ( 0.737 -2.716 11.119) 11.469 11.058 ( 1.413 5.955 -8.787) 10.708 11.226 ( 0.753 11.713 -6.261) 13.303 11.433 ( -12.645 5.183 -18.673) 23.140 12.212 ( -15.927 -1.800 13.082) 20.689 12.377 ( -16.822 -3.898 -0.296) 17.270 12.665 ( -5.997 1.369 6.192) 8.728 12.769 ( -11.672 8.809 5.906) 15.771 12.863 ( -2.510 3.026 -1.847) 4.344 13.037 ( -8.680 6.265 -2.398) 10.970 13.175 ( -1.453 9.992 -7.766) 12.738 13.331 ( -6.896 4.555 -13.794) 16.081 13.573 ( -15.684 -2.182 7.214) 17.401 13.835 ( -20.325 0.007 -15.052) 25.292 14.517 ( 20.326 -19.830 14.226) 31.761 14.779 ( 17.790 -19.752 -9.351) 28.180 15.179 ( 12.417 11.819 14.500) 22.453 15.264 ( -5.521 13.669 17.724) 23.053 15.450 ( 15.643 2.368 -7.946) 17.705 15.716 ( -18.924 12.183 -23.914) 32.839 16.980 ( -0.491 4.839 24.803) 25.276 17.448 ( -1.836 -0.608 -10.746) 10.919 17.551 ( 23.733 2.610 27.744) 36.603 17.619 ( 11.119 -4.544 12.525) 17.353 17.980 ( 10.504 -6.305 -11.284) 16.656 18.195 ( 21.426 4.102 -26.837) 34.585 18.739 ( 17.308 -7.945 11.680) 22.340 18.816 ( 2.480 -17.965 5.327) 18.901 18.898 ( 4.427 -16.987 -3.091) 17.825 19.012 ( 15.321 -6.010 -13.510) 21.292 21.387 ( -21.485 9.834 -0.080) 23.629 21.411 ( -24.576 8.685 -2.326) 26.169 21.696 ( -12.105 2.369 11.204) 16.664 21.902 ( -12.061 1.146 -8.315) 14.695 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -2.068 4.181 7.579) 8.900 2.599 ( -3.875 2.284 -10.565) 11.482 2.910 ( -3.521 -2.325 3.573) 5.529 3.019 ( -3.404 -4.065 -5.453) 7.606 3.182 ( 3.311 -0.964 8.513) 9.186 3.316 ( 0.357 2.237 -3.970) 4.571 3.592 ( 4.133 0.146 5.268) 6.698 3.704 ( 1.543 1.822 -3.246) 4.030 3.777 ( -5.232 -2.320 -4.761) 7.445 3.805 ( -6.691 -2.324 -6.134) 9.370 4.452 ( 5.088 -7.828 3.664) 10.029 4.503 ( 3.332 -7.739 -1.222) 8.514 7.278 ( 10.253 7.349 13.981) 18.831 7.369 ( 8.604 5.876 5.661) 11.857 7.536 ( 5.403 14.400 6.038) 16.523 7.665 ( -0.185 7.291 -7.509) 10.468 7.887 ( -1.471 5.302 -1.345) 5.664 8.111 ( -6.948 13.885 -18.727) 24.326 9.121 ( 23.531 -9.201 26.956) 36.946 9.348 ( 25.163 0.103 15.647) 29.631 9.508 ( 26.322 -10.177 3.274) 28.410 9.644 ( 19.758 -14.027 -19.357) 31.013 10.015 ( 11.499 -12.129 22.732) 28.215 10.070 ( 4.465 3.749 21.858) 22.623 10.373 ( 9.141 -6.104 -12.575) 16.702 10.515 ( -2.121 -16.017 -8.632) 18.318 10.763 ( 1.957 -4.233 -9.776) 10.831 10.939 ( -3.083 0.260 -18.822) 19.075 11.249 ( 1.957 9.438 2.177) 9.881 11.340 ( -1.368 12.574 -7.783) 14.851 11.939 ( -8.642 4.648 7.363) 12.268 12.035 ( -13.796 0.058 -0.741) 13.816 12.470 ( -8.992 -0.647 3.257) 9.586 12.568 ( -9.049 6.078 -2.760) 11.245 12.796 ( -8.062 -0.232 -2.640) 8.487 12.819 ( -13.557 6.459 -2.704) 15.259 13.137 ( -4.681 15.132 -3.818) 16.293 13.192 ( -1.972 11.046 -7.293) 13.382 13.284 ( -9.118 -0.652 4.478) 10.179 13.458 ( -12.805 -1.871 -10.608) 16.733 14.865 ( -0.411 10.075 10.437) 14.512 14.977 ( 10.782 -9.881 9.497) 17.438 15.223 ( 2.462 -4.409 -8.720) 10.077 15.327 ( 0.778 -1.797 -11.202) 11.372 15.622 ( 13.471 0.049 8.035) 15.686 15.725 ( 7.263 -7.535 -0.578) 10.481 16.924 ( -3.212 16.964 16.351) 23.780 17.260 ( -11.651 7.697 -15.008) 20.499 18.009 ( 21.748 -12.997 16.068) 30.001 18.071 ( 22.800 -6.305 17.755) 29.578 18.314 ( 19.969 -8.526 1.013) 21.736 18.574 ( 13.513 2.203 -14.129) 19.675 18.885 ( 3.924 -15.717 4.279) 16.755 18.961 ( 3.628 -14.767 -2.834) 15.468 19.065 ( 12.729 -7.528 13.491) 20.018 19.322 ( 11.693 -5.311 -10.315) 16.472 20.836 ( -27.393 13.995 -1.964) 30.824 20.908 ( -23.912 14.097 -7.970) 28.879 21.433 ( -11.612 1.697 7.605) 13.984 21.620 ( -13.988 0.873 -9.650) 17.017 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 1.996 5.284 2.186) 6.057 2.487 ( -5.565 4.573 -5.287) 8.935 2.888 ( 1.130 -1.244 -0.921) 1.916 2.939 ( -3.402 -1.643 -4.885) 6.175 3.271 ( 3.838 -3.250 4.526) 6.766 3.321 ( -0.720 -2.247 0.068) 2.361 3.637 ( -0.404 -2.959 1.555) 3.367 3.650 ( -2.769 -3.437 -0.916) 4.508 3.729 ( 0.323 3.420 -3.360) 4.805 3.750 ( -0.512 4.525 -3.678) 5.854 4.531 ( 2.293 -9.482 1.873) 9.933 4.548 ( 0.727 -9.197 0.331) 9.232 7.436 ( 5.012 6.296 8.265) 11.536 7.507 ( 0.241 4.663 1.177) 4.815 7.627 ( 7.769 14.712 2.228) 16.786 7.734 ( 6.324 13.757 -1.542) 15.219 7.818 ( -5.519 7.511 -4.778) 10.474 7.907 ( -10.299 15.718 -9.570) 21.088 9.527 ( 14.116 -18.870 19.626) 30.667 9.668 ( 2.959 -20.200 11.549) 23.456 9.896 ( 10.780 -14.386 20.397) 27.188 9.997 ( 8.147 0.654 19.638) 21.271 10.125 ( 5.919 -18.925 -2.756) 20.020 10.237 ( 4.305 1.914 5.962) 7.598 10.426 ( -0.507 -7.613 -14.217) 16.135 10.519 ( -3.244 -7.929 -10.570) 13.606 10.791 ( 10.508 7.747 1.647) 13.158 11.000 ( -3.675 7.928 -10.668) 13.790 11.281 ( 2.894 6.023 -7.634) 10.146 11.309 ( -0.618 6.656 -8.856) 11.095 11.835 ( -0.534 -3.148 0.029) 3.193 11.893 ( -1.815 -1.821 -4.945) 5.574 12.351 ( -1.223 3.975 0.508) 4.190 12.420 ( -3.571 6.053 -6.056) 9.277 12.487 ( -13.759 5.266 -0.440) 14.739 12.522 ( -12.495 8.535 -3.740) 15.587 13.133 ( 2.910 15.357 0.726) 15.647 13.173 ( -1.105 7.518 -0.182) 7.601 13.205 ( 0.094 1.480 -1.779) 2.316 13.274 ( -5.952 -1.346 -5.619) 8.295 14.809 ( 0.861 23.886 0.185) 23.902 14.927 ( -9.653 22.046 -10.430) 26.229 15.381 ( 13.415 -24.905 12.498) 30.926 15.524 ( 2.959 -26.549 1.477) 26.754 15.801 ( 2.058 -13.192 1.231) 13.409 15.813 ( 3.556 -8.557 2.343) 9.558 16.902 ( 2.023 24.643 5.782) 25.393 17.025 ( -9.444 18.524 -5.979) 21.635 18.376 ( 10.933 -19.508 7.443) 23.569 18.426 ( 7.565 -25.025 2.887) 26.303 18.744 ( 18.840 -7.136 8.612) 21.909 18.808 ( 10.687 -1.515 3.602) 11.379 18.937 ( -0.683 -11.408 6.012) 12.913 18.997 ( -3.301 -10.778 1.029) 11.319 19.284 ( 9.200 -4.090 15.520) 18.500 19.440 ( -2.115 -4.740 4.006) 6.557 20.383 ( -11.090 21.437 -11.440) 26.710 20.463 ( -15.952 19.618 -16.153) 30.004 21.273 ( -2.239 1.170 -0.472) 2.570 21.358 ( -9.609 0.863 -8.030) 12.552 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 0.000 3.457 6.206) 7.104 2.580 ( 0.000 -1.515 6.000) 6.189 2.867 ( 0.000 -0.988 7.889) 7.950 2.967 ( 0.000 0.400 0.333) 0.520 3.275 ( 0.000 3.678 0.801) 3.765 3.376 ( 0.000 2.260 -8.659) 8.949 3.565 ( 0.000 -2.003 0.113) 2.006 3.656 ( 0.000 -0.885 -6.037) 6.102 3.946 ( 0.000 -3.888 3.254) 5.070 4.026 ( 0.000 -5.384 -5.397) 7.623 4.170 ( 0.000 -4.801 -2.888) 5.602 4.182 ( 0.000 -7.473 -3.955) 8.455 6.734 ( 0.000 -1.326 5.059) 5.230 6.814 ( 0.000 -3.941 -2.350) 4.588 7.113 ( 0.000 2.221 13.187) 13.373 7.259 ( 0.000 0.467 0.338) 0.577 7.716 ( 0.000 10.736 14.245) 17.837 7.820 ( 0.000 1.951 3.789) 4.262 8.275 ( 0.000 -4.985 -7.404) 8.926 8.341 ( 0.000 -2.205 -10.044) 10.283 8.668 ( 0.000 11.762 8.486) 14.504 8.976 ( 0.000 5.759 -17.413) 18.340 9.285 ( 0.000 -1.588 23.015) 23.070 9.530 ( 0.000 -12.523 3.235) 12.934 10.411 ( 0.000 3.720 11.284) 11.881 10.669 ( 0.000 10.347 8.891) 13.642 10.895 ( 0.000 10.837 -12.192) 16.312 11.043 ( 0.000 14.387 -8.649) 16.787 11.248 ( 0.000 3.993 12.218) 12.854 11.820 ( 0.000 -5.893 -35.444) 35.931 12.440 ( 0.000 -13.407 9.740) 16.571 12.605 ( 0.000 -17.969 -4.573) 18.542 12.890 ( 0.000 -14.804 8.006) 16.831 12.989 ( 0.000 -8.508 1.047) 8.572 13.161 ( 0.000 8.916 2.750) 9.330 13.256 ( 0.000 17.252 -5.790) 18.198 13.367 ( 0.000 3.384 1.315) 3.631 13.387 ( 0.000 1.901 -3.147) 3.676 13.900 ( 0.000 3.083 10.496) 10.939 14.029 ( 0.000 -3.486 13.416) 13.861 14.242 ( 0.000 10.324 -17.887) 20.652 14.412 ( 0.000 -4.510 -17.437) 18.011 14.648 ( 0.000 3.585 15.029) 15.450 14.937 ( 0.000 -2.538 -12.796) 13.046 16.221 ( 0.000 24.840 20.500) 32.207 16.680 ( 0.000 9.153 -0.273) 9.157 16.733 ( 0.000 11.920 9.247) 15.086 16.898 ( 0.000 -0.177 29.916) 29.916 17.419 ( 0.000 -0.124 21.304) 21.304 17.480 ( 0.000 4.157 -27.571) 27.882 17.639 ( 0.000 0.269 -29.430) 29.431 17.865 ( 0.000 -5.317 -19.641) 20.348 18.005 ( 0.000 -15.816 12.511) 20.166 18.247 ( 0.000 -8.598 -8.700) 12.232 18.347 ( 0.000 -21.954 5.069) 22.532 18.451 ( 0.000 -25.912 -6.041) 26.607 22.007 ( 0.000 6.134 5.970) 8.560 22.071 ( 0.000 5.866 7.697) 9.678 22.085 ( 0.000 3.697 -2.374) 4.394 22.211 ( 0.000 1.656 -4.612) 4.900 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -1.023 1.381 6.309) 6.539 2.605 ( 1.977 1.264 1.144) 2.611 2.895 ( 2.600 0.113 9.306) 9.663 2.998 ( 0.827 0.586 0.068) 1.016 3.280 ( 0.683 -2.953 4.461) 5.393 3.405 ( -0.937 -8.443 -4.195) 9.475 3.504 ( -0.363 7.866 -5.434) 9.567 3.575 ( -5.477 3.969 -6.544) 9.411 3.940 ( -2.339 -4.593 0.718) 5.204 3.991 ( -3.661 -5.305 -5.390) 8.402 4.180 ( 1.558 -4.891 -0.579) 5.165 4.215 ( 2.920 -6.830 -3.499) 8.211 6.869 ( 12.032 1.487 6.087) 13.566 6.950 ( 12.079 -0.875 -1.622) 12.219 7.332 ( 18.217 3.494 13.915) 23.189 7.491 ( 18.395 4.856 0.123) 19.025 7.784 ( 6.472 7.833 11.308) 15.202 7.862 ( 5.081 0.552 2.457) 5.671 8.283 ( 3.939 -1.846 0.319) 4.362 8.481 ( 10.884 -6.940 -12.869) 18.228 8.788 ( 11.025 10.186 4.422) 15.648 8.973 ( 0.655 4.664 -4.683) 6.642 9.409 ( 10.860 -1.656 12.961) 16.990 9.598 ( 6.477 -10.843 3.609) 13.136 10.351 ( -5.026 0.452 3.406) 6.089 10.515 ( -14.642 9.693 -11.892) 21.208 10.734 ( -4.790 2.304 21.322) 21.974 11.162 ( 2.067 7.206 -0.982) 7.561 11.344 ( 6.599 9.775 -8.920) 14.787 11.671 ( -11.321 -5.805 -26.849) 29.711 12.352 ( -6.098 -8.062 9.118) 13.613 12.495 ( -5.479 -8.868 -2.536) 10.728 12.924 ( -7.124 4.987 6.971) 11.145 13.059 ( -10.522 2.449 -1.222) 10.872 13.110 ( 0.019 -11.134 3.096) 11.556 13.128 ( 4.472 -3.466 -1.734) 5.918 13.361 ( -1.311 10.414 1.372) 10.586 13.461 ( 2.803 11.931 -6.619) 13.929 13.818 ( -4.403 0.163 5.501) 7.047 14.016 ( -4.400 -5.904 7.517) 10.523 14.064 ( -2.883 4.059 -9.298) 10.547 14.389 ( -7.134 -2.821 -18.790) 20.296 14.863 ( 16.882 0.875 13.781) 21.810 15.089 ( 12.384 -5.532 -7.441) 15.470 15.989 ( -15.372 24.364 20.340) 35.265 16.456 ( -17.377 19.337 -22.615) 34.457 16.877 ( 8.217 -0.046 27.637) 28.833 17.103 ( 18.736 3.333 26.880) 32.934 17.421 ( 0.033 -0.744 12.965) 12.987 17.539 ( 2.902 0.938 -14.300) 14.621 17.751 ( 4.991 -3.635 -21.235) 22.114 17.902 ( 10.895 1.914 -23.649) 26.109 18.167 ( 13.635 -16.261 14.088) 25.472 18.359 ( 2.254 -21.107 5.127) 21.837 18.420 ( 7.486 -15.368 -2.789) 17.320 18.516 ( 11.147 -16.975 -15.660) 25.644 21.900 ( -10.100 7.422 3.726) 13.076 21.949 ( -12.537 5.145 -1.492) 13.634 21.982 ( -8.196 4.913 8.383) 12.712 22.133 ( -7.214 1.269 -5.368) 9.081 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -1.543 3.489 5.825) 6.963 2.642 ( 1.404 0.980 -4.845) 5.138 2.934 ( -1.530 -0.901 2.968) 3.459 2.975 ( -0.604 -0.077 1.576) 1.689 3.212 ( -6.082 -3.910 9.182) 11.687 3.382 ( 0.153 -7.776 -1.044) 7.848 3.499 ( 0.077 6.434 -2.686) 6.972 3.628 ( 7.769 3.199 -9.483) 12.669 3.836 ( -6.842 -4.651 -1.076) 8.342 3.884 ( -5.885 -3.811 -6.108) 9.299 4.234 ( 3.118 -5.125 2.211) 6.393 4.286 ( 3.382 -6.763 -2.552) 7.981 7.177 ( 15.519 7.375 8.319) 19.090 7.254 ( 15.152 5.814 0.344) 16.233 7.708 ( 13.235 7.686 9.906) 18.231 7.751 ( 6.713 16.994 5.444) 19.065 7.934 ( 6.117 5.646 3.778) 9.142 8.173 ( 20.107 -0.619 -8.744) 21.935 8.501 ( 17.674 -5.851 14.928) 23.863 8.804 ( 20.947 -10.211 -9.271) 25.080 9.009 ( 4.903 0.612 6.909) 8.494 9.099 ( 14.362 -1.214 -3.248) 14.775 9.688 ( 12.742 2.125 5.590) 14.076 9.801 ( 13.207 -6.101 3.762) 15.027 10.153 ( -8.394 -2.906 0.458) 8.895 10.356 ( -1.096 -3.424 -9.003) 9.694 10.641 ( -2.998 -3.285 14.566) 15.230 11.066 ( -11.881 -6.409 -15.771) 20.759 11.378 ( -1.029 5.013 -1.821) 5.432 11.534 ( -2.499 2.804 -10.032) 10.712 12.239 ( -5.063 6.037 8.847) 11.847 12.369 ( -8.999 4.454 -1.810) 10.203 12.658 ( -13.300 0.379 2.554) 13.549 12.780 ( -10.897 -3.544 -9.485) 14.875 13.071 ( -4.477 9.339 13.609) 17.102 13.212 ( 0.644 3.464 2.175) 4.141 13.332 ( -4.838 1.745 -7.678) 9.241 13.367 ( -9.600 7.066 -12.619) 17.358 13.684 ( -5.328 15.656 5.876) 17.550 13.903 ( -13.795 6.432 -13.284) 20.202 14.165 ( 13.859 -13.965 10.827) 22.457 14.397 ( 12.687 -17.275 -10.207) 23.740 15.221 ( 15.290 -6.548 9.434) 19.122 15.329 ( 8.745 -13.376 -0.687) 15.996 15.688 ( -12.610 27.196 15.905) 33.935 16.078 ( -17.594 23.993 -20.403) 36.076 17.084 ( 11.352 1.692 19.561) 22.680 17.438 ( 3.489 -1.831 -6.278) 7.412 17.463 ( 9.043 -5.219 13.054) 16.716 17.668 ( 6.547 4.245 6.281) 10.017 17.823 ( 11.587 -6.791 2.491) 13.660 18.259 ( 16.366 -1.182 -18.792) 24.948 18.410 ( 6.964 -21.034 8.234) 23.638 18.522 ( 12.218 -14.518 4.644) 19.535 18.552 ( 11.962 -13.101 2.206) 17.877 18.867 ( 17.670 -8.829 -17.580) 26.443 21.581 ( -20.705 8.892 0.408) 22.537 21.605 ( -18.061 10.447 -1.762) 20.939 21.750 ( -13.249 2.989 8.665) 16.111 21.921 ( -12.613 0.425 -7.244) 14.552 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 0.020 6.218 4.993) 7.974 2.655 ( -0.707 3.082 -8.584) 9.147 2.867 ( -2.589 -1.722 2.721) 4.132 2.946 ( -2.624 -3.333 -4.125) 5.917 3.161 ( 1.246 -0.494 10.371) 10.457 3.344 ( -2.733 0.421 -5.870) 6.488 3.543 ( 1.210 -5.570 5.591) 7.984 3.677 ( -7.232 -6.352 -3.558) 10.262 3.776 ( 4.759 3.438 -5.672) 8.164 3.791 ( -0.780 1.796 -4.551) 4.954 4.292 ( 2.113 -7.678 2.990) 8.506 4.341 ( 1.576 -8.146 -1.551) 8.441 7.460 ( 10.582 10.899 9.478) 17.906 7.536 ( 10.734 10.786 0.906) 15.245 7.823 ( 3.792 14.561 4.145) 15.607 7.940 ( 7.633 20.351 -0.652) 21.745 8.028 ( 2.889 8.802 9.605) 13.344 8.402 ( 1.874 12.737 -18.240) 22.326 8.924 ( 15.553 -9.597 19.091) 26.428 9.133 ( 9.067 -19.078 8.684) 22.838 9.293 ( 11.456 -12.244 3.645) 17.159 9.371 ( 20.746 -14.462 -12.261) 28.104 9.796 ( 2.009 -8.736 18.116) 20.213 10.140 ( 8.420 -13.183 -13.703) 20.795 10.209 ( 13.616 7.266 11.435) 19.208 10.388 ( 4.904 0.821 -3.607) 6.143 10.651 ( 2.615 -7.452 2.942) 8.427 10.910 ( 5.540 -4.066 -15.481) 16.938 11.334 ( -3.710 0.630 3.600) 5.207 11.448 ( -5.643 -0.681 -6.205) 8.415 12.068 ( -11.926 7.249 1.355) 14.022 12.110 ( -13.111 6.657 -3.519) 15.119 12.479 ( -3.618 2.723 1.793) 4.870 12.627 ( -5.939 1.359 -12.787) 14.164 12.920 ( -11.107 9.862 5.734) 15.922 12.996 ( -16.826 6.236 -2.567) 18.127 13.193 ( -2.515 2.505 2.842) 4.547 13.308 ( -1.271 3.303 -7.735) 8.506 13.577 ( -5.888 22.651 0.529) 23.410 13.670 ( -4.396 22.567 -6.928) 24.013 14.521 ( 17.853 -22.377 12.251) 31.138 14.735 ( 16.175 -24.104 -7.352) 29.945 15.429 ( 1.318 -18.983 5.038) 19.684 15.454 ( 4.010 -4.142 3.906) 6.964 15.483 ( -4.453 17.879 7.318) 19.825 15.741 ( -14.085 28.809 -15.535) 35.632 17.293 ( 7.207 16.304 10.430) 20.653 17.477 ( -0.729 12.746 -7.000) 14.559 17.606 ( 7.588 -23.619 8.630) 26.266 17.748 ( 3.718 -25.300 -3.566) 25.820 18.255 ( 22.960 0.978 20.082) 30.519 18.509 ( 9.455 -11.644 0.586) 15.011 18.580 ( 8.995 -14.636 6.976) 18.541 18.788 ( 12.802 0.124 -12.913) 18.184 18.869 ( 14.449 -11.653 15.868) 24.421 19.188 ( 11.857 -8.115 -12.781) 19.230 21.118 ( -21.457 13.804 -0.505) 25.519 21.199 ( -19.640 14.647 -7.508) 25.625 21.464 ( -12.627 1.090 5.944) 13.999 21.629 ( -14.348 -0.414 -9.118) 17.005 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 2.412 8.055 1.717) 8.582 2.603 ( -3.547 7.028 -4.077) 8.866 2.857 ( 1.318 -1.899 -0.172) 2.318 2.897 ( -2.104 -2.659 -3.016) 4.538 3.216 ( 3.337 -1.780 3.267) 4.998 3.284 ( -2.987 -1.035 -2.769) 4.203 3.523 ( -1.284 -8.170 0.385) 8.279 3.548 ( -4.087 -6.965 -2.087) 8.341 3.826 ( 3.180 5.956 -0.077) 6.752 3.854 ( 1.196 6.047 -2.118) 6.518 4.325 ( 1.249 -10.841 1.960) 11.087 4.348 ( -0.726 -10.466 -0.154) 10.493 7.617 ( 4.741 12.306 7.130) 14.992 7.661 ( 1.091 11.383 2.354) 11.675 7.928 ( 5.744 16.162 2.355) 17.314 8.010 ( -1.348 12.242 -1.801) 12.447 8.132 ( 7.977 25.467 3.709) 26.944 8.316 ( -8.233 24.532 -11.335) 28.250 9.109 ( 5.589 -21.977 8.708) 24.291 9.198 ( -2.471 -24.932 1.271) 25.086 9.534 ( 12.613 -21.026 15.956) 29.253 9.703 ( 0.551 -22.456 5.402) 23.103 9.890 ( 10.008 -15.411 5.183) 19.092 10.086 ( -7.345 -19.491 -11.243) 23.670 10.453 ( 6.529 8.131 7.273) 12.714 10.504 ( 3.243 9.339 2.576) 10.216 10.872 ( 16.120 0.827 12.160) 20.209 11.149 ( -4.425 6.275 -0.466) 7.693 11.286 ( 10.756 -5.233 -12.132) 17.037 11.379 ( 2.219 1.476 -11.521) 11.826 11.798 ( -10.621 -0.541 -6.370) 12.396 11.857 ( -11.875 -2.234 -10.188) 15.805 12.445 ( -0.163 5.777 0.278) 5.786 12.497 ( -5.221 4.221 -5.007) 8.376 12.689 ( -6.949 8.861 -0.449) 11.269 12.704 ( -8.844 6.153 -2.506) 11.061 13.196 ( 2.048 8.843 3.416) 9.699 13.256 ( -3.303 9.317 -1.850) 10.057 13.545 ( 2.286 24.269 0.346) 24.379 13.609 ( -2.963 24.610 -4.772) 25.243 14.855 ( 12.693 -26.619 10.789) 31.402 14.972 ( 3.684 -27.656 1.194) 27.925 15.399 ( 0.195 33.355 0.918) 33.368 15.437 ( 0.817 -19.457 0.939) 19.497 15.496 ( -4.675 7.513 -5.378) 10.355 15.507 ( -5.318 1.167 -5.638) 7.838 17.389 ( 2.769 23.738 5.021) 24.420 17.437 ( -2.209 21.586 0.180) 21.699 17.757 ( 5.289 -36.859 3.142) 37.368 17.804 ( 0.741 -36.758 -1.203) 36.785 18.644 ( 10.181 -10.349 8.165) 16.656 18.673 ( 4.998 -14.072 4.624) 15.633 18.781 ( 10.758 -0.645 11.657) 15.876 18.935 ( -0.516 3.099 -1.258) 3.384 19.152 ( 12.262 -8.461 14.690) 20.922 19.314 ( -1.109 -7.677 0.695) 7.788 20.783 ( -7.661 18.789 -7.043) 21.478 20.844 ( -12.154 18.456 -11.660) 24.986 21.286 ( -2.875 -0.335 -1.358) 3.198 21.364 ( -9.517 -0.806 -8.169) 12.569 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 0.000 1.714 5.970) 6.212 2.607 ( 0.000 0.383 3.942) 3.961 2.891 ( 0.000 2.935 6.606) 7.229 2.947 ( 0.000 -2.253 2.230) 3.170 3.252 ( 0.000 -2.779 -2.307) 3.612 3.282 ( 0.000 -6.247 -4.466) 7.679 3.705 ( 0.000 11.738 -2.989) 12.113 3.753 ( 0.000 8.917 -4.555) 10.013 3.889 ( 0.000 -3.748 -0.490) 3.780 3.910 ( 0.000 -8.197 -3.920) 9.086 4.049 ( 0.000 -4.528 -3.489) 5.716 4.058 ( 0.000 -5.231 -4.000) 6.585 6.726 ( 0.000 0.537 0.647) 0.841 6.754 ( 0.000 -2.318 -2.064) 3.104 7.165 ( 0.000 3.115 10.007) 10.481 7.226 ( 0.000 -2.981 4.850) 5.693 7.881 ( 0.000 5.044 2.371) 5.573 7.886 ( 0.000 3.332 0.041) 3.332 8.216 ( 0.000 -0.374 0.153) 0.404 8.267 ( 0.000 -4.508 -2.138) 4.989 8.880 ( 0.000 9.553 10.099) 13.901 9.006 ( 0.000 -2.817 0.946) 2.971 9.271 ( 0.000 0.519 5.804) 5.827 9.336 ( 0.000 -6.990 -2.321) 7.366 10.552 ( 0.000 9.611 23.451) 25.344 10.707 ( 0.000 -4.828 28.427) 28.834 11.191 ( 0.000 14.543 -18.758) 23.735 11.263 ( 0.000 6.361 -8.553) 10.659 11.393 ( 0.000 11.484 -9.320) 14.790 11.656 ( 0.000 -12.213 -32.300) 34.532 12.245 ( 0.000 -5.015 3.529) 6.133 12.308 ( 0.000 -11.251 -1.686) 11.377 12.633 ( 0.000 -7.588 4.950) 9.060 12.688 ( 0.000 -12.349 -0.332) 12.354 13.354 ( 0.000 1.967 2.092) 2.871 13.358 ( 0.000 0.848 1.797) 1.987 13.537 ( 0.000 11.558 -1.462) 11.650 13.571 ( 0.000 8.227 -4.708) 9.478 13.969 ( 0.000 1.202 17.249) 17.291 13.970 ( 0.000 -1.650 16.871) 16.952 14.370 ( 0.000 1.468 -16.442) 16.508 14.396 ( 0.000 3.276 -20.320) 20.582 14.682 ( 0.000 2.829 6.497) 7.087 14.815 ( 0.000 -8.856 -7.064) 11.328 16.657 ( 0.000 13.556 21.619) 25.518 16.728 ( 0.000 0.795 27.818) 27.830 16.996 ( 0.000 16.430 22.715) 28.035 17.111 ( 0.000 20.069 -11.109) 22.939 17.385 ( 0.000 -5.652 3.927) 6.883 17.512 ( 0.000 -29.145 9.905) 30.782 17.583 ( 0.000 6.571 -17.004) 18.230 17.665 ( 0.000 1.130 -28.426) 28.449 17.784 ( 0.000 -4.432 -2.272) 4.980 17.952 ( 0.000 -20.310 -15.038) 25.271 18.092 ( 0.000 -4.389 -2.259) 4.936 18.121 ( 0.000 -6.279 -3.917) 7.400 22.095 ( 0.000 3.120 4.989) 5.884 22.124 ( 0.000 0.231 1.517) 1.534 22.177 ( 0.000 4.330 1.957) 4.752 22.224 ( 0.000 -0.631 -1.811) 1.918 ======================= Grid point 280 (97/100) ======================= q-point: ( 0.11 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 0.396 2.371 4.454) 5.061 2.625 ( 1.183 -0.171 1.736) 2.108 2.940 ( 3.978 4.273 8.267) 10.120 3.007 ( 4.592 -0.635 3.554) 5.842 3.168 ( -6.422 -4.448 -0.890) 7.862 3.220 ( -4.728 -8.298 -4.114) 10.399 3.694 ( -1.008 10.164 -5.656) 11.675 3.717 ( -3.169 8.391 -5.220) 10.378 3.858 ( -3.138 -4.707 -0.920) 5.731 3.878 ( -2.551 -6.961 -4.171) 8.506 4.087 ( 3.251 -3.157 -1.802) 4.877 4.102 ( 3.701 -4.295 -3.057) 6.441 6.903 ( 15.689 1.859 1.398) 15.861 6.933 ( 15.871 -1.185 -1.584) 15.994 7.404 ( 20.625 4.298 11.120) 23.823 7.488 ( 23.046 -3.681 4.425) 23.754 7.925 ( 4.536 6.398 3.508) 8.591 7.952 ( 5.623 4.699 -0.111) 7.328 8.248 ( 3.455 -0.524 2.297) 4.182 8.327 ( 5.682 -7.900 -3.677) 10.403 8.932 ( 4.532 5.242 9.183) 11.504 9.003 ( 0.006 -1.728 4.244) 4.582 9.395 ( 11.749 1.131 3.445) 12.295 9.456 ( 11.272 -4.819 -2.971) 12.614 10.443 ( -9.067 8.245 13.137) 17.966 10.596 ( -10.950 -5.041 14.299) 18.702 10.879 ( -17.384 15.707 -4.693) 23.894 11.161 ( -12.448 -9.399 -8.202) 17.623 11.495 ( 0.584 5.450 -13.115) 14.215 11.577 ( -2.294 -3.429 -13.966) 14.563 12.312 ( 6.325 4.943 2.855) 8.520 12.414 ( 7.684 -1.575 -6.681) 10.303 12.773 ( 10.889 -9.973 5.918) 15.908 12.841 ( 11.314 -13.469 -1.459) 17.650 13.086 ( -18.028 2.256 2.554) 18.347 13.113 ( -17.024 -0.442 -0.634) 17.041 13.642 ( 3.922 11.237 -0.476) 11.911 13.657 ( 2.037 6.941 -3.477) 8.026 13.826 ( -6.435 0.629 9.712) 11.667 13.923 ( -10.068 -5.540 8.474) 14.278 14.245 ( -2.018 12.868 -9.695) 16.237 14.387 ( -4.390 -0.201 -16.727) 17.295 14.817 ( 9.658 -2.424 6.499) 11.890 14.910 ( 6.689 -10.650 -2.706) 12.864 16.452 ( -11.710 21.511 20.785) 32.123 16.710 ( -4.426 -2.220 14.332) 15.164 16.982 ( -7.955 16.791 -7.550) 20.055 17.209 ( 10.496 7.848 8.738) 15.752 17.330 ( 1.015 -8.802 0.432) 8.871 17.546 ( 1.044 -15.742 -2.559) 15.983 17.642 ( 8.983 5.493 2.965) 10.939 17.798 ( 12.796 -11.964 7.455) 19.038 17.957 ( 10.906 -0.782 -7.601) 13.317 18.051 ( 3.808 -12.022 1.063) 12.655 18.186 ( 10.466 -0.807 -12.126) 16.038 18.296 ( 17.208 -9.137 -19.308) 27.430 21.997 ( -9.072 2.807 4.635) 10.567 22.012 ( -10.284 1.274 2.130) 10.579 22.082 ( -8.882 4.644 1.204) 10.095 22.138 ( -8.030 -1.147 -2.839) 8.594 ======================= Grid point 281 (98/100) ======================= q-point: ( 0.22 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 0.401 3.548 2.522) 4.372 2.647 ( 1.218 -1.020 -1.662) 2.299 2.955 ( -4.496 2.936 1.316) 5.529 2.998 ( -5.639 0.908 -2.902) 6.407 3.126 ( 3.410 -2.248 11.414) 12.123 3.209 ( 4.845 -8.606 3.802) 10.583 3.609 ( -6.257 4.488 -6.064) 9.801 3.664 ( -3.645 -0.844 -10.264) 10.925 3.794 ( -1.135 0.929 -0.395) 1.519 3.828 ( -1.644 -2.110 -4.384) 5.136 4.160 ( 2.971 -1.911 0.169) 3.536 4.180 ( 3.168 -3.811 -1.687) 5.235 7.301 ( 19.836 4.907 3.375) 20.710 7.338 ( 20.487 1.544 -0.421) 20.549 7.867 ( 18.557 9.727 12.871) 24.589 8.048 ( 20.518 -3.962 -0.943) 20.918 8.062 ( 9.853 11.879 6.183) 16.626 8.115 ( 12.517 4.611 2.691) 13.608 8.387 ( 11.207 -4.146 6.557) 13.630 8.534 ( 15.286 -15.277 -4.439) 22.063 9.008 ( 1.247 0.696 8.450) 8.570 9.052 ( 5.646 -3.473 4.404) 7.958 9.739 ( 18.598 2.351 -1.606) 18.815 9.768 ( 15.021 -0.246 -4.131) 15.581 10.201 ( -12.767 7.076 0.695) 14.613 10.330 ( -7.999 -3.171 -8.994) 12.447 10.610 ( -8.012 4.861 13.083) 16.093 10.842 ( -13.926 -14.996 -6.415) 21.447 11.452 ( -3.653 3.472 -2.334) 5.554 11.519 ( -4.548 -3.139 -5.818) 8.024 12.433 ( 0.820 11.591 2.681) 11.925 12.503 ( -5.840 5.729 -3.699) 8.978 12.681 ( -15.185 1.102 1.105) 15.265 12.720 ( -9.194 -2.759 -7.175) 11.985 13.031 ( 8.135 -4.672 4.989) 10.625 13.108 ( 7.621 -9.203 -2.921) 12.301 13.487 ( -13.145 10.511 2.158) 16.969 13.560 ( -11.484 7.933 -2.861) 14.247 13.808 ( 2.898 -8.655 0.083) 9.128 13.847 ( 5.586 -5.320 -2.327) 8.057 14.272 ( 1.027 15.805 -2.307) 16.006 14.311 ( 1.400 9.521 -5.598) 11.133 14.995 ( 5.395 -13.495 3.419) 14.930 15.011 ( 2.756 -15.598 1.694) 15.930 16.245 ( -7.582 29.146 15.020) 33.654 16.540 ( -10.242 16.393 -8.611) 21.161 16.901 ( 0.019 -11.394 7.537) 13.661 17.185 ( -4.422 -22.828 -14.738) 27.530 17.560 ( 12.015 10.925 10.746) 19.473 17.697 ( 9.884 0.096 0.129) 9.885 17.870 ( 11.969 6.092 13.499) 19.042 18.047 ( 9.032 -12.628 3.167) 15.845 18.124 ( 10.729 -5.260 11.031) 16.262 18.263 ( 16.131 -13.475 16.196) 26.535 18.529 ( 18.797 6.845 -21.786) 29.577 18.690 ( 18.569 -9.250 -21.044) 29.550 21.711 ( -17.307 4.392 2.925) 18.093 21.740 ( -14.990 1.994 3.087) 15.434 21.822 ( -15.249 5.208 -0.692) 16.128 21.903 ( -13.790 -2.555 -5.423) 15.037 ======================= Grid point 282 (99/100) ======================= q-point: ( 0.33 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 2.247 5.230 1.532) 5.895 2.687 ( 2.526 -0.623 -4.039) 4.804 2.855 ( -3.706 0.717 0.480) 3.805 2.890 ( -3.861 -2.572 -2.334) 5.193 3.192 ( 1.992 4.183 9.804) 10.844 3.303 ( 2.477 -5.644 4.416) 7.582 3.464 ( -7.007 0.307 -5.368) 8.832 3.542 ( -6.993 -6.550 -7.329) 12.063 3.834 ( 3.394 2.486 -2.423) 4.855 3.845 ( 4.766 1.851 -2.956) 5.906 4.190 ( -0.377 -2.294 1.610) 2.828 4.215 ( -0.121 -4.511 -0.700) 4.567 7.665 ( 14.182 9.120 5.760) 17.818 7.718 ( 14.545 5.345 0.640) 15.509 8.104 ( 5.283 10.914 9.247) 15.249 8.162 ( 2.741 6.314 4.986) 8.499 8.318 ( 11.439 13.499 4.995) 18.386 8.462 ( 13.165 -2.825 -5.768) 14.648 8.753 ( 17.843 -9.880 12.032) 23.680 8.848 ( 7.401 -10.339 5.428) 13.825 9.089 ( 7.141 -3.908 0.918) 8.192 9.163 ( 6.270 -5.549 -3.417) 9.043 9.697 ( -14.253 1.051 -3.648) 14.749 9.872 ( -7.899 -13.744 -16.903) 23.173 10.338 ( 17.690 6.396 11.881) 22.248 10.469 ( 17.912 -4.173 4.886) 19.030 10.555 ( 4.962 7.704 5.817) 10.854 10.767 ( 11.323 -10.475 -7.639) 17.213 11.343 ( -6.455 1.508 0.473) 6.645 11.395 ( -6.536 -3.465 -3.428) 8.154 12.173 ( -17.243 3.373 -4.209) 18.067 12.195 ( -17.843 1.334 -6.242) 18.950 12.579 ( -1.071 6.458 -1.218) 6.659 12.653 ( -3.564 -0.212 -8.841) 9.535 12.978 ( -12.438 -0.226 1.583) 12.541 13.012 ( -14.982 -2.667 -1.842) 15.328 13.397 ( 5.429 16.188 4.967) 17.782 13.510 ( 6.337 11.826 -4.072) 14.022 13.862 ( 1.344 -1.643 4.774) 5.225 13.964 ( 3.568 -3.668 -3.561) 6.235 14.329 ( 6.550 11.564 4.579) 14.056 14.444 ( 8.730 2.808 -5.566) 10.728 14.987 ( -3.005 -20.472 4.685) 21.215 15.064 ( -0.152 -22.373 -1.996) 22.463 16.139 ( -2.519 35.768 7.957) 36.729 16.342 ( -7.982 30.389 -10.670) 33.182 16.923 ( 1.133 -31.749 6.320) 32.391 17.094 ( -4.408 -33.869 -9.357) 35.413 17.775 ( 8.396 20.622 6.568) 23.214 17.840 ( 4.627 17.972 0.111) 18.559 18.147 ( 12.532 -14.521 9.239) 21.291 18.208 ( 7.498 -17.862 2.494) 19.532 18.471 ( 19.441 4.602 20.435) 28.578 18.633 ( 18.143 -10.953 20.128) 29.228 18.883 ( 13.450 6.725 -15.639) 21.696 19.029 ( 12.612 -8.195 -15.000) 21.242 21.333 ( -17.057 8.301 1.470) 19.027 21.412 ( -15.133 3.507 -2.111) 15.676 21.479 ( -16.087 3.631 -1.826) 16.592 21.588 ( -15.353 -4.228 -8.306) 17.960 ======================= Grid point 283 (100/100) ======================= q-point: ( 0.44 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 3.191 6.971 0.759) 7.704 2.729 ( 0.222 4.859 -2.868) 5.647 2.813 ( -0.047 -2.660 0.591) 2.725 2.837 ( -1.657 -3.484 -1.285) 4.066 3.227 ( 2.210 3.402 2.254) 4.641 3.296 ( -3.289 1.966 -2.811) 4.753 3.357 ( -1.372 -7.581 -0.326) 7.711 3.405 ( -5.193 -7.103 -3.746) 9.563 3.943 ( 5.717 5.745 0.769) 8.141 3.967 ( 4.769 4.673 -1.237) 6.790 4.150 ( -2.387 -6.278 2.012) 7.011 4.173 ( -3.403 -7.234 -0.071) 7.995 7.888 ( 6.854 14.581 5.955) 17.176 7.922 ( 4.356 14.022 2.836) 14.954 8.150 ( 0.831 0.443 7.059) 7.122 8.177 ( -1.114 1.482 4.032) 4.438 8.582 ( 13.280 15.627 4.679) 21.035 8.690 ( 7.407 9.472 -5.151) 13.081 8.854 ( -3.233 -1.819 2.258) 4.342 8.880 ( -6.734 -3.949 1.175) 7.895 9.208 ( 8.364 -5.591 5.458) 11.446 9.341 ( 1.947 -10.321 -4.976) 11.622 9.495 ( -0.876 -20.331 2.278) 20.477 9.649 ( -10.686 -23.989 -11.800) 28.791 10.626 ( 12.078 9.322 13.590) 20.432 10.719 ( 9.069 6.275 7.780) 13.496 10.853 ( 8.460 1.742 14.855) 17.184 11.049 ( -4.085 -12.327 6.970) 14.739 11.319 ( 16.848 5.386 -13.365) 22.169 11.384 ( 11.073 -1.211 -12.399) 16.667 11.793 ( -19.295 0.052 -12.266) 22.863 11.813 ( -19.317 -1.988 -13.168) 23.462 12.556 ( 0.163 5.021 -1.087) 5.139 12.580 ( -1.394 3.293 -3.609) 5.081 12.714 ( -9.190 -1.735 -1.269) 9.438 12.731 ( -9.518 -2.347 -2.971) 10.243 13.540 ( 6.464 23.235 6.283) 24.923 13.615 ( 0.730 23.311 0.214) 23.323 13.895 ( 3.048 0.981 4.555) 5.568 13.969 ( -2.602 1.276 -1.517) 3.271 14.506 ( 8.443 1.370 4.675) 9.748 14.593 ( 2.460 -1.300 -2.410) 3.681 14.933 ( 0.005 -26.634 1.613) 26.683 15.006 ( -4.706 -27.144 -4.179) 27.864 16.135 ( 1.947 40.437 0.847) 40.493 16.209 ( -4.895 39.241 -6.031) 40.003 16.946 ( 1.590 -41.541 1.357) 41.593 17.004 ( -3.822 -40.962 -4.007) 41.335 17.901 ( 3.340 24.022 5.112) 24.786 17.913 ( 1.940 23.275 3.804) 23.664 18.331 ( 4.482 -20.265 5.533) 21.480 18.337 ( 3.720 -20.324 4.939) 21.243 18.855 ( 15.168 6.063 14.235) 21.667 18.989 ( 14.199 -7.486 13.587) 21.029 19.033 ( -0.226 5.839 -0.394) 5.857 19.166 ( -0.817 -7.542 -0.794) 7.628 21.077 ( -5.305 11.768 -4.552) 13.687 21.138 ( -9.897 11.714 -9.475) 18.026 21.240 ( -4.377 -4.676 -2.832) 7.003 21.308 ( -9.788 -5.432 -8.585) 14.107 =================== 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 3/34020 10.0 942.944 908.143 896.235 0.000 0.000 0.000 3/34020 20.0 537.007 674.148 629.200 0.000 0.000 0.000 3/34020 30.0 226.402 313.592 277.647 0.000 0.000 0.000 3/34020 40.0 137.479 193.434 175.785 0.000 0.000 0.000 3/34020 50.0 97.004 135.092 126.453 0.000 0.000 0.000 3/34020 60.0 72.596 99.838 95.262 0.000 0.000 0.000 3/34020 70.0 56.159 76.281 73.613 0.000 0.000 0.000 3/34020 80.0 44.606 59.855 58.149 0.000 0.000 0.000 3/34020 90.0 36.290 48.123 46.942 0.000 0.000 0.000 3/34020 100.0 30.182 39.572 38.701 0.000 0.000 0.000 3/34020 110.0 25.610 33.218 32.544 0.000 0.000 0.000 3/34020 120.0 22.120 28.404 27.862 0.000 0.000 0.000 3/34020 130.0 19.408 24.688 24.239 0.000 0.000 0.000 3/34020 140.0 17.262 21.768 21.388 0.000 0.000 0.000 3/34020 150.0 15.537 19.434 19.107 0.000 0.000 0.000 3/34020 160.0 14.127 17.539 17.254 0.000 0.000 0.000 3/34020 170.0 12.959 15.978 15.726 0.000 0.000 0.000 3/34020 180.0 11.978 14.675 14.450 0.000 0.000 0.000 3/34020 190.0 11.144 13.573 13.372 0.000 0.000 0.000 3/34020 200.0 10.427 12.631 12.450 0.000 0.000 0.000 3/34020 210.0 9.804 11.818 11.653 0.000 0.000 0.000 3/34020 220.0 9.258 11.108 10.958 0.000 0.000 0.000 3/34020 230.0 8.775 10.485 10.348 0.000 0.000 0.000 3/34020 240.0 8.345 9.932 9.806 0.000 0.000 0.000 3/34020 250.0 7.959 9.439 9.323 0.000 0.000 0.000 3/34020 260.0 7.610 8.996 8.888 0.000 0.000 0.000 3/34020 270.0 7.294 8.596 8.496 0.000 0.000 0.000 3/34020 280.0 7.005 8.232 8.140 0.000 0.000 0.000 3/34020 290.0 6.740 7.900 7.814 0.000 0.000 0.000 3/34020 300.0 6.496 7.596 7.515 0.000 0.000 0.000 3/34020 310.0 6.270 7.316 7.241 0.000 0.000 0.000 3/34020 320.0 6.061 7.058 6.987 0.000 0.000 0.000 3/34020 330.0 5.866 6.818 6.751 0.000 0.000 0.000 3/34020 340.0 5.684 6.595 6.532 0.000 0.000 0.000 3/34020 350.0 5.514 6.387 6.327 0.000 0.000 0.000 3/34020 360.0 5.354 6.192 6.136 0.000 0.000 0.000 3/34020 370.0 5.204 6.010 5.956 0.000 0.000 0.000 3/34020 380.0 5.062 5.838 5.788 0.000 0.000 0.000 3/34020 390.0 4.928 5.677 5.629 0.000 0.000 0.000 3/34020 400.0 4.802 5.525 5.479 0.000 0.000 0.000 3/34020 410.0 4.682 5.381 5.337 0.000 0.000 0.000 3/34020 420.0 4.568 5.245 5.203 0.000 0.000 0.000 3/34020 430.0 4.460 5.115 5.075 0.000 0.000 0.000 3/34020 440.0 4.356 4.992 4.954 0.000 0.000 0.000 3/34020 450.0 4.258 4.876 4.839 0.000 0.000 0.000 3/34020 460.0 4.164 4.764 4.729 0.000 0.000 0.000 3/34020 470.0 4.075 4.658 4.625 0.000 0.000 0.000 3/34020 480.0 3.989 4.557 4.524 0.000 0.000 0.000 3/34020 490.0 3.907 4.460 4.429 0.000 0.000 0.000 3/34020 500.0 3.828 4.367 4.337 0.000 0.000 0.000 3/34020 510.0 3.752 4.278 4.249 0.000 0.000 0.000 3/34020 520.0 3.680 4.193 4.165 0.000 0.000 0.000 3/34020 530.0 3.610 4.111 4.084 0.000 0.000 0.000 3/34020 540.0 3.543 4.033 4.007 0.000 0.000 0.000 3/34020 550.0 3.478 3.957 3.932 0.000 0.000 0.000 3/34020 560.0 3.416 3.884 3.860 0.000 0.000 0.000 3/34020 570.0 3.355 3.814 3.791 0.000 0.000 0.000 3/34020 580.0 3.297 3.747 3.724 0.000 0.000 0.000 3/34020 590.0 3.241 3.682 3.659 0.000 0.000 0.000 3/34020 600.0 3.187 3.619 3.597 0.000 0.000 0.000 3/34020 610.0 3.135 3.558 3.537 0.000 0.000 0.000 3/34020 620.0 3.084 3.500 3.479 0.000 0.000 0.000 3/34020 630.0 3.035 3.443 3.423 0.000 0.000 0.000 3/34020 640.0 2.988 3.388 3.368 0.000 0.000 0.000 3/34020 650.0 2.942 3.335 3.316 0.000 0.000 0.000 3/34020 660.0 2.897 3.283 3.265 0.000 0.000 0.000 3/34020 670.0 2.854 3.234 3.215 0.000 0.000 0.000 3/34020 680.0 2.812 3.185 3.167 0.000 0.000 0.000 3/34020 690.0 2.771 3.138 3.121 0.000 0.000 0.000 3/34020 700.0 2.732 3.093 3.076 0.000 0.000 0.000 3/34020 710.0 2.693 3.048 3.032 0.000 0.000 0.000 3/34020 720.0 2.656 3.005 2.989 0.000 0.000 0.000 3/34020 730.0 2.620 2.964 2.948 0.000 0.000 0.000 3/34020 740.0 2.584 2.923 2.908 0.000 0.000 0.000 3/34020 750.0 2.550 2.884 2.868 0.000 0.000 0.000 3/34020 760.0 2.517 2.845 2.830 0.000 0.000 0.000 3/34020 770.0 2.484 2.808 2.793 0.000 0.000 0.000 3/34020 780.0 2.452 2.771 2.757 0.000 0.000 0.000 3/34020 790.0 2.421 2.736 2.722 0.000 0.000 0.000 3/34020 800.0 2.391 2.701 2.688 0.000 0.000 0.000 3/34020 810.0 2.361 2.668 2.654 0.000 0.000 0.000 3/34020 820.0 2.333 2.635 2.622 0.000 0.000 0.000 3/34020 830.0 2.305 2.603 2.590 0.000 0.000 0.000 3/34020 840.0 2.277 2.571 2.559 0.000 0.000 0.000 3/34020 850.0 2.251 2.541 2.528 0.000 0.000 0.000 3/34020 860.0 2.224 2.511 2.499 0.000 0.000 0.000 3/34020 870.0 2.199 2.482 2.470 0.000 0.000 0.000 3/34020 880.0 2.174 2.454 2.442 0.000 0.000 0.000 3/34020 890.0 2.150 2.426 2.414 0.000 0.000 0.000 3/34020 900.0 2.126 2.399 2.387 0.000 0.000 0.000 3/34020 910.0 2.103 2.372 2.361 0.000 0.000 0.000 3/34020 920.0 2.080 2.346 2.335 0.000 0.000 0.000 3/34020 930.0 2.057 2.321 2.310 0.000 0.000 0.000 3/34020 940.0 2.036 2.296 2.285 0.000 0.000 0.000 3/34020 950.0 2.014 2.271 2.261 0.000 0.000 0.000 3/34020 960.0 1.993 2.248 2.237 0.000 0.000 0.000 3/34020 970.0 1.973 2.224 2.214 0.000 0.000 0.000 3/34020 980.0 1.953 2.201 2.191 0.000 0.000 0.000 3/34020 990.0 1.933 2.179 2.169 0.000 0.000 0.000 3/34020 1000.0 1.914 2.157 2.147 0.000 0.000 0.000 3/34020 Thermal conductivity related properties were written into "kappa-m979.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:24:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|