----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:22:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mmm (139) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.722797700000000 2.722797700000000 5.428946650000000 b 2.722797700000000 -2.722797700000000 5.428946650000000 c 2.722797700000000 2.722797700000000 -5.428946650000000 Atomic positions (fractional): *1 Pa 0.00000000000000 0.00000000000000 0.00000000000000 231.036 *2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *3 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 4 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 *5 F 0.88362670096253 0.88362670096253 0.53291950191424 18.998 6 F 0.88362670096253 0.35070719904829 0.00000000000000 18.998 7 F 0.35070719904829 0.88362670096253 0.00000000000000 18.998 8 F 0.11637329903747 0.64929280095171 0.00000000000000 18.998 9 F 0.64929280095171 0.11637329903747 0.00000000000000 18.998 10 F 0.64929280095171 0.64929280095171 0.53291950191424 18.998 11 F 0.11637329903747 0.11637329903747 0.46708049808576 18.998 12 F 0.35070719904829 0.35070719904829 0.46708049808576 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.445595400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.445595400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.857893300000001 Atomic positions (fractional): *1 Pa 0.00000000000000 0.00000000000000 0.00000000000000 231.036 > 1 2 Pa 0.50000000000000 0.50000000000000 0.50000000000000 231.036 > 1 *3 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 2 *4 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 3 5 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 4 6 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 2 7 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 3 8 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 4 *9 F 0.76645975095712 0.76645975095712 0.11716695000541 18.998 > 5 10 F 0.23354024904288 0.76645975095712 0.11716695000541 18.998 > 6 11 F 0.76645975095712 0.23354024904288 0.11716695000541 18.998 > 7 12 F 0.26645975095712 0.73354024904288 0.38283304999459 18.998 > 8 13 F 0.73354024904288 0.26645975095712 0.38283304999459 18.998 > 9 14 F 0.26645975095712 0.26645975095712 0.38283304999459 18.998 > 10 15 F 0.73354024904288 0.73354024904288 0.38283304999459 18.998 > 11 16 F 0.23354024904288 0.23354024904288 0.11716695000541 18.998 > 12 17 F 0.26645975095712 0.26645975095712 0.61716695000541 18.998 > 5 18 F 0.73354024904288 0.26645975095712 0.61716695000541 18.998 > 6 19 F 0.26645975095712 0.73354024904288 0.61716695000541 18.998 > 7 20 F 0.76645975095712 0.23354024904288 0.88283304999459 18.998 > 8 21 F 0.23354024904288 0.76645975095712 0.88283304999459 18.998 > 9 22 F 0.76645975095712 0.76645975095712 0.88283304999459 18.998 > 10 23 F 0.23354024904288 0.23354024904288 0.88283304999459 18.998 > 11 24 F 0.73354024904288 0.73354024904288 0.61716695000541 18.998 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.891190800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.891190800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.857893300000001 Atomic positions (fractional): *1 Pa 0.00000000000000 0.00000000000000 0.00000000000000 231.036 > 1 2 Pa 0.50000000000000 0.00000000000000 0.00000000000000 231.036 > 1 3 Pa 0.00000000000000 0.50000000000000 0.00000000000000 231.036 > 1 4 Pa 0.50000000000000 0.50000000000000 0.00000000000000 231.036 > 1 5 Pa 0.25000000000000 0.25000000000000 0.50000000000000 231.036 > 1 6 Pa 0.75000000000000 0.25000000000000 0.50000000000000 231.036 > 1 7 Pa 0.25000000000000 0.75000000000000 0.50000000000000 231.036 > 1 8 Pa 0.75000000000000 0.75000000000000 0.50000000000000 231.036 > 1 *9 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 2 10 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 2 11 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 2 12 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 2 *13 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 3 14 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 3 15 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 3 16 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 3 17 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 4 18 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 4 19 Na 0.25000000000000 0.50000000000000 0.25000000000000 22.990 > 4 20 Na 0.75000000000000 0.50000000000000 0.25000000000000 22.990 > 4 21 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 2 22 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 2 23 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 2 24 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 2 25 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 3 26 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 3 27 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 3 28 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 3 29 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 4 30 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 4 31 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 4 32 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 4 *33 F 0.38322987547856 0.38322987547856 0.11716695000541 18.998 > 5 34 F 0.88322987547856 0.38322987547856 0.11716695000541 18.998 > 5 35 F 0.38322987547856 0.88322987547856 0.11716695000541 18.998 > 5 36 F 0.88322987547856 0.88322987547856 0.11716695000541 18.998 > 5 37 F 0.11677012452144 0.38322987547856 0.11716695000541 18.998 > 6 38 F 0.61677012452144 0.38322987547856 0.11716695000541 18.998 > 6 39 F 0.11677012452144 0.88322987547856 0.11716695000541 18.998 > 6 40 F 0.61677012452144 0.88322987547856 0.11716695000541 18.998 > 6 41 F 0.38322987547856 0.11677012452144 0.11716695000541 18.998 > 7 42 F 0.88322987547856 0.11677012452144 0.11716695000541 18.998 > 7 43 F 0.38322987547856 0.61677012452144 0.11716695000541 18.998 > 7 44 F 0.88322987547856 0.61677012452144 0.11716695000541 18.998 > 7 45 F 0.13322987547856 0.36677012452144 0.38283304999459 18.998 > 8 46 F 0.63322987547856 0.36677012452144 0.38283304999459 18.998 > 8 47 F 0.13322987547856 0.86677012452144 0.38283304999459 18.998 > 8 48 F 0.63322987547856 0.86677012452144 0.38283304999459 18.998 > 8 49 F 0.36677012452144 0.13322987547856 0.38283304999459 18.998 > 9 50 F 0.86677012452144 0.13322987547856 0.38283304999459 18.998 > 9 51 F 0.36677012452144 0.63322987547856 0.38283304999459 18.998 > 9 52 F 0.86677012452144 0.63322987547856 0.38283304999459 18.998 > 9 53 F 0.13322987547856 0.13322987547856 0.38283304999459 18.998 > 10 54 F 0.63322987547856 0.13322987547856 0.38283304999459 18.998 > 10 55 F 0.13322987547856 0.63322987547856 0.38283304999459 18.998 > 10 56 F 0.63322987547856 0.63322987547856 0.38283304999459 18.998 > 10 57 F 0.36677012452144 0.36677012452144 0.38283304999459 18.998 > 11 58 F 0.86677012452144 0.36677012452144 0.38283304999459 18.998 > 11 59 F 0.36677012452144 0.86677012452144 0.38283304999459 18.998 > 11 60 F 0.86677012452144 0.86677012452144 0.38283304999459 18.998 > 11 61 F 0.11677012452144 0.11677012452144 0.11716695000541 18.998 > 12 62 F 0.61677012452144 0.11677012452144 0.11716695000541 18.998 > 12 63 F 0.11677012452144 0.61677012452144 0.11716695000541 18.998 > 12 64 F 0.61677012452144 0.61677012452144 0.11716695000541 18.998 > 12 65 F 0.13322987547856 0.13322987547856 0.61716695000541 18.998 > 5 66 F 0.63322987547856 0.13322987547856 0.61716695000541 18.998 > 5 67 F 0.13322987547856 0.63322987547856 0.61716695000541 18.998 > 5 68 F 0.63322987547856 0.63322987547856 0.61716695000541 18.998 > 5 69 F 0.36677012452144 0.13322987547856 0.61716695000541 18.998 > 6 70 F 0.86677012452144 0.13322987547856 0.61716695000541 18.998 > 6 71 F 0.36677012452144 0.63322987547856 0.61716695000541 18.998 > 6 72 F 0.86677012452144 0.63322987547856 0.61716695000541 18.998 > 6 73 F 0.13322987547856 0.36677012452144 0.61716695000541 18.998 > 7 74 F 0.63322987547856 0.36677012452144 0.61716695000541 18.998 > 7 75 F 0.13322987547856 0.86677012452144 0.61716695000541 18.998 > 7 76 F 0.63322987547856 0.86677012452144 0.61716695000541 18.998 > 7 77 F 0.38322987547856 0.11677012452144 0.88283304999459 18.998 > 8 78 F 0.88322987547856 0.11677012452144 0.88283304999459 18.998 > 8 79 F 0.38322987547856 0.61677012452144 0.88283304999459 18.998 > 8 80 F 0.88322987547856 0.61677012452144 0.88283304999459 18.998 > 8 81 F 0.11677012452144 0.38322987547856 0.88283304999459 18.998 > 9 82 F 0.61677012452144 0.38322987547856 0.88283304999459 18.998 > 9 83 F 0.11677012452144 0.88322987547856 0.88283304999459 18.998 > 9 84 F 0.61677012452144 0.88322987547856 0.88283304999459 18.998 > 9 85 F 0.38322987547856 0.38322987547856 0.88283304999459 18.998 > 10 86 F 0.88322987547856 0.38322987547856 0.88283304999459 18.998 > 10 87 F 0.38322987547856 0.88322987547856 0.88283304999459 18.998 > 10 88 F 0.88322987547856 0.88322987547856 0.88283304999459 18.998 > 10 89 F 0.11677012452144 0.11677012452144 0.88283304999459 18.998 > 11 90 F 0.61677012452144 0.11677012452144 0.88283304999459 18.998 > 11 91 F 0.11677012452144 0.61677012452144 0.88283304999459 18.998 > 11 92 F 0.61677012452144 0.61677012452144 0.88283304999459 18.998 > 11 93 F 0.36677012452144 0.36677012452144 0.61716695000541 18.998 > 12 94 F 0.86677012452144 0.36677012452144 0.61716695000541 18.998 > 12 95 F 0.36677012452144 0.86677012452144 0.61716695000541 18.998 > 12 96 F 0.86677012452144 0.86677012452144 0.61716695000541 18.998 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2704367 0.0000000 0.0000000 0.0000000 2.2704367 0.0000000 0.0000000 0.0000000 2.2340651 -------------------------- Born effective charges -------------------------- 1 Pa 5.2353773 -0.0000000 0.0000000 -0.0000000 5.2353773 0.0000000 0.0000000 0.0000000 4.9182118 2 Na 1.3141114 -0.0000000 0.0000000 -0.0000000 1.3141114 0.0000000 0.0000000 0.0000000 0.7495997 3 Na 1.0420842 -0.0000000 0.0000000 -0.0000000 1.0420842 0.0000000 0.0000000 0.0000000 1.3435641 4 Na 1.0420842 -0.0000000 0.0000000 -0.0000000 1.0420842 0.0000000 0.0000000 0.0000000 1.3435641 5 F -1.0792071 -0.3807708 0.4251913 -0.3807708 -1.0792071 0.4251913 0.3666250 0.3666250 -1.0443675 6 F -1.0792071 0.3807708 -0.4251913 0.3807708 -1.0792071 0.4251913 -0.3666250 0.3666250 -1.0443675 7 F -1.0792071 0.3807708 0.4251913 0.3807708 -1.0792071 -0.4251913 0.3666250 -0.3666250 -1.0443675 8 F -1.0792071 0.3807708 -0.4251913 0.3807708 -1.0792071 0.4251913 -0.3666250 0.3666250 -1.0443675 9 F -1.0792071 0.3807708 0.4251913 0.3807708 -1.0792071 -0.4251913 0.3666250 -0.3666250 -1.0443675 10 F -1.0792071 -0.3807708 -0.4251913 -0.3807708 -1.0792071 -0.4251913 -0.3666250 -0.3666250 -1.0443675 11 F -1.0792071 -0.3807708 0.4251913 -0.3807708 -1.0792071 0.4251913 0.3666250 0.3666250 -1.0443675 12 F -1.0792071 -0.3807708 -0.4251913 -0.3807708 -1.0792071 -0.4251913 -0.3666250 -0.3666250 -1.0443675 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6660/6660 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 410 Number of blocks in projector: 416 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: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 117 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 78 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 75 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (410, 399), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (75, 74), data: True |-- (78, 74), data: True |-- (117, 113), data: True |-- (138, 136), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.290 Solver_block: 160 / 160 - Time: 0.193 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.491 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 6660/6660 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 410 Number of blocks in projector: 416 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: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 117 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 78 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 75 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (410, 399), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (75, 74), data: True |-- (78, 74), data: True |-- (117, 113), data: True |-- (138, 136), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:22:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:22:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mmm (139) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.722797700000000 2.722797700000000 5.428946650000000 b 2.722797700000000 -2.722797700000000 5.428946650000000 c 2.722797700000000 2.722797700000000 -5.428946650000000 Atomic positions (fractional): 1 Pa 0.00000000000000 0.00000000000000 0.00000000000000 231.036 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 3 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 4 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 5 F 0.88362670096253 0.88362670096253 0.53291950191424 18.998 6 F 0.88362670096253 0.35070719904829 0.00000000000000 18.998 7 F 0.35070719904829 0.88362670096253 0.00000000000000 18.998 8 F 0.11637329903747 0.64929280095171 0.00000000000000 18.998 9 F 0.64929280095171 0.11637329903747 0.00000000000000 18.998 10 F 0.64929280095171 0.64929280095171 0.53291950191424 18.998 11 F 0.11637329903747 0.11637329903747 0.46708049808576 18.998 12 F 0.35070719904829 0.35070719904829 0.46708049808576 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.891190800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.891190800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.857893300000001 Atomic positions (fractional): 1 Pa 0.00000000000000 0.00000000000000 0.00000000000000 231.036 > 1 2 Pa 0.50000000000000 0.00000000000000 0.00000000000000 231.036 > 1 3 Pa 0.00000000000000 0.50000000000000 0.00000000000000 231.036 > 1 4 Pa 0.50000000000000 0.50000000000000 0.00000000000000 231.036 > 1 5 Pa 0.25000000000000 0.25000000000000 0.50000000000000 231.036 > 1 6 Pa 0.75000000000000 0.25000000000000 0.50000000000000 231.036 > 1 7 Pa 0.25000000000000 0.75000000000000 0.50000000000000 231.036 > 1 8 Pa 0.75000000000000 0.75000000000000 0.50000000000000 231.036 > 1 9 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 9 10 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 9 11 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 9 12 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 9 13 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 13 14 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 13 15 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 13 16 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 13 17 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 17 18 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 17 19 Na 0.25000000000000 0.50000000000000 0.25000000000000 22.990 > 17 20 Na 0.75000000000000 0.50000000000000 0.25000000000000 22.990 > 17 21 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 9 22 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 9 23 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 9 24 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 9 25 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 13 26 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 13 27 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 13 28 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 13 29 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 17 30 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 17 31 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 17 32 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 17 33 F 0.38322987547856 0.38322987547856 0.11716695000541 18.998 > 33 34 F 0.88322987547856 0.38322987547856 0.11716695000541 18.998 > 33 35 F 0.38322987547856 0.88322987547856 0.11716695000541 18.998 > 33 36 F 0.88322987547856 0.88322987547856 0.11716695000541 18.998 > 33 37 F 0.11677012452144 0.38322987547856 0.11716695000541 18.998 > 37 38 F 0.61677012452144 0.38322987547856 0.11716695000541 18.998 > 37 39 F 0.11677012452144 0.88322987547856 0.11716695000541 18.998 > 37 40 F 0.61677012452144 0.88322987547856 0.11716695000541 18.998 > 37 41 F 0.38322987547856 0.11677012452144 0.11716695000541 18.998 > 41 42 F 0.88322987547856 0.11677012452144 0.11716695000541 18.998 > 41 43 F 0.38322987547856 0.61677012452144 0.11716695000541 18.998 > 41 44 F 0.88322987547856 0.61677012452144 0.11716695000541 18.998 > 41 45 F 0.13322987547856 0.36677012452144 0.38283304999459 18.998 > 45 46 F 0.63322987547856 0.36677012452144 0.38283304999459 18.998 > 45 47 F 0.13322987547856 0.86677012452144 0.38283304999459 18.998 > 45 48 F 0.63322987547856 0.86677012452144 0.38283304999459 18.998 > 45 49 F 0.36677012452144 0.13322987547856 0.38283304999459 18.998 > 49 50 F 0.86677012452144 0.13322987547856 0.38283304999459 18.998 > 49 51 F 0.36677012452144 0.63322987547856 0.38283304999459 18.998 > 49 52 F 0.86677012452144 0.63322987547856 0.38283304999459 18.998 > 49 53 F 0.13322987547856 0.13322987547856 0.38283304999459 18.998 > 53 54 F 0.63322987547856 0.13322987547856 0.38283304999459 18.998 > 53 55 F 0.13322987547856 0.63322987547856 0.38283304999459 18.998 > 53 56 F 0.63322987547856 0.63322987547856 0.38283304999459 18.998 > 53 57 F 0.36677012452144 0.36677012452144 0.38283304999459 18.998 > 57 58 F 0.86677012452144 0.36677012452144 0.38283304999459 18.998 > 57 59 F 0.36677012452144 0.86677012452144 0.38283304999459 18.998 > 57 60 F 0.86677012452144 0.86677012452144 0.38283304999459 18.998 > 57 61 F 0.11677012452144 0.11677012452144 0.11716695000541 18.998 > 61 62 F 0.61677012452144 0.11677012452144 0.11716695000541 18.998 > 61 63 F 0.11677012452144 0.61677012452144 0.11716695000541 18.998 > 61 64 F 0.61677012452144 0.61677012452144 0.11716695000541 18.998 > 61 65 F 0.13322987547856 0.13322987547856 0.61716695000541 18.998 > 33 66 F 0.63322987547856 0.13322987547856 0.61716695000541 18.998 > 33 67 F 0.13322987547856 0.63322987547856 0.61716695000541 18.998 > 33 68 F 0.63322987547856 0.63322987547856 0.61716695000541 18.998 > 33 69 F 0.36677012452144 0.13322987547856 0.61716695000541 18.998 > 37 70 F 0.86677012452144 0.13322987547856 0.61716695000541 18.998 > 37 71 F 0.36677012452144 0.63322987547856 0.61716695000541 18.998 > 37 72 F 0.86677012452144 0.63322987547856 0.61716695000541 18.998 > 37 73 F 0.13322987547856 0.36677012452144 0.61716695000541 18.998 > 41 74 F 0.63322987547856 0.36677012452144 0.61716695000541 18.998 > 41 75 F 0.13322987547856 0.86677012452144 0.61716695000541 18.998 > 41 76 F 0.63322987547856 0.86677012452144 0.61716695000541 18.998 > 41 77 F 0.38322987547856 0.11677012452144 0.88283304999459 18.998 > 45 78 F 0.88322987547856 0.11677012452144 0.88283304999459 18.998 > 45 79 F 0.38322987547856 0.61677012452144 0.88283304999459 18.998 > 45 80 F 0.88322987547856 0.61677012452144 0.88283304999459 18.998 > 45 81 F 0.11677012452144 0.38322987547856 0.88283304999459 18.998 > 49 82 F 0.61677012452144 0.38322987547856 0.88283304999459 18.998 > 49 83 F 0.11677012452144 0.88322987547856 0.88283304999459 18.998 > 49 84 F 0.61677012452144 0.88322987547856 0.88283304999459 18.998 > 49 85 F 0.38322987547856 0.38322987547856 0.88283304999459 18.998 > 53 86 F 0.88322987547856 0.38322987547856 0.88283304999459 18.998 > 53 87 F 0.38322987547856 0.88322987547856 0.88283304999459 18.998 > 53 88 F 0.88322987547856 0.88322987547856 0.88283304999459 18.998 > 53 89 F 0.11677012452144 0.11677012452144 0.88283304999459 18.998 > 57 90 F 0.61677012452144 0.11677012452144 0.88283304999459 18.998 > 57 91 F 0.11677012452144 0.61677012452144 0.88283304999459 18.998 > 57 92 F 0.61677012452144 0.61677012452144 0.88283304999459 18.998 > 57 93 F 0.36677012452144 0.36677012452144 0.61716695000541 18.998 > 61 94 F 0.86677012452144 0.36677012452144 0.61716695000541 18.998 > 61 95 F 0.36677012452144 0.86677012452144 0.61716695000541 18.998 > 61 96 F 0.86677012452144 0.86677012452144 0.61716695000541 18.998 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2704367 0.0000000 0.0000000 0.0000000 2.2704367 0.0000000 0.0000000 0.0000000 2.2340651 -------------------------- Born effective charges -------------------------- 1 Pa 5.2353773 -0.0000000 0.0000000 -0.0000000 5.2353773 0.0000000 0.0000000 0.0000000 4.9182118 2 Na 1.3141114 -0.0000000 0.0000000 -0.0000000 1.3141114 0.0000000 0.0000000 0.0000000 0.7495997 3 Na 1.0420842 -0.0000000 0.0000000 -0.0000000 1.0420842 0.0000000 0.0000000 0.0000000 1.3435641 4 Na 1.0420842 -0.0000000 0.0000000 -0.0000000 1.0420842 0.0000000 0.0000000 0.0000000 1.3435641 5 F -1.0792071 -0.3807708 0.4251913 -0.3807708 -1.0792071 0.4251913 0.3666250 0.3666250 -1.0443675 6 F -1.0792071 0.3807708 -0.4251913 0.3807708 -1.0792071 0.4251913 -0.3666250 0.3666250 -1.0443675 7 F -1.0792071 0.3807708 0.4251913 0.3807708 -1.0792071 -0.4251913 0.3666250 -0.3666250 -1.0443675 8 F -1.0792071 0.3807708 -0.4251913 0.3807708 -1.0792071 0.4251913 -0.3666250 0.3666250 -1.0443675 9 F -1.0792071 0.3807708 0.4251913 0.3807708 -1.0792071 -0.4251913 0.3666250 -0.3666250 -1.0443675 10 F -1.0792071 -0.3807708 -0.4251913 -0.3807708 -1.0792071 -0.4251913 -0.3666250 -0.3666250 -1.0443675 11 F -1.0792071 -0.3807708 0.4251913 -0.3807708 -1.0792071 0.4251913 0.3666250 0.3666250 -1.0443675 12 F -1.0792071 -0.3807708 -0.4251913 -0.3807708 -1.0792071 -0.4251913 -0.3666250 -0.3666250 -1.0443675 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:22:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:22:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mmm (139) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.722797700000000 2.722797700000000 5.428946650000000 b 2.722797700000000 -2.722797700000000 5.428946650000000 c 2.722797700000000 2.722797700000000 -5.428946650000000 Atomic positions (fractional): 1 Pa 0.00000000000000 0.00000000000000 0.00000000000000 231.036 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 3 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 4 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 5 F 0.88362670096253 0.88362670096253 0.53291950191424 18.998 6 F 0.88362670096253 0.35070719904829 0.00000000000000 18.998 7 F 0.35070719904829 0.88362670096253 0.00000000000000 18.998 8 F 0.11637329903747 0.64929280095171 0.00000000000000 18.998 9 F 0.64929280095171 0.11637329903747 0.00000000000000 18.998 10 F 0.64929280095171 0.64929280095171 0.53291950191424 18.998 11 F 0.11637329903747 0.11637329903747 0.46708049808576 18.998 12 F 0.35070719904829 0.35070719904829 0.46708049808576 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.891190800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.891190800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.857893300000001 Atomic positions (fractional): 1 Pa 0.00000000000000 0.00000000000000 0.00000000000000 231.036 > 1 2 Pa 0.50000000000000 0.00000000000000 0.00000000000000 231.036 > 1 3 Pa 0.00000000000000 0.50000000000000 0.00000000000000 231.036 > 1 4 Pa 0.50000000000000 0.50000000000000 0.00000000000000 231.036 > 1 5 Pa 0.25000000000000 0.25000000000000 0.50000000000000 231.036 > 1 6 Pa 0.75000000000000 0.25000000000000 0.50000000000000 231.036 > 1 7 Pa 0.25000000000000 0.75000000000000 0.50000000000000 231.036 > 1 8 Pa 0.75000000000000 0.75000000000000 0.50000000000000 231.036 > 1 9 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 9 10 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 9 11 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 9 12 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 9 13 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 13 14 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 13 15 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 13 16 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 13 17 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 17 18 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 17 19 Na 0.25000000000000 0.50000000000000 0.25000000000000 22.990 > 17 20 Na 0.75000000000000 0.50000000000000 0.25000000000000 22.990 > 17 21 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 9 22 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 9 23 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 9 24 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 9 25 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 13 26 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 13 27 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 13 28 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 13 29 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 17 30 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 17 31 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 17 32 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 17 33 F 0.38322987547856 0.38322987547856 0.11716695000541 18.998 > 33 34 F 0.88322987547856 0.38322987547856 0.11716695000541 18.998 > 33 35 F 0.38322987547856 0.88322987547856 0.11716695000541 18.998 > 33 36 F 0.88322987547856 0.88322987547856 0.11716695000541 18.998 > 33 37 F 0.11677012452144 0.38322987547856 0.11716695000541 18.998 > 37 38 F 0.61677012452144 0.38322987547856 0.11716695000541 18.998 > 37 39 F 0.11677012452144 0.88322987547856 0.11716695000541 18.998 > 37 40 F 0.61677012452144 0.88322987547856 0.11716695000541 18.998 > 37 41 F 0.38322987547856 0.11677012452144 0.11716695000541 18.998 > 41 42 F 0.88322987547856 0.11677012452144 0.11716695000541 18.998 > 41 43 F 0.38322987547856 0.61677012452144 0.11716695000541 18.998 > 41 44 F 0.88322987547856 0.61677012452144 0.11716695000541 18.998 > 41 45 F 0.13322987547856 0.36677012452144 0.38283304999459 18.998 > 45 46 F 0.63322987547856 0.36677012452144 0.38283304999459 18.998 > 45 47 F 0.13322987547856 0.86677012452144 0.38283304999459 18.998 > 45 48 F 0.63322987547856 0.86677012452144 0.38283304999459 18.998 > 45 49 F 0.36677012452144 0.13322987547856 0.38283304999459 18.998 > 49 50 F 0.86677012452144 0.13322987547856 0.38283304999459 18.998 > 49 51 F 0.36677012452144 0.63322987547856 0.38283304999459 18.998 > 49 52 F 0.86677012452144 0.63322987547856 0.38283304999459 18.998 > 49 53 F 0.13322987547856 0.13322987547856 0.38283304999459 18.998 > 53 54 F 0.63322987547856 0.13322987547856 0.38283304999459 18.998 > 53 55 F 0.13322987547856 0.63322987547856 0.38283304999459 18.998 > 53 56 F 0.63322987547856 0.63322987547856 0.38283304999459 18.998 > 53 57 F 0.36677012452144 0.36677012452144 0.38283304999459 18.998 > 57 58 F 0.86677012452144 0.36677012452144 0.38283304999459 18.998 > 57 59 F 0.36677012452144 0.86677012452144 0.38283304999459 18.998 > 57 60 F 0.86677012452144 0.86677012452144 0.38283304999459 18.998 > 57 61 F 0.11677012452144 0.11677012452144 0.11716695000541 18.998 > 61 62 F 0.61677012452144 0.11677012452144 0.11716695000541 18.998 > 61 63 F 0.11677012452144 0.61677012452144 0.11716695000541 18.998 > 61 64 F 0.61677012452144 0.61677012452144 0.11716695000541 18.998 > 61 65 F 0.13322987547856 0.13322987547856 0.61716695000541 18.998 > 33 66 F 0.63322987547856 0.13322987547856 0.61716695000541 18.998 > 33 67 F 0.13322987547856 0.63322987547856 0.61716695000541 18.998 > 33 68 F 0.63322987547856 0.63322987547856 0.61716695000541 18.998 > 33 69 F 0.36677012452144 0.13322987547856 0.61716695000541 18.998 > 37 70 F 0.86677012452144 0.13322987547856 0.61716695000541 18.998 > 37 71 F 0.36677012452144 0.63322987547856 0.61716695000541 18.998 > 37 72 F 0.86677012452144 0.63322987547856 0.61716695000541 18.998 > 37 73 F 0.13322987547856 0.36677012452144 0.61716695000541 18.998 > 41 74 F 0.63322987547856 0.36677012452144 0.61716695000541 18.998 > 41 75 F 0.13322987547856 0.86677012452144 0.61716695000541 18.998 > 41 76 F 0.63322987547856 0.86677012452144 0.61716695000541 18.998 > 41 77 F 0.38322987547856 0.11677012452144 0.88283304999459 18.998 > 45 78 F 0.88322987547856 0.11677012452144 0.88283304999459 18.998 > 45 79 F 0.38322987547856 0.61677012452144 0.88283304999459 18.998 > 45 80 F 0.88322987547856 0.61677012452144 0.88283304999459 18.998 > 45 81 F 0.11677012452144 0.38322987547856 0.88283304999459 18.998 > 49 82 F 0.61677012452144 0.38322987547856 0.88283304999459 18.998 > 49 83 F 0.11677012452144 0.88322987547856 0.88283304999459 18.998 > 49 84 F 0.61677012452144 0.88322987547856 0.88283304999459 18.998 > 49 85 F 0.38322987547856 0.38322987547856 0.88283304999459 18.998 > 53 86 F 0.88322987547856 0.38322987547856 0.88283304999459 18.998 > 53 87 F 0.38322987547856 0.88322987547856 0.88283304999459 18.998 > 53 88 F 0.88322987547856 0.88322987547856 0.88283304999459 18.998 > 53 89 F 0.11677012452144 0.11677012452144 0.88283304999459 18.998 > 57 90 F 0.61677012452144 0.11677012452144 0.88283304999459 18.998 > 57 91 F 0.11677012452144 0.61677012452144 0.88283304999459 18.998 > 57 92 F 0.61677012452144 0.61677012452144 0.88283304999459 18.998 > 57 93 F 0.36677012452144 0.36677012452144 0.61716695000541 18.998 > 61 94 F 0.86677012452144 0.36677012452144 0.61716695000541 18.998 > 61 95 F 0.36677012452144 0.86677012452144 0.61716695000541 18.998 > 61 96 F 0.86677012452144 0.86677012452144 0.61716695000541 18.998 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2704367 0.0000000 0.0000000 0.0000000 2.2704367 0.0000000 0.0000000 0.0000000 2.2340651 -------------------------- Born effective charges -------------------------- 1 Pa 5.2353773 -0.0000000 0.0000000 -0.0000000 5.2353773 0.0000000 0.0000000 0.0000000 4.9182118 2 Na 1.3141114 -0.0000000 0.0000000 -0.0000000 1.3141114 0.0000000 0.0000000 0.0000000 0.7495997 3 Na 1.0420842 -0.0000000 0.0000000 -0.0000000 1.0420842 0.0000000 0.0000000 0.0000000 1.3435641 4 Na 1.0420842 -0.0000000 0.0000000 -0.0000000 1.0420842 0.0000000 0.0000000 0.0000000 1.3435641 5 F -1.0792071 -0.3807708 0.4251913 -0.3807708 -1.0792071 0.4251913 0.3666250 0.3666250 -1.0443675 6 F -1.0792071 0.3807708 -0.4251913 0.3807708 -1.0792071 0.4251913 -0.3666250 0.3666250 -1.0443675 7 F -1.0792071 0.3807708 0.4251913 0.3807708 -1.0792071 -0.4251913 0.3666250 -0.3666250 -1.0443675 8 F -1.0792071 0.3807708 -0.4251913 0.3807708 -1.0792071 0.4251913 -0.3666250 0.3666250 -1.0443675 9 F -1.0792071 0.3807708 0.4251913 0.3807708 -1.0792071 -0.4251913 0.3666250 -0.3666250 -1.0443675 10 F -1.0792071 -0.3807708 -0.4251913 -0.3807708 -1.0792071 -0.4251913 -0.3666250 -0.3666250 -1.0443675 11 F -1.0792071 -0.3807708 0.4251913 -0.3807708 -1.0792071 0.4251913 0.3666250 0.3666250 -1.0443675 12 F -1.0792071 -0.3807708 -0.4251913 -0.3807708 -1.0792071 -0.4251913 -0.3666250 -0.3666250 -1.0443675 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 9 90 ] Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 5 5 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.76, Number of G-points: 297, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.585 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 6.234 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 9.451 ( 0.000 0.000 0.000) 0.000 9.927 ( 0.000 0.000 0.000) 0.000 10.017 ( 0.000 0.000 0.000) 0.000 10.988 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 11.963 ( 0.000 0.000 0.000) 0.000 11.963 ( 0.000 0.000 0.000) 0.000 12.911 ( 0.000 0.000 0.000) 0.000 16.079 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 13.564 13.564 0.000) 19.182 0.767 ( 18.234 18.234 0.000) 25.786 1.146 ( 26.118 26.118 0.000) 36.936 1.780 ( 8.690 8.690 0.000) 12.289 2.157 ( 13.840 13.840 0.000) 19.573 2.720 ( 11.981 11.981 0.000) 16.943 3.323 ( -0.708 -0.708 0.000) 1.001 3.465 ( 6.964 6.964 0.000) 9.849 4.184 ( 3.827 3.827 0.000) 5.412 4.494 ( -2.085 -2.085 0.000) 2.948 4.690 ( 4.477 4.477 0.000) 6.332 4.946 ( -4.746 -4.746 0.000) 6.712 5.121 ( -2.964 -2.964 0.000) 4.192 5.215 ( 1.378 1.378 0.000) 1.949 5.596 ( 6.745 6.745 0.000) 9.539 5.708 ( -2.020 -2.020 0.000) 2.857 5.791 ( -6.364 -6.364 0.000) 9.001 6.447 ( 9.492 9.492 0.000) 13.424 6.999 ( 3.988 3.988 0.000) 5.639 7.160 ( -3.387 -3.387 0.000) 4.790 7.250 ( 0.972 0.972 0.000) 1.375 7.431 ( 1.643 1.643 0.000) 2.324 8.126 ( 0.235 0.235 0.000) 0.332 8.710 ( -0.956 -0.956 0.000) 1.351 8.951 ( -1.248 -1.248 0.000) 1.765 8.992 ( 6.095 6.095 0.000) 8.619 9.363 ( -4.230 -4.230 0.000) 5.983 9.841 ( -4.106 -4.106 0.000) 5.807 9.962 ( -2.730 -2.730 0.000) 3.861 11.083 ( 4.785 4.785 0.000) 6.767 11.741 ( 0.321 0.321 0.000) 0.454 11.776 ( 1.961 1.961 0.000) 2.774 11.977 ( 0.621 0.621 0.000) 0.878 12.785 ( -6.057 -6.057 0.000) 8.565 14.882 ( -4.998 -4.998 0.000) 7.068 16.054 ( -1.235 -1.235 0.000) 1.746 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 11.783 11.783 0.000) 16.664 1.457 ( 15.103 15.103 0.000) 21.359 2.044 ( 16.726 16.726 0.000) 23.654 2.197 ( 10.445 10.445 0.000) 14.772 2.789 ( 15.157 15.157 0.000) 21.436 3.227 ( -2.885 -2.885 0.000) 4.080 3.271 ( 12.896 12.896 0.000) 18.237 3.830 ( 10.159 10.159 0.000) 14.367 4.457 ( 8.433 8.433 0.000) 11.925 4.464 ( 2.072 2.072 0.000) 2.931 4.800 ( -2.737 -2.737 0.000) 3.870 4.937 ( 7.272 7.272 0.000) 10.284 4.973 ( -3.671 -3.671 0.000) 5.191 5.286 ( 1.931 1.931 0.000) 2.731 5.481 ( -7.837 -7.837 0.000) 11.084 5.598 ( -3.257 -3.257 0.000) 4.607 5.794 ( 2.533 2.533 0.000) 3.582 6.948 ( 14.280 14.280 0.000) 20.195 6.989 ( -4.272 -4.272 0.000) 6.041 7.254 ( 8.397 8.397 0.000) 11.875 7.321 ( 2.649 2.649 0.000) 3.747 7.485 ( 0.536 0.536 0.000) 0.758 8.143 ( 0.608 0.608 0.000) 0.860 8.651 ( -1.925 -1.925 0.000) 2.722 8.877 ( -2.301 -2.301 0.000) 3.254 9.116 ( -7.713 -7.713 0.000) 10.907 9.353 ( 11.397 11.397 0.000) 16.118 9.607 ( -7.078 -7.078 0.000) 10.009 9.792 ( -5.565 -5.565 0.000) 7.870 11.390 ( 10.335 10.335 0.000) 14.616 11.758 ( 0.430 0.430 0.000) 0.609 11.877 ( 2.552 2.552 0.000) 3.608 12.009 ( 0.875 0.875 0.000) 1.238 12.437 ( -10.540 -10.540 0.000) 14.906 14.576 ( -9.911 -9.911 0.000) 14.016 15.981 ( -2.266 -2.266 0.000) 3.204 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 7.896 7.896 0.000) 11.166 1.964 ( 9.381 9.381 0.000) 13.267 2.444 ( 2.981 2.981 0.000) 4.216 2.506 ( 3.455 3.455 0.000) 4.886 3.226 ( 4.034 4.034 0.000) 5.705 3.272 ( 7.632 7.632 0.000) 10.794 3.643 ( 5.265 5.265 0.000) 7.446 4.223 ( 8.253 8.253 0.000) 11.671 4.704 ( -1.839 -1.839 0.000) 2.601 4.735 ( 10.259 10.259 0.000) 14.508 4.752 ( 4.886 4.886 0.000) 6.910 4.887 ( 0.040 0.040 0.000) 0.056 5.240 ( -2.298 -2.298 0.000) 3.250 5.247 ( 6.337 6.337 0.000) 8.963 5.356 ( 1.287 1.287 0.000) 1.820 5.454 ( -3.556 -3.556 0.000) 5.029 5.804 ( -1.764 -1.764 0.000) 2.495 6.881 ( -0.259 -0.259 0.000) 0.366 7.453 ( -2.206 -2.206 0.000) 3.119 7.473 ( 4.824 4.824 0.000) 6.821 7.541 ( 13.805 13.805 0.000) 19.523 7.648 ( 10.155 10.155 0.000) 14.362 8.170 ( 0.605 0.605 0.000) 0.856 8.557 ( -2.528 -2.528 0.000) 3.575 8.757 ( -9.464 -9.464 0.000) 13.384 8.779 ( -2.176 -2.176 0.000) 3.077 9.291 ( -8.010 -8.010 0.000) 11.328 9.516 ( -7.691 -7.691 0.000) 10.876 9.896 ( 14.853 14.853 0.000) 21.005 11.773 ( 0.298 0.298 0.000) 0.422 11.811 ( -10.637 -10.637 0.000) 15.042 11.917 ( 15.150 15.150 0.000) 21.425 12.043 ( 0.753 0.753 0.000) 1.065 12.102 ( -0.951 -0.951 0.000) 1.345 14.084 ( -13.932 -13.932 0.000) 19.703 15.880 ( -2.434 -2.434 0.000) 3.443 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 2.690 2.690 0.000) 3.804 2.212 ( 2.922 2.922 0.000) 4.132 2.414 ( -2.024 -2.024 0.000) 2.862 2.539 ( -0.305 -0.305 0.000) 0.432 3.429 ( 1.126 1.126 0.000) 1.592 3.453 ( 4.466 4.466 0.000) 6.316 3.768 ( 1.423 1.423 0.000) 2.013 4.456 ( 2.921 2.921 0.000) 4.131 4.644 ( -0.840 -0.840 0.000) 1.188 4.836 ( 0.039 0.039 0.000) 0.055 4.947 ( 1.683 1.683 0.000) 2.381 5.149 ( 7.660 7.660 0.000) 10.833 5.191 ( -0.029 -0.029 0.000) 0.041 5.329 ( -1.662 -1.662 0.000) 2.350 5.397 ( 0.333 0.333 0.000) 0.471 5.477 ( 3.297 3.297 0.000) 4.662 5.683 ( -3.317 -3.317 0.000) 4.691 6.965 ( 3.166 3.166 0.000) 4.477 7.323 ( -3.320 -3.320 0.000) 4.696 7.687 ( 4.540 4.540 0.000) 6.420 7.984 ( 6.573 6.573 0.000) 9.296 8.001 ( 5.755 5.755 0.000) 8.139 8.185 ( 0.032 0.032 0.000) 0.045 8.403 ( -6.447 -6.447 0.000) 9.117 8.470 ( -1.351 -1.351 0.000) 1.911 8.742 ( 0.602 0.602 0.000) 0.851 9.008 ( -4.762 -4.762 0.000) 6.735 9.212 ( -5.922 -5.922 0.000) 8.375 10.530 ( 15.502 15.502 0.000) 21.923 11.236 ( -15.096 -15.096 0.000) 21.350 11.781 ( 0.092 0.092 0.000) 0.130 12.066 ( 0.305 0.305 0.000) 0.431 12.143 ( 0.949 0.949 0.000) 1.342 12.561 ( 14.500 14.500 0.000) 20.506 13.486 ( -13.778 -13.778 0.000) 19.485 15.803 ( -1.097 -1.097 0.000) 1.551 ======================= Grid point 9 (6/90) ======================= q-point: ( 0.21 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.000 14.856 6.948) 16.401 1.022 ( 0.000 15.165 19.232) 24.492 1.809 ( 0.000 32.902 7.949) 33.849 1.823 ( 0.000 2.384 10.141) 10.418 2.529 ( 0.000 24.578 2.459) 24.701 2.873 ( 0.000 12.417 1.369) 12.492 3.230 ( -0.000 1.548 -8.535) 8.674 3.377 ( -0.000 -1.614 -5.487) 5.719 4.301 ( -0.000 12.570 -6.615) 14.204 4.659 ( 0.000 3.155 3.903) 5.018 4.677 ( 0.000 6.644 1.016) 6.721 4.889 ( -0.000 -3.930 -4.053) 5.646 5.074 ( -0.000 -0.192 -5.998) 6.001 5.151 ( -0.000 -0.969 -0.842) 1.283 5.356 ( 0.000 -2.632 3.461) 4.348 5.633 ( -0.000 0.092 -3.302) 3.304 6.252 ( 0.000 -0.442 8.536) 8.548 6.588 ( 0.000 14.987 -1.076) 15.025 6.826 ( -0.000 -4.613 -0.110) 4.614 7.005 ( -0.000 -7.796 -3.420) 8.513 7.215 ( 0.000 2.217 2.774) 3.551 7.537 ( -0.000 8.233 -5.202) 9.739 8.298 ( 0.000 -0.494 10.704) 10.715 8.616 ( 0.000 -6.580 2.751) 7.131 8.995 ( -0.000 1.403 -1.221) 1.860 9.154 ( 0.000 11.457 4.713) 12.389 9.251 ( -0.000 -7.457 -3.114) 8.081 9.833 ( -0.000 -5.071 -4.791) 6.976 9.921 ( 0.000 -2.906 2.407) 3.773 11.113 ( -0.000 7.535 -5.548) 9.357 11.316 ( -0.000 -10.101 -12.768) 16.281 11.944 ( 0.000 -10.594 14.946) 18.320 12.041 ( -0.000 16.374 -6.590) 17.650 12.659 ( 0.000 -4.875 2.827) 5.636 14.936 ( -0.000 -5.066 -1.386) 5.252 16.033 ( -0.000 -2.047 0.002) 2.047 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.21 -0.01 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 14.304 11.905 3.565) 18.948 1.391 ( 7.641 13.070 11.738) 19.157 2.069 ( 16.672 2.394 9.316) 19.248 2.375 ( 0.063 19.233 3.300) 19.514 2.968 ( 6.321 11.824 1.385) 13.479 3.176 ( -2.706 -2.747 -3.049) 4.916 3.203 ( 10.902 5.877 0.088) 12.386 3.544 ( 13.901 4.543 -6.585) 16.038 4.523 ( -1.104 8.164 -4.187) 9.242 4.699 ( -1.575 5.106 0.610) 5.378 4.824 ( -2.780 3.873 -0.445) 4.788 4.943 ( 5.193 7.086 -0.774) 8.819 5.014 ( -3.602 -1.112 -0.105) 3.771 5.162 ( 2.016 1.360 -4.107) 4.773 5.331 ( 1.937 -4.035 0.170) 4.479 5.610 ( 1.761 -4.242 2.577) 5.267 6.081 ( -13.828 1.938 2.611) 14.205 6.813 ( 5.664 -6.805 -4.472) 9.920 6.984 ( 12.921 4.712 -0.428) 13.760 7.040 ( 11.131 4.330 0.071) 11.944 7.219 ( 1.075 0.439 9.229) 9.301 7.714 ( -4.113 12.236 -7.311) 14.835 8.290 ( -2.874 2.566 5.093) 6.386 8.504 ( 2.808 -7.208 2.160) 8.032 8.952 ( -3.458 -3.297 -1.311) 4.955 9.050 ( -4.207 -5.918 0.078) 7.262 9.494 ( 5.663 15.084 4.160) 16.641 9.671 ( -4.408 -5.637 -4.599) 8.506 9.776 ( -7.716 -2.489 1.367) 8.222 11.117 ( 8.241 -14.734 -13.177) 21.416 11.403 ( 6.871 9.668 -3.559) 12.384 11.819 ( 9.722 -10.683 11.132) 18.236 12.375 ( -4.526 14.185 5.147) 15.754 12.407 ( -6.411 -6.363 -2.006) 9.253 14.702 ( -12.379 -5.172 -2.549) 13.656 15.973 ( -1.557 -2.083 -0.097) 2.602 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.21 -0.01 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 3.059 10.865 6.801) 13.178 1.863 ( 15.732 5.529 0.740) 16.692 2.439 ( 12.452 0.563 6.289) 13.962 2.539 ( -4.704 2.534 1.189) 5.474 3.110 ( 4.961 -2.267 1.276) 5.602 3.305 ( 11.089 3.240 1.774) 11.688 3.532 ( 11.210 1.855 -0.516) 11.374 3.919 ( 14.675 0.502 -6.066) 15.887 4.667 ( 1.389 1.121 -2.843) 3.357 4.739 ( 5.422 3.960 0.800) 6.762 4.794 ( -2.958 -1.399 3.646) 4.900 4.995 ( -2.502 2.148 0.022) 3.298 5.166 ( 1.599 3.341 -6.258) 7.272 5.196 ( -1.013 1.123 -5.469) 5.674 5.340 ( 5.988 -0.531 1.611) 6.224 5.526 ( -0.520 -4.427 7.262) 8.521 5.884 ( -8.956 2.410 -1.611) 9.414 6.821 ( 8.427 -4.276 0.751) 9.480 7.189 ( 2.991 0.281 3.365) 4.511 7.373 ( 18.462 0.354 -0.436) 18.470 7.488 ( 12.905 3.965 1.785) 13.618 7.826 ( -8.125 10.071 -5.351) 14.003 8.269 ( -3.082 0.408 -0.156) 3.113 8.463 ( 3.251 -1.622 0.978) 3.762 8.712 ( -6.544 -6.610 -0.874) 9.342 8.902 ( -5.861 0.253 3.778) 6.978 9.406 ( -8.266 -4.832 -4.054) 10.397 9.540 ( -11.180 -1.036 -0.160) 11.229 10.021 ( 10.777 17.658 5.219) 21.334 10.997 ( 13.037 -18.023 -13.937) 26.249 11.649 ( 13.621 -11.994 9.897) 20.672 11.907 ( -6.412 -9.647 7.238) 13.659 12.068 ( 8.359 8.351 -0.429) 11.823 12.667 ( -10.626 23.034 -7.271) 26.388 14.237 ( -19.368 -8.182 0.184) 21.026 15.894 ( -2.675 -1.073 -0.144) 2.886 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.21 -0.01 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -1.130 6.094 5.212) 8.099 2.183 ( 9.180 1.442 -1.915) 9.488 2.381 ( -4.509 -5.083 -0.049) 6.795 2.577 ( 0.468 1.610 3.913) 4.257 3.224 ( 9.960 -5.510 4.076) 12.090 3.535 ( 7.217 -0.096 4.408) 8.457 3.717 ( 5.344 -0.404 1.477) 5.559 4.120 ( 12.132 -7.407 -8.247) 16.433 4.707 ( 3.772 -0.614 0.832) 3.911 4.733 ( 1.705 -1.875 2.498) 3.559 4.880 ( -1.119 -8.020 0.061) 8.098 5.019 ( 10.058 2.736 -1.511) 10.532 5.130 ( -1.667 0.528 -7.748) 7.942 5.245 ( 1.785 -3.532 -5.784) 7.008 5.422 ( 3.563 -2.374 3.942) 5.820 5.452 ( -0.258 -1.675 7.198) 7.395 5.820 ( -6.157 5.708 -2.462) 8.750 6.974 ( 7.196 0.707 4.164) 8.344 7.244 ( 2.499 -0.852 2.922) 3.938 7.661 ( 5.992 -5.175 -6.409) 10.187 7.722 ( 13.513 -3.827 -0.641) 14.059 7.827 ( 5.060 -2.073 -1.013) 5.561 8.161 ( -3.235 -3.647 1.696) 5.161 8.492 ( -7.656 0.645 1.175) 7.773 8.602 ( 2.024 8.548 -0.095) 8.785 8.814 ( -7.100 2.105 0.607) 7.430 9.195 ( -5.391 0.544 -1.708) 5.681 9.308 ( -13.372 4.186 -0.711) 14.030 10.629 ( 12.989 16.693 5.832) 21.940 10.923 ( 16.479 -18.455 -14.687) 28.773 11.305 ( -12.992 -14.895 8.135) 21.374 11.722 ( 17.238 -17.842 15.193) 29.092 12.569 ( -4.142 20.910 -16.851) 27.172 12.959 ( 1.054 20.827 -0.794) 20.869 13.604 ( -23.567 -9.674 4.202) 25.820 15.836 ( -2.429 0.817 -0.054) 2.563 ======================= Grid point 17 (10/90) ======================= q-point: ( 0.21 -0.01 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -10.949 10.949 17.477) 23.350 0.834 ( -16.493 16.493 6.876) 24.317 1.311 ( -20.691 20.691 18.343) 34.535 1.934 ( -8.074 8.074 15.510) 19.260 2.127 ( -14.333 14.333 -3.124) 20.510 2.741 ( -11.514 11.514 2.114) 16.420 3.259 ( -0.412 0.412 -6.993) 7.017 3.366 ( -6.590 6.590 -10.208) 13.822 4.159 ( -2.921 2.921 -2.581) 4.871 4.531 ( 1.457 -1.457 3.448) 4.016 4.694 ( -4.726 4.726 0.810) 6.732 4.920 ( 4.207 -4.207 -2.749) 6.554 5.113 ( 2.139 -2.139 -0.747) 3.116 5.115 ( -1.115 1.115 -9.035) 9.172 5.483 ( 0.290 -0.290 -5.558) 5.573 5.589 ( -5.709 5.709 -0.915) 8.126 6.175 ( 10.256 -10.256 18.271) 23.328 6.435 ( -9.010 9.010 -1.316) 12.810 6.998 ( -3.435 3.435 -0.382) 4.873 7.089 ( -0.315 0.315 -5.455) 5.473 7.203 ( -1.286 1.286 -4.490) 4.845 7.403 ( -2.698 2.698 -2.823) 4.747 8.305 ( 5.015 -5.015 14.039) 15.729 8.743 ( 1.012 -1.012 3.339) 3.632 8.928 ( 0.532 -0.532 -2.672) 2.777 9.038 ( -6.132 6.132 4.926) 9.973 9.327 ( 4.194 -4.194 -3.578) 6.927 9.877 ( 4.124 -4.124 3.530) 6.818 9.924 ( 3.485 -3.485 -2.383) 5.474 11.034 ( -4.783 4.783 -5.323) 8.608 11.545 ( 0.038 -0.038 -13.656) 13.656 11.739 ( -2.856 2.856 -7.068) 8.140 12.195 ( -1.033 1.033 15.898) 15.965 12.616 ( -3.119 3.119 -8.201) 9.312 14.954 ( 9.578 -9.578 5.026) 14.448 16.054 ( 1.267 -1.267 0.032) 1.792 ======================= Grid point 18 (11/90) ======================= q-point: ( 0.42 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 5.029 1.918) 5.382 1.799 ( 0.000 7.235 7.684) 10.554 2.095 ( 0.000 1.603 6.935) 7.117 2.721 ( 0.000 6.350 2.558) 6.845 2.882 ( -0.000 -1.326 -3.044) 3.320 3.090 ( -0.000 -4.004 -3.101) 5.064 3.154 ( 0.000 0.920 0.567) 1.081 3.509 ( 0.000 8.150 -1.574) 8.301 4.638 ( -0.000 4.471 -3.619) 5.752 4.692 ( 0.000 2.356 -0.252) 2.369 4.944 ( 0.000 -2.332 1.035) 2.551 4.991 ( 0.000 3.757 -0.825) 3.847 5.067 ( -0.000 1.836 -0.725) 1.974 5.093 ( -0.000 1.166 -1.183) 1.661 5.297 ( 0.000 -1.161 1.219) 1.683 5.539 ( -0.000 -1.696 0.154) 1.703 6.343 ( 0.000 1.301 0.208) 1.317 6.541 ( -0.000 -3.804 -2.478) 4.540 6.690 ( -0.000 -3.066 0.280) 3.079 7.157 ( 0.000 6.685 -0.312) 6.692 7.402 ( 0.000 -0.876 7.796) 7.845 7.896 ( -0.000 12.459 -4.745) 13.332 8.351 ( -0.000 -5.383 -0.016) 5.383 8.386 ( 0.000 -3.561 1.172) 3.749 8.848 ( -0.000 -3.573 -0.418) 3.597 9.135 ( 0.000 2.038 4.941) 5.345 9.454 ( -0.000 -5.356 -6.799) 8.656 9.874 ( 0.000 -0.587 0.837) 1.022 9.889 ( 0.000 16.802 7.725) 18.493 10.472 ( -0.000 -16.513 -10.827) 19.747 11.428 ( -0.000 5.470 -2.972) 6.226 11.700 ( 0.000 -6.283 6.584) 9.100 12.363 ( -0.000 -2.656 -0.055) 2.656 12.740 ( 0.000 7.948 1.818) 8.153 14.675 ( -0.000 -3.682 -2.043) 4.211 15.958 ( -0.000 -0.836 -0.075) 0.839 ======================= Grid point 19 (12/90) ======================= q-point: (-0.58 -0.02 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 15.269 -1.016 -2.367) 15.484 1.905 ( 0.292 2.518 -2.686) 3.693 2.284 ( 14.122 0.499 4.908) 14.959 2.666 ( -4.494 -5.408 2.536) 7.475 2.994 ( 13.383 -2.180 0.340) 13.564 3.032 ( -0.178 -1.186 1.553) 1.962 3.295 ( 12.732 -1.341 1.436) 12.883 3.599 ( 5.753 -5.569 -4.056) 8.975 4.586 ( -0.779 -6.605 0.332) 6.659 4.710 ( 0.349 -0.828 -1.719) 1.940 4.912 ( -2.117 3.051 0.463) 3.742 4.986 ( -0.176 -6.090 2.053) 6.429 5.059 ( 1.637 -2.699 -1.795) 3.631 5.157 ( 2.799 -3.667 0.104) 4.614 5.262 ( -2.239 3.342 -0.938) 4.131 5.539 ( 2.896 -1.471 4.330) 5.412 6.160 ( -13.592 3.401 -2.774) 14.283 6.591 ( 7.484 1.465 0.710) 7.659 6.950 ( 17.918 1.412 -0.249) 17.975 7.210 ( 5.798 -6.883 0.926) 9.047 7.416 ( 0.762 0.172 6.318) 6.366 7.875 ( -4.179 -9.512 -7.345) 12.724 8.324 ( -2.544 4.714 0.069) 5.357 8.443 ( 2.477 6.208 -1.620) 6.878 8.788 ( -3.747 1.427 1.931) 4.450 9.122 ( -4.116 0.097 2.267) 4.700 9.355 ( -3.187 0.788 -1.043) 3.445 9.790 ( -8.973 2.631 -1.546) 9.478 10.144 ( 8.101 -13.132 -9.297) 18.014 10.375 ( 5.439 13.515 5.891) 15.715 11.347 ( 8.110 -14.365 12.347) 20.605 11.947 ( 4.234 7.466 -3.663) 9.332 12.088 ( -0.454 -7.689 11.481) 13.825 12.981 ( -5.988 15.528 -21.700) 27.347 14.486 ( -11.194 -2.653 5.608) 12.798 15.939 ( -1.810 0.871 -0.065) 2.010 ======================= Grid point 20 (13/90) ======================= q-point: (-0.58 -0.02 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 14.385 -4.598 -6.396) 16.401 1.919 ( 2.751 -4.161 -8.386) 9.758 2.409 ( -3.278 -4.596 3.788) 6.798 2.618 ( 9.994 1.258 2.317) 10.336 2.976 ( 5.778 -9.950 4.862) 12.491 3.270 ( 16.739 -3.899 3.221) 17.486 3.509 ( 10.673 -9.499 -4.717) 15.046 3.542 ( 11.020 -10.688 1.695) 15.445 4.474 ( 7.027 -7.881 1.155) 10.622 4.706 ( -0.868 -5.525 1.703) 5.847 4.793 ( 2.397 -2.386 -0.639) 3.442 4.916 ( -1.447 -4.806 2.150) 5.460 5.024 ( 1.607 -0.399 -3.065) 3.484 5.088 ( -1.885 -1.539 -2.939) 3.816 5.318 ( 2.888 -1.002 2.161) 3.744 5.584 ( 1.650 0.539 6.280) 6.516 6.025 ( -9.267 5.906 -5.504) 12.290 6.880 ( 12.337 4.728 4.165) 13.852 7.166 ( 10.763 -12.363 0.653) 16.405 7.304 ( 3.788 -6.358 3.818) 8.327 7.352 ( 9.048 -3.200 2.378) 9.888 7.590 ( -2.124 -7.758 -9.808) 12.684 8.284 ( -5.001 0.257 3.121) 5.901 8.674 ( 3.008 9.090 -2.981) 10.028 8.779 ( -5.994 7.533 2.521) 9.951 8.953 ( -7.668 -3.756 -2.701) 8.955 9.402 ( -4.430 9.438 2.961) 10.838 9.654 ( -11.550 5.530 -2.818) 13.112 10.019 ( 11.750 -15.627 -12.557) 23.237 10.871 ( 10.237 14.774 9.626) 20.389 11.246 ( 9.299 -14.471 12.758) 21.416 11.564 ( -7.035 -14.243 15.959) 22.518 12.574 ( 11.642 16.238 -12.756) 23.705 13.007 ( -9.676 0.632 -20.419) 22.604 14.200 ( -17.690 7.427 8.243) 20.882 15.924 ( -2.631 2.245 0.119) 3.461 ======================= Grid point 24 (14/90) ======================= q-point: ( 0.42 -0.02 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -8.517 16.106 5.442) 19.015 1.646 ( -9.420 2.819 14.344) 17.391 2.246 ( -1.428 16.532 7.612) 18.256 2.449 ( -15.856 -1.139 4.106) 16.418 2.996 ( -6.627 7.713 0.858) 10.205 3.082 ( -1.262 -1.620 -6.909) 7.208 3.222 ( -6.548 10.437 2.249) 12.525 3.402 ( -8.439 11.540 -7.365) 16.082 4.437 ( -11.090 1.292 -4.358) 11.985 4.707 ( 1.514 0.447 0.131) 1.584 4.810 ( -9.407 -2.850 -0.603) 9.847 4.945 ( -5.373 2.305 0.699) 5.888 4.996 ( 0.152 -1.027 -1.864) 2.134 5.111 ( -1.965 -0.418 -1.318) 2.403 5.327 ( 3.363 -0.627 -0.474) 3.453 5.608 ( 1.291 3.627 -2.843) 4.785 6.153 ( 2.658 -12.603 4.799) 13.745 6.731 ( 5.911 7.628 -4.191) 10.521 6.971 ( -7.298 11.827 -0.958) 13.931 7.032 ( -2.547 10.876 -0.513) 11.182 7.420 ( -1.531 -0.663 11.165) 11.289 7.556 ( -13.423 -3.309 -8.875) 16.428 8.378 ( 1.089 -3.982 3.437) 5.372 8.555 ( 8.214 2.737 3.066) 9.185 8.928 ( 6.377 -3.686 -1.526) 7.522 9.047 ( -1.503 -4.291 0.076) 4.547 9.545 ( 5.240 -2.390 -3.691) 6.841 9.632 ( -12.136 5.701 6.426) 14.869 9.821 ( 2.785 -8.271 3.169) 9.285 10.883 ( 15.117 7.505 -11.693) 20.532 11.276 ( -12.227 6.860 -9.654) 17.023 11.981 ( -3.006 -1.906 -2.819) 4.541 12.166 ( 0.689 5.940 -2.786) 6.597 12.752 ( 6.211 -5.455 22.848) 24.297 14.630 ( 4.720 -11.647 -5.306) 13.641 15.971 ( 2.119 -1.626 -0.081) 2.672 ======================= Grid point 25 (15/90) ======================= q-point: ( 0.42 -0.02 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -8.050 8.050 15.242) 19.025 1.564 ( -13.302 13.302 5.309) 19.546 2.219 ( -10.039 10.039 7.840) 16.218 2.573 ( -5.500 5.500 12.655) 14.855 2.732 ( -15.873 15.873 -3.090) 22.659 3.178 ( -3.898 3.898 -1.551) 5.727 3.255 ( -10.491 10.491 -1.857) 14.953 3.489 ( -11.600 11.600 -12.800) 20.808 4.337 ( -9.007 9.007 -4.252) 13.429 4.619 ( -1.899 1.899 3.571) 4.469 4.769 ( 0.813 -0.813 -0.561) 1.280 4.874 ( -2.817 2.817 -2.703) 4.815 5.029 ( -2.147 2.147 -4.628) 5.535 5.032 ( 2.258 -2.258 2.637) 4.141 5.365 ( 1.046 -1.046 -2.477) 2.885 5.687 ( -1.935 1.935 -5.176) 5.855 6.032 ( 8.300 -8.300 8.744) 14.637 6.882 ( -12.465 12.465 -0.168) 17.629 7.073 ( -3.802 3.802 -8.037) 9.669 7.153 ( -4.009 4.009 2.154) 6.065 7.304 ( -6.390 6.390 -0.369) 9.044 7.413 ( 0.036 -0.036 0.019) 0.054 8.316 ( 3.152 -3.152 4.148) 6.089 8.752 ( 2.288 -2.288 4.474) 5.521 8.852 ( 1.433 -1.433 -0.359) 2.058 9.013 ( 7.096 -7.096 -4.111) 10.844 9.531 ( -10.845 10.845 9.225) 17.898 9.655 ( 5.843 -5.843 -4.207) 9.273 9.713 ( 7.474 -7.474 4.257) 11.395 11.193 ( -9.949 9.949 -10.194) 17.375 11.285 ( 0.882 -0.882 -12.334) 12.397 11.654 ( -3.252 3.252 -15.619) 16.282 12.566 ( -2.351 2.351 16.182) 16.521 12.612 ( 6.349 -6.349 14.515) 17.068 14.520 ( 12.380 -12.380 -3.071) 17.775 15.977 ( 2.372 -2.372 -0.157) 3.358 ======================= Grid point 27 (16/90) ======================= q-point: (-0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -0.000 -9.620 -6.146) 11.416 1.620 ( -0.000 -10.118 -15.650) 18.636 2.054 ( -0.000 -2.420 -7.780) 8.147 2.464 ( -0.000 -18.261 -4.999) 18.933 2.885 ( 0.000 -2.148 2.249) 3.110 3.098 ( -0.000 -5.312 -1.449) 5.506 3.185 ( 0.000 4.383 6.855) 8.137 3.226 ( -0.000 -17.685 3.663) 18.060 4.431 ( 0.000 -12.695 5.399) 13.795 4.707 ( 0.000 1.889 0.741) 2.029 4.848 ( -0.000 -8.588 0.450) 8.600 4.907 ( -0.000 -5.357 -1.828) 5.660 5.011 ( 0.000 -3.003 3.560) 4.658 5.106 ( 0.000 1.955 0.800) 2.113 5.346 ( -0.000 2.947 -2.051) 3.591 5.562 ( 0.000 0.583 3.760) 3.805 6.333 ( -0.000 0.607 -3.482) 3.534 6.648 ( 0.000 5.816 4.187) 7.166 6.785 ( 0.000 3.855 0.479) 3.884 6.931 ( -0.000 -11.785 0.756) 11.809 7.430 ( -0.000 -0.069 -11.385) 11.385 7.591 ( 0.000 -14.380 8.938) 16.931 8.426 ( -0.000 1.701 -3.703) 4.075 8.521 ( -0.000 8.275 -3.383) 8.940 8.966 ( 0.000 6.311 1.338) 6.452 9.092 ( -0.000 -1.282 0.057) 1.284 9.554 ( -0.000 -15.279 -8.582) 17.524 9.588 ( 0.000 7.566 6.415) 9.919 9.915 ( -0.000 3.063 -2.880) 4.204 10.801 ( 0.000 14.906 10.982) 18.515 11.204 ( 0.000 -11.714 9.732) 15.229 11.957 ( -0.000 13.953 -13.392) 19.340 12.138 ( 0.000 -17.187 19.249) 25.805 12.811 ( -0.000 6.847 -23.342) 24.326 14.755 ( 0.000 4.798 5.848) 7.564 15.989 ( 0.000 2.029 0.028) 2.029 ======================= Grid point 28 (17/90) ======================= q-point: (-0.37 -0.03 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 18.297 -8.893 -8.593) 22.084 1.415 ( 3.525 -13.949 -15.958) 21.486 2.067 ( 4.554 -19.107 -13.411) 23.784 2.211 ( 18.978 -2.714 -6.500) 20.243 2.648 ( 0.436 -23.409 -8.125) 24.783 3.014 ( 10.138 -8.778 1.666) 13.513 3.097 ( 5.748 -2.590 8.000) 10.185 3.277 ( 6.844 -6.286 12.782) 15.803 4.213 ( 3.050 -9.243 4.364) 10.667 4.636 ( -2.696 -4.684 -3.519) 6.449 4.771 ( 1.184 1.636 2.241) 3.017 4.833 ( 1.063 -4.081 0.164) 4.220 4.981 ( 1.888 -1.351 5.591) 6.054 5.094 ( -2.857 -0.125 -0.038) 2.860 5.390 ( -1.201 2.723 1.423) 3.299 5.614 ( 4.331 -1.074 4.021) 6.007 6.235 ( -10.629 5.590 -6.837) 13.820 6.654 ( 8.598 -13.602 0.999) 16.122 6.889 ( 7.878 4.787 4.859) 10.421 7.099 ( 11.173 3.800 1.226) 11.865 7.210 ( -2.779 -13.187 1.140) 13.525 7.445 ( -1.784 -3.446 0.741) 3.950 8.404 ( -4.579 2.344 -4.772) 7.017 8.719 ( 2.732 7.245 -3.823) 8.635 8.935 ( -3.897 -3.371 -0.332) 5.163 9.131 ( -4.138 6.959 4.519) 9.272 9.348 ( 6.380 -11.161 -9.167) 15.790 9.735 ( -2.441 9.253 2.234) 9.827 9.890 ( -8.063 3.422 -3.888) 9.583 11.026 ( 5.762 -7.258 10.168) 13.758 11.181 ( 7.168 9.038 11.567) 16.336 11.721 ( -5.747 -14.061 15.686) 21.836 12.360 ( 11.525 10.209 -12.844) 20.050 12.787 ( -6.317 -3.867 -15.389) 17.079 14.777 ( -11.111 10.114 1.765) 15.129 16.017 ( -1.472 2.201 0.036) 2.648 ======================= Grid point 31 (18/90) ======================= q-point: (-0.37 -0.03 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 4.706 15.413 -1.662) 16.201 1.809 ( 6.539 1.155 -7.371) 9.921 2.269 ( 0.946 14.782 -6.344) 16.113 2.672 ( 5.399 -4.400 -1.840) 7.204 3.023 ( -0.798 12.349 2.472) 12.619 3.068 ( -2.122 -0.493 2.222) 3.112 3.297 ( 1.268 12.272 -1.388) 12.415 3.587 ( 6.377 7.030 3.089) 9.982 4.617 ( 4.546 -1.262 2.918) 5.547 4.692 ( 1.381 0.607 -0.168) 1.518 4.906 ( -2.423 -2.472 -1.335) 3.710 5.029 ( 5.646 0.853 2.677) 6.307 5.037 ( 1.437 0.507 -0.584) 1.632 5.174 ( 3.916 2.396 1.616) 4.867 5.250 ( -4.221 -1.071 -0.250) 4.362 5.575 ( -1.782 2.711 -0.855) 3.356 6.124 ( -0.023 -14.099 -0.860) 14.125 6.619 ( -4.039 7.262 2.230) 8.603 6.948 ( -1.335 18.022 0.078) 18.071 7.219 ( 5.851 5.156 -0.076) 7.799 7.414 ( -0.068 1.864 -6.904) 7.151 7.847 ( 11.669 -4.601 4.662) 13.382 8.323 ( -3.928 -2.313 -0.023) 4.558 8.418 ( -4.070 2.595 -1.043) 4.938 8.809 ( -3.531 -3.741 0.496) 5.168 9.093 ( 2.067 -4.024 -4.591) 6.446 9.415 ( -5.360 -3.662 6.361) 9.089 9.766 ( -0.315 -8.709 -0.951) 8.766 9.971 ( 16.746 6.683 -8.342) 19.867 10.546 ( -17.127 6.951 11.571) 21.806 11.510 ( 5.895 7.873 3.065) 10.302 11.806 ( -6.169 9.214 -6.173) 12.691 12.295 ( -2.545 -6.529 0.194) 7.010 12.689 ( 7.330 -4.542 -2.385) 8.947 14.554 ( -3.409 -11.535 1.863) 12.172 15.939 ( -0.895 -1.769 0.087) 1.985 ======================= Grid point 32 (19/90) ======================= q-point: ( 0.63 -0.03 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -1.883 14.794 3.002) 15.213 1.918 ( 3.182 1.809 0.563) 3.703 2.507 ( -4.337 -0.751 -4.171) 6.064 2.596 ( 1.420 2.934 -1.636) 3.648 3.097 ( -2.989 7.839 -2.756) 8.831 3.324 ( -1.429 16.827 -0.266) 16.889 3.588 ( -0.851 14.016 -3.687) 14.517 3.742 ( -6.026 7.950 6.091) 11.688 4.602 ( -4.460 2.938 -0.381) 5.354 4.752 ( -1.169 4.100 0.154) 4.266 4.889 ( 3.129 0.113 -0.368) 3.152 4.953 ( -6.568 -2.810 -2.379) 7.530 5.072 ( -1.694 -3.545 3.266) 5.109 5.127 ( -1.767 1.024 2.807) 3.471 5.343 ( -1.156 6.427 -0.790) 6.577 5.584 ( -0.928 1.187 -5.189) 5.403 5.913 ( 4.631 -10.112 3.709) 11.724 6.801 ( 2.000 12.520 -1.474) 12.764 7.296 ( -0.130 4.978 -3.954) 6.359 7.335 ( -1.172 14.632 2.253) 14.851 7.498 ( -6.912 8.280 -4.321) 11.619 7.767 ( -6.424 -5.366 7.460) 11.212 8.258 ( 2.267 -3.681 -0.540) 4.356 8.509 ( 6.034 3.757 1.450) 7.254 8.678 ( 1.489 -6.808 -1.695) 7.172 9.002 ( -0.291 -7.552 -1.192) 7.651 9.271 ( 2.108 -4.790 0.568) 5.264 9.563 ( 2.997 -12.694 1.178) 13.096 10.360 ( -16.442 12.744 11.653) 23.844 10.537 ( 16.314 10.273 -8.487) 21.064 11.563 ( -15.778 11.111 -12.234) 22.849 11.864 ( -13.696 -7.218 -14.144) 20.970 12.232 ( 16.184 8.460 10.655) 21.143 12.839 ( 13.571 -5.869 16.933) 22.480 14.162 ( -2.096 -20.003 -5.071) 20.742 15.890 ( 0.906 -2.733 0.006) 2.879 ======================= Grid point 33 (20/90) ======================= q-point: ( 0.63 -0.03 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -1.523 1.523 6.468) 6.817 2.082 ( -8.001 8.001 3.371) 11.807 2.352 ( 1.084 -1.084 -4.402) 4.661 2.685 ( 0.912 -0.912 -2.371) 2.699 3.165 ( -9.117 9.117 -5.035) 13.841 3.535 ( -7.262 7.262 -3.738) 10.929 3.710 ( -11.374 11.374 12.977) 20.667 3.753 ( -7.109 7.109 -8.206) 12.978 4.653 ( -7.482 7.482 -1.524) 10.690 4.703 ( -3.612 3.612 -0.535) 5.136 4.834 ( 0.791 -0.791 -5.366) 5.481 4.950 ( -5.689 5.689 3.412) 8.740 5.032 ( 1.418 -1.418 5.084) 5.465 5.073 ( -1.645 1.645 2.730) 3.587 5.393 ( -3.983 3.983 -1.797) 5.913 5.592 ( 0.605 -0.605 -6.919) 6.972 5.867 ( 6.368 -6.368 5.776) 10.698 7.084 ( -3.879 3.879 -8.185) 9.853 7.281 ( -2.311 2.311 -4.807) 5.813 7.365 ( -6.564 6.564 8.934) 12.883 7.585 ( -6.553 6.553 4.338) 10.232 7.642 ( -10.184 10.184 -0.166) 14.404 8.209 ( 1.960 -1.960 -2.816) 3.951 8.612 ( 7.113 -7.113 -1.548) 10.177 8.758 ( 2.781 -2.781 3.000) 4.947 8.785 ( 3.236 -3.236 1.095) 4.706 9.296 ( 6.082 -6.082 -3.348) 9.230 9.423 ( 9.849 -9.849 2.850) 14.217 10.303 ( -15.826 15.826 13.230) 25.999 11.028 ( 1.625 -1.625 -9.534) 9.807 11.291 ( -2.657 2.657 -14.712) 15.184 11.655 ( -14.647 14.647 -14.784) 25.448 12.567 ( 12.955 -12.955 21.263) 28.068 12.949 ( -2.626 2.626 13.279) 13.789 13.845 ( 14.802 -14.802 -9.548) 23.008 15.871 ( 2.379 -2.379 -0.127) 3.366 ======================= Grid point 36 (21/90) ======================= q-point: (-0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -0.000 -12.660 -12.295) 17.648 0.713 ( -0.000 -17.064 -19.119) 25.627 1.118 ( -0.000 -30.295 -23.446) 38.308 1.781 ( -0.000 -1.590 -11.361) 11.472 2.027 ( -0.000 -21.385 -1.152) 21.416 2.611 ( -0.000 -11.464 -2.620) 11.760 3.222 ( 0.000 0.120 9.270) 9.271 3.313 ( 0.000 -6.529 8.676) 10.858 4.142 ( 0.000 -2.636 2.026) 3.325 4.589 ( -0.000 -2.222 -1.907) 2.928 4.605 ( -0.000 -2.340 -1.630) 2.852 4.992 ( 0.000 5.522 5.506) 7.798 5.081 ( 0.000 0.394 7.666) 7.676 5.153 ( 0.000 -0.734 2.233) 2.350 5.401 ( -0.000 1.657 -3.734) 4.086 5.562 ( 0.000 -7.259 4.821) 8.714 6.329 ( -0.000 -9.447 0.646) 9.469 6.368 ( -0.000 13.167 -16.423) 21.050 6.903 ( 0.000 2.691 -0.634) 2.764 7.123 ( 0.000 -5.687 7.598) 9.490 7.133 ( 0.000 4.442 4.784) 6.529 7.385 ( 0.000 -9.358 3.987) 10.172 8.394 ( -0.000 11.000 -16.491) 19.823 8.724 ( -0.000 3.754 -3.226) 4.950 8.951 ( 0.000 -3.141 3.857) 4.974 8.974 ( -0.000 -6.072 -4.843) 7.767 9.371 ( 0.000 4.118 3.590) 5.463 9.921 ( 0.000 3.623 -0.521) 3.660 9.981 ( -0.000 3.170 -1.999) 3.748 10.984 ( 0.000 -4.457 5.323) 6.942 11.485 ( 0.000 5.822 13.150) 14.381 11.764 ( 0.000 -11.400 10.166) 15.275 12.113 ( -0.000 5.771 -15.221) 16.278 12.571 ( 0.000 -16.703 8.796) 18.877 15.096 ( -0.000 12.058 -6.187) 13.553 16.067 ( 0.000 1.229 -0.080) 1.232 ======================= Grid point 38 (22/90) ======================= q-point: (-0.16 -0.04 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 12.589 12.708 -9.842) 20.417 1.129 ( 12.790 14.647 -11.643) 22.665 1.866 ( 28.697 6.402 -7.517) 30.348 2.020 ( 2.875 16.435 -11.160) 20.073 2.575 ( 24.161 4.830 -0.969) 24.658 3.004 ( 12.428 11.645 -0.878) 17.054 3.236 ( -2.121 -0.343 5.062) 5.499 3.485 ( 3.321 10.358 8.860) 14.029 4.312 ( 11.495 1.862 5.534) 12.893 4.554 ( 4.411 -4.041 -4.769) 7.651 4.797 ( 5.048 5.681 0.243) 7.604 4.848 ( -2.156 -2.735 1.781) 3.911 5.058 ( -2.636 -2.746 0.906) 3.913 5.141 ( 0.995 0.769 6.585) 6.704 5.417 ( -4.286 2.439 1.920) 5.292 5.665 ( -0.117 3.929 1.016) 4.060 6.060 ( -1.047 -13.409 -11.267) 17.545 6.683 ( 14.338 8.605 1.774) 16.816 6.962 ( -4.633 8.431 3.451) 10.220 7.108 ( -3.075 8.477 -2.014) 9.240 7.201 ( 1.417 -0.197 0.089) 1.434 7.505 ( 7.531 -2.915 4.459) 9.225 8.256 ( 0.136 -3.160 -9.012) 9.551 8.654 ( -6.694 2.851 -2.849) 7.814 8.949 ( 1.687 -4.071 1.034) 4.526 9.206 ( -7.364 -4.218 3.153) 9.053 9.218 ( 11.325 6.109 -4.765) 13.722 9.781 ( -5.040 -5.401 0.398) 7.398 9.848 ( -3.971 -5.079 1.165) 6.552 11.173 ( 8.295 5.719 5.494) 11.476 11.411 ( -10.303 7.993 12.889) 18.335 11.915 ( 8.531 -4.054 2.711) 9.827 12.132 ( -2.293 8.071 -11.285) 14.062 12.599 ( -5.723 -5.737 -2.699) 8.541 14.801 ( -5.412 -11.334 0.792) 12.585 16.018 ( -2.127 -1.380 0.040) 2.536 ======================= Grid point 39 (23/90) ======================= q-point: (-0.16 -0.04 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 11.318 6.428 -9.896) 16.351 1.715 ( 8.882 16.812 -2.510) 19.179 2.391 ( 11.978 2.231 -2.018) 12.350 2.417 ( 2.071 13.348 -8.415) 15.914 3.085 ( 9.830 6.115 1.061) 11.625 3.201 ( 2.003 4.623 -2.458) 5.606 3.457 ( 5.990 11.488 1.259) 13.017 3.866 ( 4.550 16.263 8.313) 18.822 4.565 ( 6.034 5.977 1.276) 8.588 4.692 ( 7.182 1.413 -2.296) 7.672 4.763 ( 2.028 -2.792 -0.082) 3.452 4.942 ( -0.556 -2.879 -1.376) 3.239 5.045 ( 6.738 3.933 5.314) 9.440 5.174 ( 0.975 -0.793 6.696) 6.813 5.366 ( -1.825 1.746 -0.077) 2.527 5.638 ( -6.630 -0.420 -7.743) 10.202 5.850 ( 1.967 -7.421 0.142) 7.679 6.924 ( -4.823 3.953 -2.510) 6.723 7.211 ( 1.709 8.723 2.327) 9.188 7.263 ( 7.406 11.382 -1.452) 13.657 7.386 ( 4.010 14.562 -1.737) 15.204 7.594 ( 10.925 -7.362 5.666) 14.341 8.226 ( 2.456 -2.977 -3.377) 5.128 8.568 ( -7.091 2.905 -2.275) 7.993 8.855 ( -3.156 -5.590 1.410) 6.573 8.927 ( -5.165 -7.641 0.402) 9.232 9.504 ( -5.395 -9.112 -0.499) 10.602 9.618 ( -4.052 -6.462 2.708) 8.093 9.685 ( 13.526 9.820 -4.723) 17.369 11.336 ( -14.247 12.529 14.013) 23.586 11.600 ( 12.120 11.764 4.361) 17.444 11.979 ( -1.225 2.276 -3.438) 4.301 12.222 ( -8.861 -11.249 -0.265) 14.322 12.291 ( 7.850 -1.278 -11.964) 14.367 14.386 ( -7.158 -17.019 2.191) 18.593 15.931 ( -2.301 -2.485 0.158) 3.390 ======================= Grid point 40 (24/90) ======================= q-point: (-0.16 -0.04 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 7.034 2.989 -7.373) 10.620 2.117 ( 4.850 8.559 -0.466) 9.849 2.449 ( -1.097 -3.744 0.824) 3.987 2.569 ( -0.817 1.540 -3.835) 4.213 3.293 ( -1.370 10.589 -3.242) 11.159 3.467 ( 6.676 4.920 -5.185) 9.781 3.698 ( 2.042 5.174 0.718) 5.608 4.209 ( -0.977 11.965 8.031) 14.444 4.702 ( 0.118 -0.126 -1.739) 1.747 4.781 ( -1.059 3.348 -0.602) 3.563 4.925 ( 4.710 7.437 -0.220) 8.806 4.952 ( 2.412 2.691 -0.519) 3.651 5.119 ( 0.658 -2.642 7.545) 8.021 5.239 ( 3.435 2.080 7.077) 8.137 5.445 ( 0.576 3.441 -3.274) 4.785 5.498 ( -2.529 -0.971 -7.437) 7.915 5.755 ( 0.089 -4.602 2.113) 5.065 6.961 ( 0.451 4.712 -6.148) 7.759 7.287 ( -4.434 6.295 0.063) 7.701 7.630 ( 7.218 -4.568 6.801) 10.918 7.761 ( 6.857 12.412 -0.262) 14.183 7.771 ( 2.352 14.818 -0.725) 15.021 8.207 ( 0.242 -2.558 0.171) 2.575 8.510 ( -1.158 -0.979 -1.045) 1.841 8.568 ( -6.669 -5.755 -0.111) 8.809 8.778 ( 0.795 -5.401 -1.436) 5.644 9.200 ( -2.061 -11.160 0.229) 11.351 9.335 ( -5.507 -8.746 2.645) 10.669 10.278 ( 17.138 14.172 -5.635) 22.941 11.296 ( -17.141 15.479 15.587) 27.863 11.622 ( -15.704 -13.532 -8.947) 22.578 12.038 ( -11.077 15.797 -11.161) 22.289 12.148 ( 19.663 -2.970 13.847) 24.232 12.518 ( 19.710 -1.484 -6.078) 20.679 13.817 ( -10.629 -20.576 1.413) 23.202 15.840 ( -1.160 -2.465 0.150) 2.728 ======================= Grid point 41 (25/90) ======================= q-point: (-0.16 -0.04 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 1.870 -1.870 -6.725) 7.226 2.272 ( 1.462 -1.462 -0.733) 2.194 2.345 ( -2.640 2.640 1.825) 4.156 2.565 ( 0.794 -0.794 -2.619) 2.850 3.382 ( -5.182 5.182 -2.264) 7.671 3.610 ( -0.340 0.340 -7.943) 7.957 3.774 ( -0.698 0.698 -0.668) 1.192 4.314 ( -6.191 6.191 9.544) 12.952 4.694 ( 0.583 -0.583 -4.344) 4.421 4.818 ( -1.136 1.136 0.585) 1.710 4.919 ( -4.553 4.553 0.288) 6.445 5.088 ( 1.358 -1.358 7.719) 7.954 5.197 ( -3.231 3.231 0.852) 4.648 5.276 ( -2.052 2.052 7.646) 8.178 5.425 ( 0.498 -0.498 -7.598) 7.630 5.511 ( -3.778 3.778 -3.625) 6.457 5.706 ( 4.914 -4.914 1.384) 7.087 7.053 ( -1.050 1.050 -5.943) 6.126 7.286 ( -1.128 1.128 -1.779) 2.390 7.659 ( 0.879 -0.879 9.797) 9.876 7.942 ( -8.423 8.423 -1.186) 11.970 8.074 ( -8.617 8.617 0.911) 12.220 8.111 ( 0.622 -0.622 -2.263) 2.428 8.365 ( 3.138 -3.138 -0.434) 4.459 8.559 ( 5.419 -5.419 -3.006) 8.232 8.735 ( 0.759 -0.759 2.320) 2.557 9.053 ( 8.331 -8.331 0.569) 11.796 9.139 ( 1.183 -1.183 1.243) 2.084 10.830 ( 0.943 -0.943 -5.329) 5.493 11.088 ( 0.027 -0.027 -9.097) 9.097 11.278 ( -17.280 17.280 16.148) 29.292 12.066 ( -11.977 11.977 -10.010) 19.674 12.310 ( 12.419 -12.419 10.126) 20.273 13.015 ( 14.397 -14.397 -10.338) 22.834 13.227 ( -1.165 1.165 7.425) 7.606 15.800 ( 0.930 -0.930 0.087) 1.318 ======================= Grid point 46 (26/90) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 0.000 17.786 0.000) 17.786 0.403 ( 0.000 19.841 0.000) 19.841 0.919 ( 0.000 43.423 0.000) 43.423 1.648 ( 0.000 3.693 0.000) 3.693 2.035 ( 0.000 19.257 0.000) 19.257 2.584 ( 0.000 11.972 0.000) 11.972 3.310 ( -0.000 -0.382 -0.000) 0.382 3.393 ( 0.000 5.434 0.000) 5.434 4.158 ( 0.000 4.644 0.000) 4.644 4.570 ( 0.000 2.566 0.000) 2.566 4.601 ( 0.000 0.503 0.000) 0.503 5.065 ( -0.000 -5.654 -0.000) 5.654 5.174 ( -0.000 -1.006 -0.000) 1.006 5.178 ( -0.000 -0.683 -0.000) 0.683 5.345 ( -0.000 -1.504 -0.000) 1.504 5.729 ( -0.000 -2.107 -0.000) 2.107 6.005 ( 0.000 5.757 0.000) 5.757 6.335 ( 0.000 9.564 0.000) 9.564 6.895 ( -0.000 -2.462 -0.000) 2.462 7.181 ( -0.000 -4.832 -0.000) 4.832 7.237 ( -0.000 -0.780 -0.000) 0.780 7.430 ( 0.000 4.877 0.000) 4.877 8.134 ( 0.000 1.255 0.000) 1.255 8.693 ( -0.000 -3.558 -0.000) 3.558 8.929 ( 0.000 6.078 0.000) 6.078 8.987 ( 0.000 0.898 0.000) 0.898 9.407 ( -0.000 -4.264 -0.000) 4.264 9.912 ( -0.000 -1.437 -0.000) 1.437 9.990 ( -0.000 -2.613 -0.000) 2.613 11.034 ( 0.000 4.457 0.000) 4.457 11.673 ( -0.000 -5.946 -0.000) 5.946 11.821 ( 0.000 8.377 0.000) 8.377 11.905 ( -0.000 -5.606 -0.000) 5.606 12.848 ( -0.000 -6.028 -0.000) 6.028 14.978 ( -0.000 -0.630 -0.000) 0.630 16.067 ( -0.000 -1.194 -0.000) 1.194 ======================= Grid point 47 (27/90) ======================= q-point: ( 0.06 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 7.384 17.026 0.000) 18.558 1.040 ( 23.748 11.968 -0.000) 26.593 1.798 ( 6.730 31.873 0.000) 32.576 1.903 ( 15.676 4.073 -0.000) 16.196 2.571 ( 6.109 22.920 0.000) 23.720 2.996 ( 12.052 13.134 0.000) 17.825 3.281 ( -2.220 -3.127 -0.000) 3.835 3.572 ( 12.381 2.270 -0.000) 12.587 4.378 ( 0.703 15.074 0.000) 15.090 4.494 ( -4.828 1.944 0.000) 5.205 4.796 ( 6.893 6.401 -0.000) 9.406 4.871 ( -4.361 -3.006 0.000) 5.297 5.059 ( -4.510 -3.043 0.000) 5.441 5.231 ( 3.390 0.178 -0.000) 3.395 5.457 ( 9.336 -8.998 -0.000) 12.966 5.650 ( -1.819 -3.565 -0.000) 4.002 5.925 ( -14.233 8.601 0.000) 16.630 6.703 ( 9.135 14.896 0.000) 17.474 7.023 ( 13.605 -0.732 -0.000) 13.625 7.046 ( -0.756 -7.422 -0.000) 7.461 7.212 ( 3.896 -4.156 -0.000) 5.697 7.557 ( -3.824 9.949 0.000) 10.659 8.156 ( -1.391 2.683 0.000) 3.022 8.626 ( 2.776 -6.402 -0.000) 6.978 8.959 ( -4.174 1.126 0.000) 4.323 9.173 ( 6.053 11.457 0.000) 12.957 9.238 ( -4.089 -7.877 -0.000) 8.875 9.769 ( -8.108 -3.057 0.000) 8.665 9.881 ( -3.053 -5.041 -0.000) 5.894 11.224 ( 5.683 8.713 0.000) 10.403 11.577 ( 7.766 -11.341 -0.000) 13.745 11.883 ( 9.940 -8.622 -0.000) 13.158 12.005 ( -5.893 15.008 0.000) 16.123 12.613 ( -6.182 -10.159 -0.000) 11.892 14.808 ( -11.537 -3.062 0.000) 11.937 16.019 ( -1.346 -2.096 -0.000) 2.491 ======================= Grid point 48 (28/90) ======================= q-point: ( 0.06 -0.06 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 6.723 12.880 0.000) 14.530 1.692 ( 17.724 9.318 -0.000) 20.024 2.327 ( 14.678 3.511 -0.000) 15.092 2.374 ( 2.844 12.984 0.000) 13.292 3.093 ( 6.644 10.353 0.000) 12.302 3.178 ( 2.233 -0.125 -0.000) 2.237 3.469 ( 11.906 6.275 -0.000) 13.458 3.951 ( 17.021 2.807 -0.000) 17.251 4.566 ( 4.520 7.091 0.000) 8.410 4.678 ( 1.021 9.173 0.000) 9.230 4.756 ( -3.036 -1.494 0.000) 3.384 4.930 ( -3.352 0.617 0.000) 3.409 5.102 ( 6.904 8.755 0.000) 11.150 5.309 ( 3.355 0.262 -0.000) 3.365 5.327 ( -3.374 -5.233 -0.000) 6.227 5.520 ( -2.814 -4.321 -0.000) 5.157 5.859 ( -5.108 2.381 0.000) 5.636 6.894 ( -0.279 -4.627 -0.000) 4.635 7.241 ( 8.890 -6.153 -0.000) 10.812 7.247 ( 13.946 13.558 -0.000) 19.450 7.369 ( 16.413 3.399 -0.000) 16.761 7.652 ( -8.519 11.609 0.000) 14.399 8.190 ( -1.998 3.850 0.000) 4.338 8.545 ( 2.810 -6.704 -0.000) 7.269 8.870 ( -5.627 0.117 0.000) 5.628 8.931 ( -7.272 -10.130 -0.000) 12.470 9.495 ( -11.217 -3.690 0.000) 11.808 9.630 ( 11.048 15.453 0.000) 18.996 9.662 ( -6.286 -6.905 -0.000) 9.337 11.521 ( 13.660 -15.700 -0.000) 20.811 11.610 ( 13.167 8.311 -0.000) 15.570 11.942 ( 9.955 -3.984 -0.000) 10.723 12.063 ( -10.711 -3.686 0.000) 11.327 12.316 ( -12.247 10.564 0.000) 16.174 14.406 ( -16.945 -7.514 0.000) 18.536 15.932 ( -2.458 -2.291 0.000) 3.360 ======================= Grid point 49 (29/90) ======================= q-point: ( 0.06 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 2.854 7.733 0.000) 8.243 2.113 ( 8.070 5.914 -0.000) 10.005 2.457 ( -2.649 -1.894 0.000) 3.257 2.529 ( 2.355 0.025 -0.000) 2.355 3.251 ( 10.412 -1.202 -0.000) 10.481 3.425 ( 3.441 5.968 0.000) 6.889 3.707 ( 4.992 1.437 -0.000) 5.194 4.288 ( 13.018 -1.138 -0.000) 13.068 4.679 ( -2.485 -0.444 0.000) 2.524 4.781 ( 4.764 -1.564 -0.000) 5.014 4.924 ( 12.455 7.446 -0.000) 14.511 4.942 ( -2.016 2.117 0.000) 2.923 5.223 ( -2.662 1.296 0.000) 2.961 5.354 ( 0.581 -2.064 -0.000) 2.145 5.379 ( 5.377 4.033 -0.000) 6.721 5.388 ( -0.672 -2.003 -0.000) 2.113 5.775 ( -4.847 -0.093 0.000) 4.848 6.900 ( 3.282 1.894 -0.000) 3.789 7.288 ( 6.895 -6.326 -0.000) 9.358 7.705 ( -6.992 10.095 0.000) 12.280 7.751 ( 14.748 5.057 -0.000) 15.591 7.763 ( 15.721 1.371 -0.000) 15.780 8.208 ( -2.598 1.338 0.000) 2.923 8.499 ( 0.572 -0.344 -0.000) 0.667 8.567 ( -8.509 -8.171 0.000) 11.797 8.764 ( -3.575 0.233 0.000) 3.583 9.201 ( -12.193 -0.386 0.000) 12.200 9.363 ( -8.344 -6.725 0.000) 10.717 10.225 ( 13.986 17.013 0.000) 22.024 11.473 ( 9.783 -17.650 -0.000) 20.180 11.569 ( -6.547 -16.096 -0.000) 17.376 11.856 ( 16.319 -13.177 -0.000) 20.975 12.339 ( 10.296 20.790 0.000) 23.200 12.415 ( -17.654 22.900 0.000) 28.915 13.830 ( -19.341 -11.884 0.000) 22.701 15.841 ( -2.467 -1.194 0.000) 2.741 ======================= Grid point 50 (30/90) ======================= q-point: ( 0.06 -0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -2.346 2.346 0.000) 3.317 2.267 ( -2.182 2.182 0.000) 3.086 2.364 ( 2.606 -2.606 -0.000) 3.686 2.537 ( -0.200 0.200 0.000) 0.282 3.352 ( 6.327 -6.327 -0.000) 8.948 3.537 ( -1.243 1.243 0.000) 1.758 3.771 ( 1.255 -1.255 -0.000) 1.775 4.412 ( 6.794 -6.794 -0.000) 9.608 4.647 ( -1.082 1.082 0.000) 1.530 4.826 ( 1.286 -1.286 -0.000) 1.819 4.919 ( 4.351 -4.351 -0.000) 6.153 5.183 ( 1.868 -1.868 -0.000) 2.641 5.233 ( -0.836 0.836 0.000) 1.182 5.305 ( 0.654 -0.654 -0.000) 0.925 5.392 ( 0.862 -0.862 -0.000) 1.219 5.436 ( 5.373 -5.373 -0.000) 7.598 5.718 ( -5.539 5.539 0.000) 7.833 6.997 ( 0.808 -0.808 -0.000) 1.143 7.267 ( 1.469 -1.469 -0.000) 2.077 7.761 ( -2.087 2.087 0.000) 2.951 7.929 ( 8.898 -8.898 -0.000) 12.583 8.083 ( 8.787 -8.788 -0.000) 12.427 8.084 ( 0.384 -0.383 -0.000) 0.542 8.361 ( -2.881 2.881 0.000) 4.074 8.529 ( -6.148 6.148 0.000) 8.695 8.757 ( -0.688 0.688 0.000) 0.973 9.059 ( -8.685 8.685 0.000) 12.283 9.153 ( -0.886 0.886 0.000) 1.252 10.780 ( -1.003 1.003 0.000) 1.419 11.000 ( 0.069 -0.069 -0.000) 0.097 11.491 ( 19.020 -19.020 -0.000) 26.898 11.880 ( 15.496 -15.496 -0.000) 21.915 12.472 ( -21.760 21.760 0.000) 30.773 12.883 ( -10.408 10.408 0.000) 14.719 13.296 ( 1.207 -1.207 -0.000) 1.707 15.801 ( -0.909 0.909 0.000) 1.285 ======================= Grid point 56 (31/90) ======================= q-point: ( 0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 12.895 3.735) 13.425 1.339 ( 0.000 15.597 13.343) 20.526 1.875 ( 0.000 2.623 9.560) 9.913 2.377 ( 0.000 21.591 3.701) 21.906 2.888 ( 0.000 8.163 0.861) 8.208 3.072 ( 0.000 6.598 0.590) 6.624 3.277 ( -0.000 -6.851 -3.071) 7.508 3.343 ( -0.000 10.604 -6.060) 12.213 4.550 ( -0.000 9.588 -6.868) 11.794 4.727 ( -0.000 2.113 -0.685) 2.221 4.853 ( 0.000 9.744 -0.108) 9.744 4.873 ( 0.000 3.261 1.435) 3.562 5.074 ( -0.000 0.070 -3.088) 3.089 5.119 ( -0.000 -1.671 -0.387) 1.715 5.302 ( 0.000 -2.432 2.586) 3.550 5.592 ( -0.000 -3.526 0.257) 3.536 6.290 ( 0.000 3.264 1.176) 3.470 6.713 ( -0.000 -5.288 -2.174) 5.718 6.807 ( -0.000 -6.495 -2.109) 6.829 6.935 ( 0.000 12.487 0.424) 12.494 7.216 ( 0.000 -0.902 10.007) 10.048 7.757 ( -0.000 12.627 -7.885) 14.886 8.325 ( 0.000 2.283 6.128) 6.539 8.471 ( 0.000 -7.010 1.906) 7.264 8.988 ( -0.000 -3.530 -1.288) 3.758 9.093 ( -0.000 -6.212 0.288) 6.219 9.433 ( 0.000 15.648 4.460) 16.271 9.715 ( -0.000 -6.410 -6.268) 8.965 9.871 ( 0.000 -1.645 1.747) 2.400 11.026 ( -0.000 -14.538 -13.111) 19.577 11.332 ( -0.000 9.173 -3.551) 9.836 11.703 ( 0.000 -11.598 13.125) 17.515 12.425 ( 0.000 14.099 4.904) 14.928 12.473 ( -0.000 -5.042 -3.217) 5.980 14.837 ( -0.000 -5.546 -3.037) 6.323 15.990 ( -0.000 -1.966 -0.073) 1.967 ======================= Grid point 57 (32/90) ======================= q-point: ( 0.27 -0.07 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 15.597 7.767 0.324) 17.427 1.658 ( 1.810 12.809 7.971) 15.195 2.115 ( 15.942 2.111 8.202) 18.052 2.624 ( -3.316 5.178 2.478) 6.629 3.051 ( 10.479 -1.396 -0.228) 10.574 3.103 ( -1.358 -3.883 -1.263) 4.303 3.280 ( 11.542 1.495 -0.026) 11.639 3.667 ( 9.285 5.220 -4.191) 11.447 4.675 ( -1.883 6.148 -2.127) 6.772 4.708 ( -1.194 -1.323 -2.617) 3.166 4.864 ( -3.424 -1.649 3.044) 4.870 5.035 ( -0.944 0.416 -0.171) 1.046 5.083 ( 4.137 5.220 -2.913) 7.270 5.200 ( 5.234 1.441 -0.679) 5.471 5.259 ( -1.306 -1.912 -1.478) 2.747 5.516 ( 0.998 -4.616 4.589) 6.585 6.128 ( -14.314 2.932 -0.927) 14.640 6.664 ( 5.959 -6.315 -2.369) 9.000 6.954 ( 18.501 -1.059 -0.621) 18.541 7.190 ( 1.455 2.966 4.296) 5.419 7.272 ( 7.135 3.817 4.922) 9.471 7.963 ( -4.826 10.629 -5.910) 13.084 8.323 ( -2.121 -0.132 0.042) 2.125 8.403 ( 2.388 -1.580 0.604) 2.926 8.817 ( -3.581 -6.533 -0.749) 7.488 8.999 ( -3.363 -0.443 4.851) 5.919 9.533 ( -4.203 -6.537 -5.421) 9.476 9.756 ( -8.567 1.925 0.103) 8.781 9.849 ( 5.516 16.921 4.775) 18.427 10.782 ( 7.687 -17.331 -13.389) 23.210 11.402 ( 9.184 -12.489 11.598) 19.361 11.802 ( 9.179 11.717 -3.052) 15.194 12.106 ( -5.392 -15.205 12.013) 20.114 12.856 ( -6.854 25.042 -11.434) 28.369 14.563 ( -11.689 -8.724 0.420) 14.592 15.941 ( -1.762 -0.881 -0.141) 1.975 ======================= Grid point 58 (33/90) ======================= q-point: ( 0.27 -0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 1.672 9.147 2.964) 9.759 1.932 ( 13.248 1.322 -1.803) 13.435 2.429 ( 6.097 -2.623 3.022) 7.293 2.533 ( -0.534 -1.311 4.118) 4.355 3.040 ( 5.705 -4.902 2.889) 8.058 3.303 ( 15.085 -2.974 1.769) 15.476 3.540 ( 11.866 -1.045 0.772) 11.937 3.870 ( 11.171 -5.754 -5.817) 13.847 4.605 ( 2.716 -5.964 -0.482) 6.571 4.751 ( 0.191 -0.540 0.416) 0.708 4.870 ( 1.917 4.954 0.731) 5.362 4.924 ( -1.938 -8.583 1.019) 8.858 5.165 ( 0.099 -2.109 -6.095) 6.450 5.197 ( 1.316 -1.834 -4.380) 4.928 5.323 ( 5.284 -1.848 1.509) 5.798 5.462 ( 0.173 -1.550 7.552) 7.711 5.974 ( -9.472 6.123 -2.580) 11.570 6.776 ( 10.706 0.139 1.057) 10.759 7.216 ( 1.065 0.972 3.951) 4.206 7.359 ( 18.371 -0.891 -0.460) 18.399 7.436 ( 11.877 -8.561 1.965) 14.772 7.918 ( -6.934 -2.551 -7.734) 10.696 8.237 ( -3.895 -2.505 1.795) 4.967 8.534 ( 3.489 7.852 -1.184) 8.673 8.642 ( -6.364 0.418 1.904) 6.656 8.958 ( -6.200 4.940 2.459) 8.300 9.312 ( -5.674 -3.046 -2.694) 6.980 9.584 ( -13.035 4.488 -0.926) 13.817 10.379 ( 11.072 16.183 4.832) 20.195 10.630 ( 11.896 -16.558 -13.395) 24.395 11.331 ( 12.839 -16.766 12.342) 24.460 11.612 ( -8.960 -15.437 11.338) 21.146 12.395 ( 14.514 18.321 -6.346) 24.220 13.143 ( -12.815 21.652 -14.463) 29.021 14.047 ( -19.077 -9.379 6.674) 22.281 15.891 ( -2.771 0.787 -0.063) 2.881 ======================= Grid point 59 (34/90) ======================= q-point: (-0.73 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -4.486 4.486 1.117) 6.442 2.138 ( 7.354 -7.354 -2.371) 10.667 2.302 ( 0.896 -0.896 -0.552) 1.382 2.608 ( -0.521 0.521 5.163) 5.215 3.064 ( 9.932 -9.932 5.061) 14.930 3.454 ( 8.258 -8.258 4.117) 12.383 3.662 ( 5.561 -5.561 2.223) 8.172 3.915 ( 12.052 -12.052 -8.390) 18.997 4.643 ( 7.355 -7.355 -0.120) 10.403 4.691 ( 4.744 -4.744 0.698) 6.746 4.751 ( -1.615 1.615 3.311) 4.023 4.995 ( 5.451 -5.451 -1.574) 7.867 5.144 ( -0.770 0.770 -6.934) 7.019 5.154 ( 3.070 -3.070 -5.245) 6.808 5.350 ( 4.107 -4.107 2.907) 6.495 5.454 ( -0.929 0.929 7.823) 7.933 5.951 ( -6.843 6.843 -3.167) 10.182 6.965 ( 3.046 -3.046 4.496) 6.226 7.200 ( 3.095 -3.095 3.514) 5.613 7.447 ( 12.832 -12.832 -1.185) 18.186 7.641 ( 10.556 -10.556 0.003) 14.928 7.738 ( 0.235 -0.235 -10.730) 10.735 8.115 ( -0.312 0.312 7.168) 7.182 8.583 ( -6.972 6.972 1.250) 9.939 8.808 ( -5.414 5.414 -1.166) 7.744 8.809 ( -2.498 2.498 -2.187) 4.155 9.257 ( -5.199 5.199 0.988) 7.419 9.466 ( -10.269 10.269 -1.631) 14.614 10.560 ( 16.397 -16.397 -13.736) 26.951 10.894 ( -1.989 1.989 4.886) 5.638 11.074 ( 1.701 -1.701 7.833) 8.194 11.365 ( 15.593 -15.593 15.938) 27.208 12.955 ( -11.994 11.994 -20.183) 26.365 13.139 ( 2.967 -2.967 -7.067) 8.219 13.634 ( -16.359 16.359 13.259) 26.665 15.870 ( -2.319 2.319 0.038) 3.279 ======================= Grid point 65 (35/90) ======================= q-point: (-0.52 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -0.000 -0.990 -2.488) 2.678 1.902 ( -0.000 2.535 -3.199) 4.082 2.117 ( 0.000 0.384 4.932) 4.947 2.718 ( 0.000 -6.010 3.107) 6.765 2.846 ( 0.000 -2.184 0.607) 2.267 3.045 ( 0.000 -0.531 1.399) 1.496 3.150 ( 0.000 -1.349 0.809) 1.573 3.534 ( -0.000 -5.788 -3.861) 6.958 4.601 ( -0.000 -7.329 0.247) 7.333 4.711 ( -0.000 -1.417 -2.248) 2.657 4.952 ( 0.000 3.538 -0.020) 3.538 4.975 ( -0.000 -4.929 1.029) 5.036 5.046 ( 0.000 -3.682 1.322) 3.913 5.090 ( -0.000 -1.610 -0.871) 1.831 5.321 ( -0.000 2.705 -1.191) 2.956 5.496 ( 0.000 -2.272 4.513) 5.053 6.375 ( -0.000 1.615 -2.912) 3.330 6.512 ( 0.000 1.185 0.573) 1.316 6.692 ( 0.000 3.126 0.112) 3.128 7.143 ( -0.000 -7.825 1.162) 7.910 7.413 ( 0.000 1.432 6.225) 6.387 7.920 ( -0.000 -10.712 -7.096) 12.849 8.352 ( 0.000 6.069 0.025) 6.069 8.415 ( -0.000 6.162 -1.878) 6.442 8.826 ( 0.000 1.457 2.011) 2.484 9.165 ( 0.000 0.203 2.697) 2.704 9.390 ( -0.000 0.308 -1.147) 1.188 9.897 ( -0.000 2.655 -1.500) 3.049 10.049 ( -0.000 -11.738 -8.589) 14.545 10.319 ( 0.000 12.118 4.753) 13.017 11.261 ( 0.000 -13.984 12.695) 18.887 11.868 ( -0.000 14.848 -9.127) 17.429 12.121 ( 0.000 -15.707 17.517) 23.527 13.045 ( -0.000 15.955 -22.738) 27.777 14.602 ( 0.000 -2.758 5.878) 6.493 15.958 ( 0.000 0.853 -0.098) 0.859 ======================= Grid point 66 (36/90) ======================= q-point: (-0.52 -0.08 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 15.529 -5.410 -6.029) 17.514 1.891 ( 0.654 -4.609 -12.099) 12.964 2.288 ( 15.465 -0.351 3.390) 15.836 2.491 ( -2.232 -10.476 0.489) 10.722 2.927 ( 9.459 -4.853 6.994) 12.726 2.991 ( 0.429 -3.717 3.656) 5.231 3.235 ( 12.435 -4.913 1.627) 13.469 3.376 ( 6.839 -14.955 -5.732) 17.415 4.384 ( 2.107 -11.718 1.218) 11.968 4.709 ( -0.058 0.484 -0.324) 0.585 4.803 ( -2.087 -8.123 0.450) 8.399 4.939 ( -0.614 -5.427 2.313) 5.932 4.978 ( 2.612 -2.473 -1.464) 3.883 5.109 ( 0.404 -0.714 -0.814) 1.156 5.313 ( -2.856 2.018 1.240) 3.710 5.525 ( 3.863 0.159 5.413) 6.653 6.241 ( -11.411 4.077 -4.413) 12.896 6.664 ( 7.916 4.974 2.991) 9.815 6.950 ( 10.725 -10.353 1.176) 14.953 7.028 ( 11.964 -0.374 -0.063) 11.970 7.372 ( -1.744 -7.211 9.050) 11.702 7.641 ( -2.146 -9.530 -10.965) 14.686 8.384 ( -4.080 0.316 3.354) 5.291 8.614 ( 2.338 9.368 -3.333) 10.214 8.884 ( -3.706 7.465 3.013) 8.862 9.076 ( -4.200 -3.909 -3.061) 6.502 9.475 ( -2.613 10.076 2.631) 10.736 9.804 ( 3.475 -10.723 -10.131) 15.156 9.890 ( -5.181 0.079 -4.874) 7.114 10.696 ( 6.340 14.964 8.381) 18.286 11.061 ( 7.039 -12.707 13.335) 19.719 11.722 ( -6.482 -15.152 15.976) 22.953 12.308 ( 11.623 14.762 -9.640) 21.117 13.190 ( -6.806 2.841 -23.882) 24.995 14.504 ( -10.980 6.036 8.507) 15.145 15.971 ( -1.721 2.092 0.013) 2.709 ======================= Grid point 67 (37/90) ======================= q-point: (-0.52 -0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 11.677 -11.677 -5.985) 17.565 1.764 ( 7.268 -7.268 -13.601) 17.048 2.336 ( 2.425 -2.425 -3.518) 4.913 2.661 ( 15.709 -15.709 4.687) 22.704 2.669 ( 0.955 -0.955 3.063) 3.348 3.143 ( 10.462 -10.462 10.420) 18.096 3.233 ( 11.298 -11.298 -8.303) 18.006 3.336 ( 12.214 -12.214 2.841) 17.505 4.291 ( 8.538 -8.538 0.551) 12.087 4.636 ( 0.357 -0.357 1.493) 1.576 4.781 ( 2.079 -2.079 -1.613) 3.353 4.816 ( 1.485 -1.485 3.365) 3.966 4.990 ( 3.477 -3.477 -0.188) 4.920 5.085 ( -0.834 0.834 -2.989) 3.213 5.314 ( -0.878 0.878 3.153) 3.388 5.585 ( 1.001 -1.001 5.604) 5.781 6.156 ( -7.249 7.249 -5.171) 11.482 6.885 ( 13.228 -13.228 -0.259) 18.709 6.932 ( 3.117 -3.117 6.712) 8.030 7.125 ( 4.951 -4.951 4.212) 8.171 7.299 ( 6.274 -6.274 0.212) 8.875 7.481 ( 2.182 -2.182 -6.511) 7.206 8.313 ( -2.890 2.890 4.769) 6.281 8.834 ( -2.779 2.779 -4.008) 5.613 8.880 ( -1.555 1.555 -3.505) 4.138 8.943 ( -6.485 6.485 3.243) 9.727 9.600 ( -8.723 8.723 1.352) 12.410 9.737 ( 11.573 -11.573 -12.582) 20.644 9.787 ( -7.660 7.660 -3.564) 11.405 10.974 ( 9.949 -9.949 13.248) 19.325 11.092 ( -1.397 1.397 8.500) 8.726 11.354 ( 2.728 -2.728 15.579) 16.049 12.830 ( 3.001 -3.001 -12.132) 12.853 12.907 ( -2.990 2.990 -16.132) 16.677 14.451 ( -15.197 15.197 4.203) 21.899 15.974 ( -2.449 2.449 0.124) 3.466 ======================= Grid point 71 (38/90) ======================= q-point: ( 0.48 -0.08 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -7.634 7.980 10.722) 15.392 1.786 ( -7.813 12.480 5.425) 15.692 2.427 ( -8.770 -0.946 1.298) 8.916 2.578 ( 0.775 11.616 6.842) 13.504 3.049 ( -9.278 5.738 -2.927) 11.295 3.262 ( -4.588 11.341 3.541) 12.736 3.437 ( -7.587 9.356 0.068) 12.046 3.686 ( -7.249 15.104 -10.121) 19.573 4.516 ( -7.055 6.952 -3.178) 10.402 4.743 ( -1.834 0.036 -1.626) 2.451 4.752 ( -7.270 1.137 2.984) 7.940 4.964 ( -5.748 -0.687 -2.933) 6.490 4.978 ( 2.207 -1.161 2.289) 3.386 5.083 ( -2.176 -1.178 -2.881) 3.798 5.351 ( 0.300 2.655 -1.432) 3.031 5.679 ( 2.333 2.762 -3.133) 4.784 5.911 ( 3.813 -10.485 6.267) 12.796 6.942 ( 6.245 12.329 -1.549) 13.907 7.178 ( -10.064 8.054 -0.939) 12.924 7.300 ( -2.140 10.937 2.062) 11.334 7.442 ( -9.755 4.518 4.209) 11.545 7.470 ( -6.535 -3.287 -6.365) 9.696 8.287 ( 0.262 -4.411 2.360) 5.009 8.619 ( 8.054 3.150 2.989) 9.151 8.823 ( 6.849 -6.142 -2.060) 9.427 8.923 ( -1.983 -7.611 0.398) 7.876 9.472 ( 8.967 -4.465 -3.985) 10.781 9.605 ( 4.123 -11.279 1.856) 12.152 9.816 ( -15.382 11.125 9.246) 21.115 11.081 ( 14.578 11.158 -12.957) 22.470 11.461 ( -14.274 9.978 -10.086) 20.126 11.860 ( -13.245 -6.952 -14.716) 20.984 12.323 ( 14.545 3.834 12.886) 19.807 12.631 ( 2.352 -3.603 20.145) 20.600 14.321 ( 6.721 -17.274 -4.954) 19.186 15.927 ( 2.299 -2.554 -0.186) 3.441 ======================= Grid point 74 (39/90) ======================= q-point: (-0.31 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -0.000 -10.996 -10.289) 15.059 1.380 ( -0.000 -14.311 -17.648) 22.721 1.992 ( -0.000 -4.024 -5.942) 7.177 2.028 ( -0.000 -22.214 -15.089) 26.854 2.640 ( -0.000 -22.342 -10.219) 24.568 2.900 ( -0.000 -10.678 -0.452) 10.687 3.018 ( 0.000 -3.458 12.829) 13.287 3.219 ( 0.000 -2.406 11.591) 11.838 4.187 ( 0.000 -9.221 4.825) 10.407 4.696 ( -0.000 -5.584 -0.797) 5.641 4.723 ( -0.000 -2.127 -2.440) 3.237 4.829 ( 0.000 0.260 2.177) 2.193 4.960 ( 0.000 -1.897 6.160) 6.445 5.128 ( 0.000 0.017 1.310) 1.311 5.405 ( -0.000 2.667 -1.763) 3.197 5.558 ( 0.000 -1.186 4.785) 4.930 6.380 ( -0.000 4.338 -5.068) 6.671 6.562 ( -0.000 -13.993 1.627) 14.088 6.800 ( 0.000 5.289 3.353) 6.263 6.950 ( 0.000 5.761 1.386) 5.925 7.240 ( -0.000 -13.313 1.520) 13.399 7.465 ( 0.000 -3.628 1.187) 3.817 8.461 ( -0.000 2.633 -4.359) 5.092 8.685 ( -0.000 7.211 -4.427) 8.462 8.976 ( -0.000 -3.397 -0.214) 3.404 9.174 ( 0.000 6.907 4.750) 8.383 9.281 ( -0.000 -11.198 -9.019) 14.378 9.760 ( 0.000 9.392 1.936) 9.590 9.984 ( -0.000 3.440 -3.997) 5.273 10.966 ( 0.000 -6.226 10.117) 11.879 11.095 ( 0.000 8.638 10.914) 13.918 11.794 ( 0.000 -15.880 17.127) 23.356 12.215 ( -0.000 10.918 -13.922) 17.693 12.852 ( -0.000 -4.231 -15.668) 16.229 14.903 ( 0.000 10.285 2.147) 10.507 16.033 ( 0.000 2.129 -0.035) 2.129 ======================= Grid point 75 (40/90) ======================= q-point: (-0.31 -0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 13.157 -13.157 -10.404) 21.318 1.078 ( 12.988 -12.988 -13.736) 22.936 1.764 ( 9.176 -9.176 -27.598) 30.497 2.053 ( 15.326 -15.326 4.584) 22.153 2.283 ( 6.729 -6.729 -20.467) 22.572 2.788 ( 10.486 -10.486 -2.684) 15.070 3.068 ( 2.980 -2.980 13.239) 13.894 3.116 ( 6.402 -6.402 16.036) 18.415 4.106 ( 1.686 -1.686 2.641) 3.558 4.597 ( -0.452 0.452 -3.147) 3.211 4.717 ( 4.149 -4.149 -1.206) 5.990 4.851 ( -2.666 2.666 4.523) 5.888 4.955 ( 1.231 -1.231 7.798) 7.990 5.100 ( -0.811 0.811 0.571) 1.281 5.435 ( -1.559 1.559 1.399) 2.611 5.561 ( 3.667 -3.667 2.052) 5.577 6.384 ( -5.864 5.864 -2.270) 8.598 6.416 ( 5.717 -5.717 -2.590) 8.490 6.959 ( 1.683 -1.683 4.633) 5.209 7.004 ( 3.181 -3.181 3.810) 5.896 7.130 ( 2.421 -2.421 1.965) 3.948 7.342 ( 4.759 -4.759 3.275) 7.485 8.482 ( -4.768 4.768 -2.796) 7.300 8.822 ( -1.129 1.129 -4.901) 5.154 8.878 ( 0.333 -0.333 0.892) 1.009 9.170 ( 6.166 -6.166 -9.273) 12.728 9.248 ( -4.128 4.128 4.560) 7.408 9.924 ( -7.255 7.255 -2.596) 10.583 9.954 ( -4.146 4.146 -4.471) 7.374 10.890 ( 4.794 -4.794 10.137) 12.195 11.312 ( -0.422 0.422 11.273) 11.288 11.503 ( 4.734 -4.734 15.540) 16.920 12.483 ( 1.550 -1.550 -14.759) 14.920 12.646 ( 4.691 -4.691 -8.780) 11.005 15.019 ( -11.830 11.830 -2.114) 16.864 16.055 ( -1.369 1.369 -0.097) 1.938 ======================= Grid point 78 (41/90) ======================= q-point: (-0.31 -0.09 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 6.848 7.129 -5.802) 11.463 1.888 ( 2.217 10.893 -1.925) 11.282 2.544 ( 2.671 2.294 -1.182) 3.714 2.568 ( -0.354 0.958 -3.671) 3.811 3.125 ( 0.264 7.759 0.091) 7.764 3.327 ( 1.310 15.139 -0.072) 15.196 3.559 ( 3.787 11.073 -4.088) 12.397 3.781 ( 1.838 11.769 7.803) 14.240 4.623 ( 2.719 2.447 1.875) 4.110 4.749 ( 1.734 5.704 -0.286) 5.969 4.861 ( -1.226 -2.000 -3.136) 3.916 4.990 ( 3.521 -2.156 0.910) 4.227 5.074 ( 2.441 -3.108 3.308) 5.154 5.116 ( 1.900 0.073 2.223) 2.925 5.352 ( 0.189 6.613 0.088) 6.616 5.623 ( -2.599 1.564 -1.932) 3.596 5.866 ( -0.339 -10.576 -0.544) 10.595 6.823 ( -4.117 12.205 0.647) 12.897 7.269 ( 1.633 4.830 -4.537) 6.825 7.352 ( 0.544 14.582 1.924) 14.718 7.532 ( 3.547 10.011 -1.972) 10.802 7.722 ( 10.262 -6.828 3.921) 12.934 8.264 ( -2.268 -3.261 0.283) 3.983 8.484 ( -3.895 3.675 -1.225) 5.493 8.699 ( -3.541 -6.808 0.711) 7.706 8.976 ( 2.180 -7.263 -3.517) 8.359 9.316 ( -5.613 -5.731 4.795) 9.346 9.545 ( -1.310 -12.279 -0.689) 12.368 10.158 ( 17.712 11.394 -9.465) 23.089 10.742 ( -17.874 11.886 12.959) 25.074 11.739 ( 8.048 13.866 4.166) 16.565 11.986 ( -4.989 5.307 -4.901) 8.779 12.107 ( -2.633 -11.330 0.093) 11.632 12.603 ( 4.883 -1.693 -5.042) 7.220 14.225 ( -3.560 -19.978 1.840) 20.376 15.892 ( -1.012 -2.695 0.121) 2.881 ======================= Grid point 79 (42/90) ======================= q-point: ( 0.69 -0.09 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 1.228 0.926 -0.267) 1.561 2.150 ( 0.013 10.248 1.396) 10.343 2.397 ( -3.984 -5.972 -1.686) 7.375 2.641 ( 2.369 -0.410 -2.233) 3.281 3.295 ( -3.738 8.845 -2.989) 10.057 3.608 ( -1.136 9.932 -2.052) 10.205 3.808 ( 1.352 6.965 -9.036) 11.489 3.922 ( -7.951 9.449 12.242) 17.389 4.712 ( -1.764 7.122 -0.248) 7.342 4.809 ( -0.663 0.115 -4.725) 4.773 4.881 ( -6.634 -2.885 0.250) 7.238 4.978 ( 2.985 6.250 2.338) 7.310 5.015 ( -0.138 1.057 4.244) 4.376 5.159 ( -4.119 1.070 3.044) 5.232 5.465 ( -2.573 5.259 -1.317) 6.001 5.582 ( -0.372 -1.280 -6.147) 6.290 5.754 ( 4.588 -5.643 4.461) 8.532 7.064 ( 1.890 11.833 -4.540) 12.814 7.313 ( 0.277 0.131 -3.748) 3.761 7.496 ( -4.618 -3.407 8.652) 10.382 7.736 ( -6.973 13.846 -1.172) 15.547 7.808 ( -3.861 11.560 1.069) 12.235 8.188 ( 0.706 -2.774 -1.065) 3.054 8.515 ( 1.213 -8.083 -1.109) 8.249 8.592 ( 6.701 3.472 0.917) 7.602 8.824 ( -0.930 -9.373 -0.095) 9.419 9.171 ( 4.215 -4.820 0.314) 6.411 9.293 ( 2.912 -13.055 0.700) 13.394 10.651 ( -17.946 15.576 13.868) 27.514 10.782 ( 16.729 13.162 -10.568) 23.765 11.524 ( -15.354 -12.402 -14.795) 24.667 11.978 ( -14.049 14.735 -10.835) 23.063 12.237 ( 16.849 -6.992 17.618) 25.361 12.861 ( 11.535 8.008 9.081) 16.722 13.695 ( -0.158 -25.002 -5.056) 25.508 15.836 ( 0.939 -2.445 -0.010) 2.619 ======================= Grid point 83 (43/90) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -0.000 0.000 -18.366) 18.366 0.344 ( -0.000 0.000 -18.366) 18.366 0.820 ( -0.000 0.000 -43.509) 43.509 1.754 ( -0.000 0.000 -16.890) 16.890 1.794 ( 0.000 -0.000 4.444) 4.444 2.481 ( -0.000 0.000 -3.166) 3.166 3.224 ( 0.000 -0.000 9.559) 9.559 3.224 ( 0.000 -0.000 9.559) 9.559 4.132 ( 0.000 -0.000 1.131) 1.131 4.570 ( -0.000 0.000 -2.259) 2.259 4.570 ( -0.000 0.000 -2.259) 2.259 5.086 ( 0.000 -0.000 8.163) 8.163 5.086 ( 0.000 -0.000 8.163) 8.163 5.124 ( 0.000 -0.000 0.768) 0.768 5.419 ( -0.000 0.000 -3.746) 3.746 5.419 ( -0.000 0.000 -3.746) 3.746 6.229 ( 0.000 -0.000 0.519) 0.519 6.788 ( 0.000 -0.000 2.435) 2.435 6.931 ( -0.000 0.000 -0.893) 0.893 6.931 ( -0.000 0.000 -0.893) 0.893 7.179 ( 0.000 -0.000 5.197) 5.197 7.179 ( 0.000 -0.000 5.197) 5.197 8.763 ( -0.000 0.000 -3.453) 3.453 8.763 ( -0.000 0.000 -3.453) 3.453 8.787 ( 0.000 -0.000 7.015) 7.015 8.911 ( -0.000 0.000 -4.821) 4.821 9.414 ( 0.000 -0.000 3.626) 3.626 9.963 ( -0.000 0.000 -3.539) 3.539 10.062 ( -0.000 0.000 -4.533) 4.533 10.938 ( 0.000 -0.000 5.327) 5.327 11.545 ( 0.000 -0.000 13.175) 13.175 11.545 ( 0.000 -0.000 13.175) 13.175 12.173 ( -0.000 0.000 -15.293) 15.293 12.173 ( -0.000 0.000 -15.293) 15.293 15.330 ( 0.000 -0.000 0.069) 0.069 16.080 ( -0.000 0.000 -0.141) 0.141 ======================= Grid point 85 (44/90) ======================= q-point: (-0.10 -0.10 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 10.131 10.131 -13.054) 19.383 1.485 ( 14.600 14.600 -3.044) 20.871 2.091 ( 15.060 15.060 -5.155) 21.913 2.319 ( 9.310 9.310 -12.103) 17.884 2.775 ( 15.430 15.430 1.531) 21.875 3.215 ( -1.395 -1.395 1.482) 2.468 3.269 ( 12.267 12.267 0.231) 17.350 3.719 ( 10.239 10.239 10.730) 18.022 4.420 ( 8.813 8.813 3.851) 13.044 4.526 ( 2.353 2.353 -5.508) 6.435 4.788 ( -2.372 -2.372 1.102) 3.530 4.918 ( 5.737 5.737 1.967) 8.348 4.991 ( -3.271 -3.271 -1.768) 4.953 5.160 ( 0.668 0.668 9.261) 9.309 5.409 ( -2.134 -2.134 2.574) 3.967 5.765 ( 2.386 2.386 3.068) 4.561 5.821 ( -7.497 -7.497 -14.081) 17.626 6.901 ( 10.437 10.437 2.118) 14.911 7.070 ( 1.501 1.501 -5.540) 5.933 7.204 ( 5.709 5.709 5.431) 9.730 7.313 ( 5.112 5.112 0.552) 7.251 7.453 ( 0.504 0.504 2.954) 3.039 8.207 ( -0.932 -0.932 -6.065) 6.206 8.681 ( -2.030 -2.030 -3.012) 4.161 8.869 ( -2.082 -2.082 0.912) 3.082 9.084 ( -7.510 -7.510 3.188) 11.088 9.399 ( 11.319 11.319 -4.901) 16.741 9.641 ( -7.225 -7.225 -3.275) 10.730 9.744 ( -5.463 -5.463 4.575) 8.979 11.339 ( 10.220 10.220 5.451) 15.447 11.540 ( -0.199 -0.199 14.994) 14.997 11.857 ( 3.077 3.077 4.784) 6.467 12.250 ( 1.551 1.551 -17.471) 17.608 12.439 ( -9.395 -9.395 -3.053) 13.633 14.562 ( -10.572 -10.572 1.527) 15.028 15.980 ( -2.298 -2.298 0.116) 3.252 ======================= Grid point 86 (45/90) ======================= q-point: (-0.10 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 7.274 7.274 -8.852) 13.571 1.979 ( 9.208 9.208 -1.659) 13.127 2.437 ( 1.918 1.918 0.725) 2.808 2.567 ( 2.230 2.230 -5.841) 6.638 3.265 ( 7.795 7.795 0.824) 11.054 3.293 ( 5.821 5.821 -7.015) 10.816 3.627 ( 5.381 5.381 1.601) 7.777 4.135 ( 8.720 8.720 8.602) 15.036 4.707 ( 0.330 0.330 -0.111) 0.480 4.740 ( 5.324 5.324 1.346) 7.649 4.781 ( 7.371 7.371 -4.450) 11.334 4.907 ( 0.120 0.120 -2.041) 2.048 5.095 ( 1.342 1.342 9.965) 10.144 5.174 ( 1.788 1.788 5.732) 6.265 5.407 ( 2.256 2.256 -1.788) 3.657 5.573 ( -4.463 -4.463 -9.485) 11.393 5.778 ( -1.520 -1.520 2.783) 3.517 6.957 ( 0.165 0.165 -7.913) 7.917 7.407 ( 4.991 4.991 6.699) 9.731 7.431 ( -1.137 -1.137 2.322) 2.825 7.543 ( 13.113 13.113 -0.275) 18.546 7.650 ( 9.865 9.865 -0.023) 13.951 8.189 ( -0.163 -0.163 -1.824) 1.838 8.579 ( -2.911 -2.911 -2.171) 4.654 8.743 ( -8.621 -8.621 1.362) 12.268 8.776 ( -2.155 -2.155 0.241) 3.057 9.313 ( -8.399 -8.399 -2.265) 12.092 9.472 ( -7.320 -7.320 4.354) 11.231 9.947 ( 14.911 14.911 -5.378) 21.762 11.529 ( -0.332 -0.332 16.755) 16.761 11.819 ( 10.356 10.356 9.501) 17.457 11.920 ( -11.008 -11.008 -10.608) 18.838 12.049 ( 4.353 4.353 5.754) 8.426 12.312 ( 1.375 1.375 -19.316) 19.413 14.061 ( -13.985 -13.985 2.585) 19.946 15.878 ( -2.434 -2.434 0.189) 3.448 ======================= Grid point 87 (46/90) ======================= q-point: (-0.10 -0.10 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 2.634 2.634 -7.382) 8.268 2.225 ( 2.914 2.914 -1.325) 4.329 2.394 ( -1.902 -1.902 1.912) 3.301 2.565 ( -0.813 -0.813 -2.572) 2.818 3.429 ( 1.260 1.260 -0.029) 1.782 3.556 ( 4.760 4.760 -10.548) 12.513 3.763 ( 1.625 1.625 0.534) 2.360 4.358 ( 2.308 2.308 9.451) 9.999 4.691 ( -0.179 -0.179 -4.105) 4.113 4.829 ( -0.020 -0.020 0.686) 0.686 4.951 ( 1.791 1.791 -0.373) 2.561 5.077 ( -0.697 -0.697 8.448) 8.505 5.155 ( 6.849 6.849 -0.552) 9.702 5.277 ( 1.885 1.885 7.917) 8.353 5.437 ( -1.561 -1.561 -6.932) 7.275 5.544 ( 2.312 2.312 -3.639) 4.892 5.672 ( -2.909 -2.909 1.334) 4.325 7.031 ( 2.607 2.607 -6.914) 7.835 7.331 ( -2.738 -2.738 -0.664) 3.928 7.606 ( 3.808 3.808 8.169) 9.785 7.987 ( 6.941 6.941 -0.164) 9.818 8.009 ( 6.277 6.277 -0.799) 8.913 8.181 ( -0.393 -0.393 0.391) 0.679 8.393 ( -5.346 -5.346 0.654) 7.588 8.514 ( -1.843 -1.843 -3.939) 4.724 8.727 ( -0.023 -0.023 1.579) 1.580 9.012 ( -5.142 -5.142 -0.459) 7.287 9.187 ( -5.354 -5.354 2.370) 7.934 10.586 ( 15.550 15.550 -5.947) 22.781 11.318 ( -15.241 -15.241 -8.607) 23.208 11.517 ( -0.178 -0.178 18.072) 18.073 11.993 ( 1.212 1.212 13.842) 13.947 12.353 ( 0.554 0.554 -20.544) 20.559 12.600 ( 15.576 15.576 -2.014) 22.119 13.447 ( -14.977 -14.977 4.139) 21.581 15.802 ( -1.081 -1.081 0.129) 1.534 ======================= Grid point 92 (47/90) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.000 16.855 0.000) 16.855 0.808 ( 0.000 19.691 0.000) 19.691 1.714 ( 0.000 3.030 0.000) 3.030 1.737 ( 0.000 35.833 0.000) 35.833 2.512 ( 0.000 23.969 0.000) 23.969 2.859 ( 0.000 13.099 0.000) 13.099 3.311 ( 0.000 1.100 0.000) 1.100 3.426 ( -0.000 -3.153 -0.000) 3.153 4.377 ( 0.000 16.259 0.000) 16.259 4.613 ( 0.000 0.681 0.000) 0.681 4.666 ( 0.000 7.170 0.000) 7.170 4.943 ( -0.000 -5.400 -0.000) 5.400 5.146 ( -0.000 -1.653 -0.000) 1.653 5.155 ( -0.000 -1.605 -0.000) 1.605 5.308 ( -0.000 -2.025 -0.000) 2.025 5.669 ( -0.000 -3.687 -0.000) 3.687 6.143 ( 0.000 7.177 0.000) 7.177 6.598 ( 0.000 15.361 0.000) 15.361 6.825 ( -0.000 -4.210 -0.000) 4.210 7.040 ( -0.000 -8.764 -0.000) 8.764 7.183 ( -0.000 -3.793 -0.000) 3.793 7.598 ( 0.000 10.832 0.000) 10.832 8.176 ( 0.000 2.889 0.000) 2.889 8.590 ( -0.000 -6.276 -0.000) 6.276 9.006 ( 0.000 0.708 0.000) 0.708 9.110 ( 0.000 11.556 0.000) 11.556 9.280 ( -0.000 -8.032 -0.000) 8.032 9.872 ( -0.000 -2.444 -0.000) 2.444 9.914 ( -0.000 -4.538 -0.000) 4.538 11.165 ( 0.000 8.114 0.000) 8.114 11.496 ( -0.000 -11.242 -0.000) 11.242 11.742 ( -0.000 -9.961 -0.000) 9.961 12.067 ( 0.000 15.147 0.000) 15.147 12.678 ( -0.000 -10.034 -0.000) 10.034 14.950 ( -0.000 -2.411 -0.000) 2.411 16.033 ( -0.000 -2.012 -0.000) 2.012 ======================= Grid point 93 (48/90) ======================= q-point: ( 0.11 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 3.566 16.948 0.000) 17.319 1.282 ( 19.849 11.436 -0.000) 22.908 1.973 ( 16.884 3.033 -0.000) 17.154 2.343 ( 0.416 20.249 0.000) 20.253 2.955 ( 6.478 12.246 0.000) 13.854 3.202 ( -4.324 -4.332 -0.000) 6.121 3.204 ( 11.925 6.870 -0.000) 13.763 3.609 ( 14.850 3.332 -0.000) 15.219 4.565 ( -3.703 4.874 0.000) 6.121 4.693 ( -1.591 12.089 0.000) 12.193 4.824 ( -3.316 -1.468 0.000) 3.626 4.958 ( 7.177 9.098 0.000) 11.588 5.011 ( -4.572 -0.766 0.000) 4.636 5.223 ( 4.942 -0.967 -0.000) 5.036 5.322 ( 3.265 -4.273 -0.000) 5.378 5.565 ( -1.572 -4.714 -0.000) 4.969 6.059 ( -13.818 4.782 0.000) 14.622 6.870 ( 2.376 -9.401 -0.000) 9.696 6.985 ( 15.291 1.610 -0.000) 15.375 7.028 ( 11.820 11.496 -0.000) 16.488 7.130 ( 2.194 -2.891 -0.000) 3.629 7.791 ( -4.832 12.158 0.000) 13.083 8.233 ( -1.861 4.675 0.000) 5.032 8.483 ( 2.670 -6.768 -0.000) 7.276 8.968 ( -3.504 -0.638 0.000) 3.561 9.046 ( -3.922 -10.511 -0.000) 11.218 9.454 ( 5.984 15.717 0.000) 16.818 9.711 ( -8.172 -3.534 0.000) 8.904 9.772 ( -5.108 -4.355 0.000) 6.713 11.301 ( 7.512 -15.419 -0.000) 17.151 11.395 ( 7.677 4.281 -0.000) 8.790 11.696 ( 11.830 -5.448 -0.000) 13.024 12.233 ( -5.759 -3.963 0.000) 6.991 12.518 ( -6.975 12.167 0.000) 14.025 14.725 ( -12.747 -5.676 0.000) 13.953 15.974 ( -1.536 -2.052 -0.000) 2.563 ======================= Grid point 94 (49/90) ======================= q-point: ( 0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 2.359 12.289 0.000) 12.513 1.857 ( 16.668 6.720 -0.000) 17.971 2.375 ( 13.792 1.599 -0.000) 13.884 2.526 ( -3.878 2.080 0.000) 4.401 3.095 ( 3.231 -3.057 -0.000) 4.448 3.287 ( 10.015 3.484 -0.000) 10.603 3.542 ( 11.413 1.330 -0.000) 11.490 3.978 ( 15.556 -0.154 -0.000) 15.557 4.719 ( 5.228 6.453 0.000) 8.305 4.721 ( 0.302 -3.206 -0.000) 3.220 4.744 ( -2.813 1.249 0.000) 3.078 4.994 ( -2.585 1.842 0.000) 3.174 5.259 ( 6.489 4.758 -0.000) 8.047 5.276 ( -1.805 0.184 0.000) 1.815 5.298 ( 4.154 -1.209 -0.000) 4.326 5.424 ( -1.996 -4.920 -0.000) 5.309 5.902 ( -8.510 2.790 0.000) 8.956 6.810 ( 5.804 -3.484 -0.000) 6.769 7.158 ( 4.051 -1.113 -0.000) 4.202 7.375 ( 19.885 0.119 -0.000) 19.886 7.472 ( 13.403 4.279 -0.000) 14.070 7.880 ( -8.579 9.722 0.000) 12.966 8.269 ( -2.999 2.294 0.000) 3.776 8.453 ( 3.015 -0.643 -0.000) 3.082 8.725 ( -6.666 -9.044 -0.000) 11.235 8.861 ( -4.955 0.038 0.000) 4.955 9.445 ( -10.200 -3.241 0.000) 10.702 9.545 ( -9.885 -2.255 0.000) 10.139 9.972 ( 10.611 17.673 0.000) 20.614 11.171 ( 13.281 -18.151 -0.000) 22.491 11.515 ( 15.910 -14.507 -0.000) 21.531 11.810 ( -10.852 -15.125 -0.000) 18.615 12.088 ( 13.532 15.917 0.000) 20.892 12.747 ( -14.119 25.520 0.000) 29.166 14.233 ( -18.959 -10.235 0.000) 21.545 15.896 ( -2.672 -1.093 0.000) 2.887 ======================= Grid point 95 (50/90) ======================= q-point: ( 0.11 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -1.930 7.196 0.000) 7.450 2.204 ( 8.596 2.359 -0.000) 8.913 2.386 ( -4.368 -4.158 0.000) 6.030 2.532 ( 1.570 0.494 -0.000) 1.646 3.179 ( 10.061 -5.850 -0.000) 11.639 3.492 ( 5.981 0.143 -0.000) 5.983 3.709 ( 5.240 -1.307 -0.000) 5.401 4.200 ( 13.187 -7.259 -0.000) 15.053 4.686 ( -2.685 1.095 0.000) 2.900 4.721 ( 7.512 -3.667 -0.000) 8.359 4.880 ( -0.884 -8.116 -0.000) 8.164 5.032 ( 10.481 2.850 -0.000) 10.861 5.271 ( -2.436 2.992 0.000) 3.858 5.297 ( 0.346 -2.634 -0.000) 2.656 5.349 ( 3.608 -6.131 -0.000) 7.114 5.360 ( 2.236 -1.696 -0.000) 2.806 5.843 ( -6.480 6.102 0.000) 8.901 6.933 ( 5.658 0.871 -0.000) 5.725 7.216 ( 3.437 -1.559 -0.000) 3.774 7.692 ( 13.281 -8.715 -0.000) 15.885 7.760 ( 18.536 -2.285 -0.000) 18.677 7.841 ( -6.711 3.217 0.000) 7.442 8.140 ( -3.235 -7.877 -0.000) 8.516 8.479 ( -7.296 0.644 0.000) 7.324 8.601 ( 0.760 9.478 0.000) 9.508 8.809 ( -5.509 3.381 0.000) 6.464 9.214 ( -5.902 -0.779 0.000) 5.953 9.315 ( -13.392 4.597 0.000) 14.159 10.574 ( 12.859 16.689 0.000) 21.068 11.094 ( 14.427 -18.776 -0.000) 23.679 11.250 ( -11.381 -14.611 -0.000) 18.520 11.523 ( 18.152 -18.212 -0.000) 25.714 12.782 ( 14.257 22.142 0.000) 26.335 12.915 ( -20.811 25.247 0.000) 32.719 13.563 ( -20.477 -14.882 0.000) 25.314 15.837 ( -2.421 0.764 0.000) 2.539 ======================= Grid point 101 (51/90) ======================= q-point: ( 0.32 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.000 8.443 0.877) 8.489 1.648 ( 0.000 14.457 7.575) 16.321 1.926 ( 0.000 2.380 9.133) 9.439 2.661 ( 0.000 6.139 2.968) 6.819 2.924 ( -0.000 -2.211 -1.012) 2.431 3.137 ( -0.000 -6.302 -1.684) 6.523 3.146 ( 0.000 1.330 -0.106) 1.334 3.565 ( -0.000 8.042 -3.302) 8.694 4.708 ( -0.000 6.449 -2.248) 6.829 4.730 ( -0.000 -1.519 -4.778) 5.014 4.909 ( 0.000 -1.544 2.865) 3.254 5.009 ( -0.000 3.178 -1.131) 3.374 5.067 ( 0.000 -0.864 0.718) 1.123 5.123 ( -0.000 1.678 -1.619) 2.332 5.279 ( 0.000 1.102 0.681) 1.296 5.503 ( 0.000 -4.972 2.793) 5.702 6.364 ( -0.000 3.755 -2.029) 4.268 6.595 ( -0.000 -5.905 -3.096) 6.667 6.680 ( 0.000 -3.146 0.884) 3.268 7.156 ( 0.000 5.647 0.364) 5.659 7.218 ( 0.000 1.607 9.549) 9.683 8.013 ( -0.000 11.056 -6.057) 12.607 8.350 ( 0.000 -0.795 0.265) 0.838 8.373 ( 0.000 -1.238 0.327) 1.281 8.854 ( -0.000 -6.519 -0.693) 6.556 9.034 ( 0.000 -0.671 5.202) 5.245 9.577 ( -0.000 -6.916 -5.413) 8.783 9.778 ( 0.000 17.700 4.105) 18.170 9.867 ( 0.000 1.384 0.032) 1.385 10.699 ( -0.000 -16.842 -13.319) 21.472 11.303 ( 0.000 -13.110 12.828) 18.342 11.699 ( 0.000 12.320 -3.172) 12.722 12.164 ( 0.000 -15.566 12.068) 19.696 12.928 ( -0.000 25.594 -12.252) 28.376 14.687 ( -0.000 -9.404 0.333) 9.410 15.960 ( -0.000 -0.784 -0.148) 0.798 ======================= Grid point 102 (52/90) ======================= q-point: ( 0.32 -0.12 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 15.201 2.054 -2.206) 15.497 1.904 ( -0.607 11.114 2.403) 11.387 2.154 ( 14.950 1.638 6.716) 16.471 2.603 ( -3.495 -6.388 3.277) 7.985 2.989 ( 12.856 -4.682 0.718) 13.701 3.009 ( -0.595 -5.048 0.974) 5.175 3.280 ( 11.699 -1.281 -0.074) 11.769 3.686 ( 6.672 -4.104 -4.175) 8.876 4.598 ( -1.280 -8.711 -1.091) 8.872 4.748 ( -0.771 0.065 -2.111) 2.249 4.897 ( -2.970 4.504 0.909) 5.471 4.953 ( -0.596 -7.729 1.414) 7.880 5.097 ( 4.259 -3.072 -2.045) 5.636 5.167 ( 4.204 -2.668 -0.898) 5.059 5.285 ( -2.689 1.031 -1.791) 3.391 5.438 ( 2.148 -2.394 6.054) 6.856 6.210 ( -13.292 4.944 -2.248) 14.359 6.588 ( 6.884 -0.816 -0.234) 6.936 6.958 ( 18.058 1.277 -0.607) 18.114 7.192 ( 5.516 -6.238 0.821) 8.368 7.274 ( 1.815 -0.464 7.209) 7.448 8.036 ( -4.163 -5.519 -8.627) 11.055 8.307 ( -2.688 -0.248 2.073) 3.404 8.473 ( 2.274 7.897 -1.392) 8.335 8.745 ( -3.517 0.117 2.269) 4.187 9.056 ( -3.334 6.227 3.354) 7.819 9.409 ( -3.509 -4.640 -3.182) 6.631 9.818 ( -9.254 4.178 -1.327) 10.240 10.192 ( 6.897 13.374 2.707) 15.289 10.445 ( 6.203 -12.860 -11.667) 18.439 11.096 ( 8.791 -15.613 14.097) 22.798 11.778 ( -6.071 -15.142 10.615) 19.463 12.121 ( 10.756 16.261 -4.690) 20.053 13.363 ( -7.835 22.877 -17.905) 30.089 14.356 ( -10.652 -10.274 7.749) 16.705 15.941 ( -1.861 0.799 -0.108) 2.029 ======================= Grid point 103 (53/90) ======================= q-point: (-0.68 -0.12 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 15.000 -3.579 -3.710) 15.861 2.050 ( -2.383 5.006 -4.264) 6.995 2.321 ( -1.124 -6.027 3.142) 6.889 2.532 ( 9.660 0.982 5.973) 11.399 2.884 ( 4.751 -11.202 4.532) 12.985 3.192 ( 16.540 -8.081 3.923) 18.822 3.481 ( 11.898 -5.197 0.979) 13.021 3.676 ( 10.446 -12.811 -6.962) 17.936 4.468 ( 6.673 -7.258 -0.193) 9.861 4.686 ( -1.469 -8.182 0.506) 8.328 4.774 ( -0.235 -1.112 1.909) 2.222 4.901 ( 1.672 -3.179 -0.173) 3.597 5.098 ( 2.885 -2.852 -4.735) 6.235 5.160 ( 0.064 -1.527 -4.207) 4.476 5.270 ( 2.894 -2.724 3.027) 4.996 5.465 ( 0.264 1.384 6.185) 6.343 6.106 ( -8.697 6.323 -3.197) 11.218 6.814 ( 10.273 2.792 2.658) 10.972 7.151 ( 7.308 -9.582 0.983) 12.090 7.211 ( 4.318 -10.566 4.018) 12.101 7.347 ( 16.049 -0.604 -0.148) 16.061 7.784 ( -3.039 -8.618 -10.875) 14.204 8.173 ( -4.522 -2.514 8.444) 9.903 8.717 ( -2.367 8.539 -0.712) 8.889 8.748 ( -0.399 8.965 0.023) 8.974 9.006 ( -8.320 -1.736 -2.507) 8.861 9.367 ( -4.967 9.024 0.952) 10.344 9.698 ( -11.726 6.308 -1.764) 13.432 10.263 ( 12.377 -15.396 -13.186) 23.751 10.735 ( 9.465 14.258 4.782) 17.769 11.004 ( 11.598 -14.500 13.207) 22.786 11.315 ( -9.251 -13.320 10.044) 19.076 12.761 ( 16.863 16.912 -7.103) 24.917 13.369 ( -14.526 -4.520 -18.249) 23.759 14.019 ( -18.070 11.476 11.267) 24.190 15.923 ( -2.685 2.164 0.045) 3.449 ======================= Grid point 110 (54/90) ======================= q-point: (-0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.000 -5.910 -6.651) 8.898 1.886 ( -0.000 -4.912 -12.964) 13.863 2.106 ( 0.000 -1.728 2.617) 3.136 2.520 ( -0.000 -12.063 0.112) 12.063 2.793 ( 0.000 -3.076 6.638) 7.316 3.041 ( 0.000 -0.756 7.948) 7.984 3.087 ( -0.000 -5.468 0.536) 5.494 3.290 ( -0.000 -16.874 -7.748) 18.568 4.367 ( -0.000 -13.305 1.448) 13.384 4.712 ( -0.000 1.041 -1.394) 1.740 4.833 ( -0.000 -7.660 1.227) 7.758 4.938 ( -0.000 -5.205 -1.658) 5.463 4.948 ( 0.000 -5.321 3.081) 6.149 5.098 ( 0.000 2.014 -0.062) 2.015 5.377 ( -0.000 2.619 -1.308) 2.927 5.459 ( 0.000 -1.018 7.132) 7.204 6.408 ( -0.000 1.749 -4.318) 4.659 6.579 ( 0.000 4.618 2.985) 5.499 6.776 ( 0.000 1.494 0.753) 1.673 6.916 ( -0.000 -9.708 0.687) 9.732 7.391 ( 0.000 -6.408 9.295) 11.289 7.664 ( -0.000 -10.385 -10.861) 15.027 8.429 ( 0.000 0.549 3.730) 3.771 8.588 ( -0.000 9.492 -3.664) 10.174 8.922 ( 0.000 7.499 3.161) 8.138 9.119 ( -0.000 -3.946 -3.160) 5.055 9.503 ( 0.000 10.082 2.715) 10.441 9.746 ( -0.000 -14.683 -12.028) 18.981 9.970 ( -0.000 4.225 -2.951) 5.154 10.629 ( 0.000 14.793 7.596) 16.630 10.986 ( 0.000 -12.121 13.522) 18.159 11.795 ( 0.000 -15.682 16.955) 23.095 12.176 ( -0.000 14.544 -10.111) 17.714 13.262 ( -0.000 3.110 -24.667) 24.862 14.619 ( 0.000 6.081 8.937) 10.809 15.989 ( 0.000 2.024 -0.047) 2.024 ======================= Grid point 111 (55/90) ======================= q-point: (-0.47 -0.13 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 16.493 -6.706 -8.741) 19.834 1.679 ( 2.262 -16.361 -12.757) 20.870 2.232 ( 18.637 -6.952 2.499) 20.047 2.308 ( 0.504 -6.160 -10.760) 12.409 2.748 ( -2.575 -11.953 6.542) 13.867 2.891 ( 9.378 -5.038 4.450) 11.538 3.074 ( 6.567 -13.294 1.170) 14.874 3.080 ( 10.913 -10.398 0.597) 15.086 4.168 ( 3.438 -8.055 0.469) 8.771 4.664 ( -2.416 -3.619 0.802) 4.425 4.741 ( 0.779 0.903 0.445) 1.273 4.817 ( -0.041 -5.204 2.036) 5.589 4.906 ( 4.148 -4.132 1.823) 6.132 5.103 ( -0.771 -0.480 -0.776) 1.194 5.357 ( -3.260 2.402 2.304) 4.659 5.535 ( 3.712 0.301 4.076) 5.521 6.322 ( -8.601 3.863 -3.206) 9.959 6.649 ( 9.088 -12.351 -0.298) 15.337 6.790 ( 6.997 3.881 5.337) 9.618 7.087 ( 8.780 1.166 0.561) 8.875 7.141 ( 0.208 -10.540 4.875) 11.615 7.483 ( -1.021 -8.400 -3.932) 9.330 8.384 ( -3.338 0.666 6.233) 7.102 8.793 ( 2.258 7.706 -4.186) 9.055 8.981 ( -4.137 -3.144 -4.046) 6.586 9.054 ( -3.876 6.502 3.470) 8.327 9.550 ( 6.451 -11.009 -12.485) 17.851 9.727 ( -3.710 13.802 -1.061) 14.331 9.962 ( -8.151 3.855 -3.627) 9.719 10.808 ( 5.721 -8.036 13.365) 16.611 10.993 ( 6.399 9.815 8.658) 14.569 11.434 ( -5.481 -12.657 14.018) 19.665 12.580 ( 12.098 11.293 -10.505) 19.602 13.082 ( -6.750 -11.798 -15.291) 20.459 14.738 ( -11.197 15.296 2.436) 19.112 16.017 ( -1.591 2.290 0.001) 2.789 ======================= Grid point 116 (56/90) ======================= q-point: ( 0.53 -0.13 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -5.355 5.355 9.908) 12.470 2.022 ( -8.710 8.710 2.952) 12.667 2.414 ( 0.128 -0.128 -2.065) 2.073 2.671 ( 0.115 -0.115 3.981) 3.985 3.235 ( -8.284 8.284 -2.584) 11.998 3.472 ( -9.319 9.319 11.988) 17.816 3.589 ( -5.910 5.910 -2.447) 8.708 3.943 ( -8.708 8.708 -11.346) 16.745 4.699 ( -6.767 6.767 -2.949) 10.014 4.708 ( -2.144 2.144 -0.038) 3.032 4.871 ( -5.438 5.438 4.892) 9.115 4.941 ( -0.743 0.743 -6.586) 6.669 4.956 ( 0.277 -0.277 3.296) 3.319 5.079 ( -0.622 0.622 -3.497) 3.606 5.416 ( -3.400 3.400 -0.584) 4.844 5.704 ( 0.977 -0.977 -5.156) 5.338 5.739 ( 5.694 -5.694 8.115) 11.432 7.151 ( -1.568 1.568 12.226) 12.425 7.252 ( -4.681 4.681 -9.417) 11.511 7.370 ( -0.757 0.757 -4.220) 4.354 7.551 ( -11.463 11.463 0.642) 16.224 7.647 ( -9.850 9.850 -0.262) 13.932 8.221 ( 1.621 -1.621 1.075) 2.533 8.619 ( 5.034 -5.034 1.320) 7.240 8.723 ( 5.602 -5.602 0.056) 7.923 8.774 ( 2.236 -2.236 0.143) 3.165 9.366 ( 9.172 -9.172 3.215) 13.364 9.378 ( 6.729 -6.729 -5.294) 10.889 10.089 ( -15.276 15.276 9.819) 23.730 11.243 ( 1.056 -1.056 -13.793) 13.874 11.578 ( -5.110 5.110 -15.402) 17.013 11.894 ( -11.509 11.509 -10.884) 19.580 12.196 ( 12.606 -12.606 18.358) 25.590 12.660 ( -2.080 2.080 17.774) 18.016 13.985 ( 14.208 -14.208 -5.780) 20.908 15.874 ( 2.422 -2.422 -0.219) 3.432 ======================= Grid point 119 (57/90) ======================= q-point: (-0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -0.000 -7.658 -14.564) 16.455 0.990 ( -0.000 -22.950 -13.167) 26.459 1.678 ( -0.000 -10.328 -32.625) 34.221 1.849 ( 0.000 -10.761 3.141) 11.210 2.238 ( -0.000 -12.395 -19.397) 23.019 2.669 ( -0.000 -10.378 -3.327) 10.898 2.987 ( 0.000 -0.605 15.577) 15.589 3.086 ( 0.000 -8.492 15.337) 17.532 4.097 ( 0.000 -0.420 2.311) 2.348 4.626 ( -0.000 -1.572 -1.694) 2.311 4.651 ( -0.000 -3.375 -2.547) 4.228 4.887 ( 0.000 3.516 5.920) 6.885 4.935 ( 0.000 -0.594 7.787) 7.810 5.115 ( 0.000 -0.910 1.725) 1.950 5.449 ( -0.000 1.565 -1.459) 2.140 5.511 ( 0.000 -3.164 1.986) 3.735 6.313 ( -0.000 -9.156 0.974) 9.208 6.527 ( -0.000 10.414 -2.854) 10.798 6.893 ( 0.000 3.325 2.940) 4.438 7.016 ( 0.000 -8.012 4.498) 9.188 7.048 ( 0.000 3.471 2.616) 4.346 7.305 ( 0.000 -12.263 4.082) 12.925 8.547 ( 0.000 5.377 0.893) 5.451 8.802 ( -0.000 4.080 -4.907) 6.382 8.898 ( -0.000 -3.862 -0.527) 3.898 9.105 ( -0.000 -5.975 -9.296) 11.051 9.291 ( 0.000 4.128 4.628) 6.201 9.965 ( -0.000 9.340 -4.120) 10.209 10.054 ( -0.000 4.267 -4.946) 6.532 10.841 ( 0.000 -4.474 10.154) 11.095 11.260 ( 0.000 5.813 10.912) 12.363 11.496 ( 0.000 -13.277 15.140) 20.137 12.389 ( -0.000 5.894 -14.126) 15.307 12.642 ( -0.000 -14.248 -10.751) 17.849 15.161 ( 0.000 13.382 -1.721) 13.492 16.070 ( 0.000 1.345 -0.181) 1.357 ======================= Grid point 123 (58/90) ======================= q-point: (-0.26 -0.14 0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 4.357 2.713 -6.253) 8.090 2.130 ( 2.309 9.645 -0.891) 9.958 2.428 ( 0.964 -5.639 1.437) 5.899 2.638 ( -2.057 0.025 -2.598) 3.314 3.324 ( 0.973 8.690 0.078) 8.744 3.597 ( 2.485 11.096 -5.089) 12.458 3.718 ( 6.613 4.970 -5.961) 10.196 4.018 ( -1.080 9.771 11.835) 15.385 4.717 ( 0.991 5.712 0.044) 5.797 4.820 ( 1.264 -1.284 -3.069) 3.559 4.916 ( 1.227 6.922 3.062) 7.668 4.951 ( 1.212 -1.684 -0.824) 2.232 5.005 ( 0.448 1.326 3.723) 3.977 5.146 ( 4.991 1.130 2.112) 5.536 5.475 ( 1.746 5.169 -0.330) 5.466 5.625 ( -3.674 -1.466 -4.773) 6.199 5.704 ( 0.078 -5.212 2.322) 5.706 7.079 ( -3.553 11.394 -4.298) 12.686 7.300 ( 0.632 1.493 -2.532) 3.006 7.491 ( 5.410 -6.000 6.916) 10.635 7.755 ( 7.529 13.305 0.788) 15.308 7.788 ( 3.162 13.523 -1.087) 13.930 8.201 ( -1.356 -2.486 0.475) 2.871 8.525 ( -2.017 -5.992 -0.203) 6.325 8.575 ( -5.336 0.940 -0.750) 5.470 8.809 ( 2.033 -8.506 -1.612) 8.893 9.186 ( -5.725 -7.243 1.331) 9.327 9.294 ( -2.582 -11.254 1.135) 11.602 10.426 ( 17.476 14.705 -10.328) 25.066 11.013 ( -16.677 13.913 14.294) 26.000 11.789 ( 2.547 -13.810 5.326) 15.019 11.918 ( -1.741 -9.243 -3.909) 10.186 12.145 ( 4.678 18.798 1.340) 19.418 12.667 ( 2.628 5.795 -10.523) 12.297 13.774 ( -6.733 -23.150 3.325) 24.338 15.837 ( -1.068 -2.458 0.136) 2.683 ======================= Grid point 124 (59/90) ======================= q-point: ( 0.74 -0.14 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.108 -0.108 -2.928) 2.932 2.300 ( 1.086 -1.086 -2.384) 2.836 2.304 ( -2.750 2.750 2.508) 4.628 2.611 ( 1.547 -1.547 -1.765) 2.811 3.414 ( -3.006 3.006 -1.149) 4.404 3.735 ( -3.216 3.216 -2.050) 4.988 3.875 ( 0.336 -0.336 -12.734) 12.743 4.088 ( -5.860 5.860 14.465) 16.671 4.792 ( 0.554 -0.554 -6.140) 6.190 4.813 ( -0.589 0.589 -0.155) 0.847 4.882 ( -3.259 3.259 4.605) 6.514 4.982 ( 0.484 -0.484 2.692) 2.778 5.158 ( -1.849 1.849 4.077) 4.843 5.182 ( -4.075 4.075 0.855) 5.826 5.549 ( 1.138 -1.138 -5.637) 5.862 5.554 ( -3.149 3.149 -1.063) 4.578 5.665 ( 3.380 -3.380 3.127) 5.712 7.207 ( -1.701 1.701 -10.394) 10.669 7.320 ( -0.150 0.150 -1.526) 1.541 7.442 ( -0.243 0.243 12.880) 12.885 7.966 ( -8.151 8.151 -1.299) 11.600 8.053 ( -8.091 8.091 1.338) 11.520 8.149 ( 1.466 -1.466 -1.632) 2.639 8.374 ( 3.773 -3.773 -0.518) 5.361 8.624 ( 3.779 -3.779 -3.684) 6.491 8.675 ( 1.015 -1.015 3.946) 4.199 9.040 ( 7.371 -7.371 0.866) 10.461 9.122 ( 2.195 -2.195 0.140) 3.107 10.975 ( 0.771 -0.771 -10.364) 10.422 10.981 ( -15.921 15.921 14.701) 26.890 11.324 ( 0.301 -0.301 -14.781) 14.788 11.912 ( 14.108 -14.108 16.598) 25.953 12.416 ( -18.051 18.051 -11.864) 28.150 13.027 ( -1.039 1.039 13.982) 14.059 13.197 ( 17.196 -17.196 -8.932) 25.907 15.799 ( 0.982 -0.982 0.034) 1.389 ======================= Grid point 138 (60/90) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 14.268 0.000) 14.268 1.201 ( 0.000 18.744 0.000) 18.744 1.775 ( 0.000 2.928 0.000) 2.928 2.341 ( 0.000 22.504 0.000) 22.504 2.878 ( 0.000 9.501 0.000) 9.501 3.068 ( 0.000 6.951 0.000) 6.951 3.304 ( -0.000 -7.542 -0.000) 7.542 3.403 ( 0.000 8.823 0.000) 8.823 4.639 ( 0.000 2.499 0.000) 2.499 4.714 ( 0.000 13.370 0.000) 13.370 4.854 ( 0.000 10.335 0.000) 10.335 4.866 ( -0.000 -2.090 -0.000) 2.090 5.109 ( -0.000 -2.078 -0.000) 2.078 5.120 ( -0.000 -1.215 -0.000) 1.215 5.271 ( -0.000 -1.330 -0.000) 1.330 5.582 ( -0.000 -4.848 -0.000) 4.848 6.282 ( 0.000 6.171 0.000) 6.171 6.729 ( -0.000 -4.351 -0.000) 4.351 6.838 ( -0.000 -10.581 -0.000) 10.581 6.925 ( 0.000 15.022 0.000) 15.022 7.115 ( -0.000 -2.149 -0.000) 2.149 7.841 ( 0.000 12.340 0.000) 12.340 8.254 ( 0.000 4.703 0.000) 4.703 8.453 ( -0.000 -6.449 -0.000) 6.449 9.004 ( -0.000 -1.093 -0.000) 1.093 9.087 ( -0.000 -10.638 -0.000) 10.638 9.392 ( 0.000 15.781 0.000) 15.781 9.779 ( -0.000 -6.649 -0.000) 6.649 9.854 ( -0.000 -0.858 -0.000) 0.858 11.224 ( -0.000 -15.205 -0.000) 15.205 11.311 ( 0.000 1.155 0.000) 1.155 11.558 ( -0.000 -2.827 -0.000) 2.827 12.292 ( -0.000 -3.990 -0.000) 3.990 12.590 ( 0.000 12.544 0.000) 12.544 14.865 ( -0.000 -6.271 -0.000) 6.271 15.991 ( -0.000 -1.921 -0.000) 1.921 ======================= Grid point 139 (61/90) ======================= q-point: ( 0.17 -0.17 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 16.964 8.465 -0.000) 18.958 1.569 ( 0.702 15.566 0.000) 15.582 2.031 ( 16.669 2.720 -0.000) 16.889 2.600 ( -2.918 4.998 0.000) 5.787 3.048 ( 9.591 -1.342 -0.000) 9.684 3.114 ( -1.722 -4.426 -0.000) 4.749 3.284 ( 11.684 1.527 -0.000) 11.783 3.710 ( 10.006 4.544 -0.000) 10.989 4.689 ( -1.902 6.757 0.000) 7.020 4.761 ( -3.421 -4.076 -0.000) 5.321 4.814 ( -3.175 0.711 0.000) 3.254 5.037 ( -1.506 0.103 0.000) 1.510 5.117 ( 6.989 4.443 -0.000) 8.282 5.201 ( 4.808 -0.711 -0.000) 4.860 5.285 ( 0.660 1.051 0.000) 1.241 5.458 ( -1.236 -5.781 -0.000) 5.912 6.140 ( -14.445 3.782 0.000) 14.932 6.690 ( 4.950 -7.477 -0.000) 8.966 6.965 ( 19.795 -0.777 -0.000) 19.810 7.121 ( 0.402 2.112 0.000) 2.150 7.241 ( 8.477 5.097 -0.000) 9.892 8.023 ( -5.020 9.733 0.000) 10.952 8.321 ( -1.959 2.617 0.000) 3.269 8.397 ( 2.194 -0.373 -0.000) 2.226 8.831 ( -3.619 -9.550 -0.000) 10.212 8.944 ( -2.924 -0.412 0.000) 2.953 9.587 ( -4.219 -7.397 -0.000) 8.516 9.759 ( -9.508 2.109 0.000) 9.739 9.801 ( 5.857 17.889 0.000) 18.823 10.962 ( 7.023 -17.410 -0.000) 18.774 11.234 ( 10.930 -14.962 -0.000) 18.529 11.838 ( 9.693 14.447 0.000) 17.398 11.983 ( -5.899 -14.999 -0.000) 16.117 12.972 ( -7.672 26.828 0.000) 27.904 14.556 ( -11.718 -11.216 0.000) 16.220 15.943 ( -1.768 -0.872 0.000) 1.971 ======================= Grid point 140 (62/90) ======================= q-point: ( 0.17 -0.17 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -1.400 11.398 0.000) 11.484 1.951 ( 15.750 2.071 -0.000) 15.885 2.406 ( 12.194 1.726 -0.000) 12.315 2.485 ( -4.857 -5.331 -0.000) 7.212 3.010 ( 4.454 -5.707 -0.000) 7.240 3.283 ( 14.103 -3.444 -0.000) 14.518 3.538 ( 11.482 -1.537 -0.000) 11.585 3.926 ( 12.261 -5.447 -0.000) 13.417 4.611 ( 2.560 -6.798 -0.000) 7.264 4.744 ( -2.294 0.506 0.000) 2.349 4.867 ( 3.717 5.443 0.000) 6.591 4.912 ( -1.757 -9.449 -0.000) 9.611 5.246 ( 5.355 -3.601 -0.000) 6.453 5.262 ( 3.680 -2.395 -0.000) 4.390 5.327 ( 0.244 -4.598 -0.000) 4.604 5.328 ( -1.493 2.621 0.000) 3.016 5.999 ( -9.365 6.474 0.000) 11.385 6.766 ( 9.646 -0.461 -0.000) 9.657 7.176 ( 0.279 1.203 0.000) 1.235 7.361 ( 19.711 -1.021 -0.000) 19.737 7.421 ( 12.934 -8.538 -0.000) 15.499 8.004 ( -8.101 1.963 0.000) 8.335 8.209 ( -3.285 -8.706 -0.000) 9.305 8.547 ( 3.362 8.926 0.000) 9.538 8.622 ( -6.186 0.196 0.000) 6.189 8.933 ( -5.645 6.976 0.000) 8.974 9.341 ( -6.028 -4.688 0.000) 7.636 9.593 ( -13.223 5.052 0.000) 14.156 10.332 ( 10.463 16.962 0.000) 19.930 10.802 ( 12.152 -17.315 -0.000) 21.154 11.174 ( 15.505 -17.583 -0.000) 23.442 11.501 ( -10.942 -14.748 -0.000) 18.364 12.454 ( 16.324 18.828 0.000) 24.919 13.296 ( -16.055 27.683 0.000) 32.002 13.969 ( -17.995 -15.739 0.000) 23.907 15.892 ( -2.787 0.731 0.000) 2.881 ======================= Grid point 141 (63/90) ======================= q-point: ( 0.17 0.83 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -6.500 6.500 0.000) 9.192 2.161 ( 7.097 -7.097 -0.000) 10.036 2.332 ( 0.863 -0.863 -0.000) 1.221 2.543 ( 0.165 -0.165 -0.000) 0.234 3.012 ( 10.180 -10.180 -0.000) 14.396 3.413 ( 8.262 -8.262 -0.000) 11.684 3.645 ( 5.381 -5.381 -0.000) 7.609 3.996 ( 12.289 -12.289 -0.000) 17.380 4.646 ( 7.269 -7.269 -0.000) 10.281 4.683 ( 5.183 -5.183 -0.000) 7.330 4.719 ( -1.962 1.962 0.000) 2.775 5.009 ( 5.261 -5.261 -0.000) 7.440 5.225 ( 3.968 -3.968 -0.000) 5.611 5.252 ( 1.841 -1.841 -0.000) 2.603 5.304 ( 3.801 -3.801 -0.000) 5.376 5.338 ( -3.239 3.239 0.000) 4.581 5.980 ( -7.055 7.055 0.000) 9.977 6.924 ( 2.690 -2.690 -0.000) 3.804 7.165 ( 3.374 -3.374 -0.000) 4.772 7.454 ( 13.447 -13.447 -0.000) 19.017 7.641 ( 10.713 -10.713 -0.000) 15.150 7.902 ( -4.351 4.351 0.000) 6.153 7.985 ( 4.594 -4.594 -0.000) 6.496 8.571 ( -6.845 6.845 0.000) 9.681 8.820 ( -6.623 6.623 0.000) 9.367 8.830 ( -2.494 2.494 0.000) 3.526 9.250 ( -4.691 4.691 0.000) 6.634 9.481 ( -10.409 10.409 0.000) 14.720 10.720 ( 15.929 -15.929 -0.000) 22.526 10.849 ( -2.116 2.116 0.000) 2.993 11.031 ( 0.365 -0.365 -0.000) 0.517 11.151 ( 17.508 -17.508 -0.000) 24.760 13.204 ( 3.083 -3.083 -0.000) 4.360 13.236 ( -5.013 5.013 0.000) 7.089 13.419 ( -23.531 23.531 0.000) 33.278 15.869 ( -2.290 2.290 0.000) 3.238 ======================= Grid point 148 (64/90) ======================= q-point: ( 0.38 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -0.000 2.471 -2.179) 3.294 1.921 ( 0.000 12.054 0.675) 12.072 1.969 ( 0.000 1.770 8.654) 8.833 2.643 ( 0.000 -6.998 3.753) 7.941 2.841 ( -0.000 -5.717 0.385) 5.730 3.028 ( -0.000 -4.667 0.764) 4.729 3.146 ( -0.000 -1.166 -0.466) 1.255 3.613 ( -0.000 -3.638 -3.790) 5.253 4.619 ( -0.000 -10.140 -1.603) 10.265 4.763 ( -0.000 -0.323 -2.845) 2.863 4.951 ( 0.000 6.086 -0.101) 6.087 4.953 ( -0.000 -6.453 1.134) 6.552 5.027 ( -0.000 -4.066 0.629) 4.114 5.117 ( -0.000 -2.598 -1.555) 3.027 5.339 ( 0.000 3.383 -0.705) 3.455 5.396 ( 0.000 -5.257 5.426) 7.555 6.433 ( -0.000 2.831 -2.893) 4.048 6.515 ( -0.000 -1.235 -0.609) 1.377 6.687 ( 0.000 3.332 0.355) 3.350 7.121 ( -0.000 -8.368 1.056) 8.434 7.268 ( 0.000 2.109 7.336) 7.633 8.079 ( -0.000 -6.860 -8.793) 11.152 8.336 ( 0.000 0.880 2.146) 2.320 8.448 ( 0.000 7.979 -1.471) 8.114 8.781 ( 0.000 0.056 2.397) 2.398 9.091 ( 0.000 6.536 3.658) 7.490 9.446 ( -0.000 -5.091 -3.244) 6.036 9.924 ( -0.000 3.974 -1.282) 4.176 10.116 ( 0.000 11.731 1.095) 11.782 10.380 ( -0.000 -10.824 -10.733) 15.243 11.001 ( 0.000 -14.967 14.675) 20.961 11.844 ( 0.000 -15.457 11.246) 19.115 12.002 ( -0.000 15.895 -5.089) 16.690 13.445 ( -0.000 23.289 -18.709) 29.873 14.467 ( 0.000 -10.727 8.087) 13.434 15.961 ( 0.000 0.804 -0.136) 0.815 ======================= Grid point 149 (65/90) ======================= q-point: (-0.62 -0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 14.779 -2.931 -4.598) 15.753 2.082 ( -0.580 3.591 -6.877) 7.780 2.171 ( 13.914 -0.334 5.484) 14.959 2.426 ( -1.364 -7.704 5.800) 9.739 2.827 ( 9.248 -10.803 3.677) 14.689 2.908 ( 2.610 -6.054 4.320) 7.882 3.224 ( 11.357 -4.529 -0.247) 12.229 3.500 ( 6.608 -13.354 -5.825) 15.997 4.384 ( 1.999 -11.221 -0.672) 11.417 4.724 ( -1.994 -3.526 -1.172) 4.216 4.785 ( -1.189 -5.529 1.467) 5.842 4.903 ( -0.522 -5.419 1.231) 5.582 5.027 ( 3.852 -4.182 -3.554) 6.705 5.130 ( 1.926 0.176 -1.212) 2.283 5.270 ( -2.400 -0.932 3.634) 4.454 5.437 ( 2.354 1.713 3.425) 4.495 6.309 ( -10.897 4.190 -2.763) 11.997 6.622 ( 7.321 3.502 1.583) 8.268 6.934 ( 10.842 -11.590 0.438) 15.877 7.032 ( 12.388 0.993 -0.278) 12.431 7.227 ( -1.272 -6.205 6.184) 8.853 7.837 ( -1.926 -11.917 -10.309) 15.874 8.263 ( -3.581 -3.190 8.891) 10.102 8.670 ( 2.248 10.256 -2.432) 10.777 8.836 ( -3.595 7.553 1.831) 8.563 9.138 ( -4.465 -1.440 -2.968) 5.551 9.448 ( -2.800 10.808 0.580) 11.180 9.912 ( -8.371 4.424 -2.540) 9.803 10.066 ( 6.667 -13.642 -12.361) 19.580 10.580 ( 5.374 13.639 3.973) 15.188 10.801 ( 7.375 -12.257 14.252) 20.192 11.481 ( -6.007 -13.646 9.428) 17.640 12.451 ( 12.030 15.461 -5.445) 20.332 13.605 ( -8.156 -4.508 -20.384) 22.413 14.317 ( -10.428 11.623 11.577) 19.439 15.971 ( -1.803 2.027 -0.019) 2.713 ======================= Grid point 150 (66/90) ======================= q-point: (-0.62 -0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 10.215 -10.215 -4.255) 15.060 1.990 ( 7.904 -7.904 -10.436) 15.292 2.324 ( -5.065 5.065 4.054) 8.230 2.564 ( 2.473 -2.473 5.642) 6.638 2.568 ( 14.818 -14.818 4.792) 21.497 2.968 ( 13.393 -13.393 7.020) 20.200 3.317 ( 10.745 -10.745 0.239) 15.197 3.402 ( 12.386 -12.386 -7.810) 19.179 4.302 ( 7.976 -7.976 -1.152) 11.338 4.594 ( 0.442 -0.442 2.249) 2.335 4.763 ( 1.130 -1.130 2.157) 2.684 4.809 ( 3.350 -3.350 -1.163) 4.879 5.025 ( 5.051 -5.051 -3.222) 7.836 5.138 ( 0.971 -0.971 -2.570) 2.914 5.248 ( -1.150 1.150 3.904) 4.229 5.492 ( -0.653 0.653 4.111) 4.214 6.231 ( -6.202 6.202 -2.988) 9.266 6.837 ( 2.827 -2.827 3.491) 5.308 6.890 ( 13.003 -13.003 -0.391) 18.393 7.040 ( 4.887 -4.887 4.159) 8.065 7.296 ( 5.953 -5.953 0.073) 8.418 7.614 ( 6.187 -6.187 -7.089) 11.262 8.178 ( -2.570 2.570 8.189) 8.959 8.874 ( -6.204 6.204 0.461) 8.786 8.916 ( -2.984 2.984 -1.070) 4.354 8.954 ( -1.921 1.921 -3.567) 4.484 9.592 ( -10.805 10.805 -0.173) 15.281 9.839 ( -7.765 7.765 -1.982) 11.159 9.985 ( 11.493 -11.493 -13.528) 21.147 10.721 ( 10.771 -10.771 13.633) 20.443 10.973 ( -1.720 1.720 4.341) 4.976 11.117 ( 1.073 -1.073 9.374) 9.496 13.003 ( 3.422 -3.422 -6.468) 8.078 13.163 ( 0.883 -0.883 -10.675) 10.748 14.375 ( -18.738 18.738 3.647) 26.749 15.972 ( -2.508 2.508 0.062) 3.547 ======================= Grid point 157 (67/90) ======================= q-point: (-0.41 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -0.000 -7.585 -10.226) 12.732 1.657 ( -0.000 -17.930 -12.812) 22.037 2.021 ( 0.000 -7.715 2.112) 7.999 2.306 ( -0.000 -7.173 -13.334) 15.141 2.713 ( 0.000 -5.341 14.985) 15.908 2.866 ( -0.000 -15.167 -11.308) 18.919 2.971 ( 0.000 -6.936 14.336) 15.926 2.971 ( -0.000 -11.981 -4.117) 12.668 4.137 ( -0.000 -7.702 0.766) 7.740 4.700 ( -0.000 -4.805 0.355) 4.818 4.737 ( 0.000 0.802 0.509) 0.950 4.815 ( -0.000 -5.700 -0.248) 5.705 4.853 ( 0.000 -3.646 5.253) 6.395 5.111 ( 0.000 -0.676 0.384) 0.778 5.427 ( -0.000 2.241 -0.801) 2.380 5.460 ( 0.000 0.821 5.716) 5.774 6.452 ( -0.000 2.768 -3.194) 4.227 6.533 ( -0.000 -12.929 1.372) 13.002 6.714 ( 0.000 4.056 5.091) 6.510 6.955 ( 0.000 5.601 -1.223) 5.733 7.157 ( 0.000 -13.222 6.230) 14.616 7.496 ( -0.000 -9.144 -3.440) 9.769 8.422 ( 0.000 -0.143 7.217) 7.218 8.769 ( -0.000 7.732 -4.394) 8.893 9.024 ( -0.000 -3.138 -4.190) 5.235 9.094 ( 0.000 6.594 3.510) 7.470 9.482 ( -0.000 -10.824 -12.618) 16.624 9.763 ( 0.000 14.644 -1.688) 14.741 10.057 ( -0.000 4.071 -3.668) 5.479 10.748 ( 0.000 -7.541 13.435) 15.407 10.920 ( 0.000 9.891 7.902) 12.660 11.495 ( 0.000 -13.395 14.182) 19.508 12.442 ( -0.000 11.148 -10.408) 15.252 13.152 ( -0.000 -12.408 -15.492) 19.848 14.859 ( 0.000 15.841 2.529) 16.041 16.034 ( 0.000 2.231 -0.075) 2.232 ======================= Grid point 158 (68/90) ======================= q-point: (-0.41 -0.19 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 10.344 -10.344 -10.451) 17.978 1.315 ( 13.269 -13.269 -11.947) 22.246 1.967 ( 16.082 -16.082 4.548) 23.193 2.236 ( 1.350 -1.350 -22.060) 22.142 2.592 ( 2.892 -2.892 -6.542) 7.716 2.783 ( 6.666 -6.666 12.963) 16.029 2.839 ( 7.659 -7.659 5.309) 12.063 2.855 ( 9.884 -9.884 1.774) 14.090 4.076 ( 1.563 -1.563 0.473) 2.260 4.630 ( -0.007 0.007 -0.131) 0.131 4.726 ( 3.180 -3.180 0.361) 4.512 4.767 ( -0.739 0.739 4.008) 4.142 4.834 ( 2.633 -2.633 5.129) 6.338 5.092 ( 0.323 -0.323 0.304) 0.549 5.410 ( -2.771 2.771 1.381) 4.155 5.522 ( 1.741 -1.741 1.899) 3.110 6.359 ( 3.476 -3.476 1.733) 5.212 6.481 ( -0.442 0.442 -2.380) 2.461 6.848 ( 1.093 -1.093 6.301) 6.487 6.931 ( 3.898 -3.898 4.453) 7.087 7.129 ( 2.334 -2.334 -0.972) 3.441 7.300 ( 6.715 -6.715 1.077) 9.558 8.413 ( -1.683 1.683 7.707) 8.066 8.911 ( -1.228 1.228 -4.538) 4.859 8.923 ( -0.643 0.643 -4.429) 4.522 9.170 ( -4.075 4.075 3.793) 6.900 9.374 ( 5.987 -5.987 -12.797) 15.344 9.997 ( -10.066 10.066 -4.546) 14.943 10.031 ( -4.151 4.151 -3.686) 6.932 10.667 ( 4.857 -4.857 13.770) 15.388 11.135 ( -0.702 0.702 7.769) 7.832 11.243 ( 3.044 -3.044 11.903) 12.657 12.724 ( 1.984 -1.984 -11.068) 11.419 12.836 ( 5.122 -5.122 -10.278) 12.574 15.041 ( -12.421 12.421 -0.556) 17.575 16.057 ( -1.508 1.508 -0.146) 2.138 ======================= Grid point 166 (69/90) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -0.000 0.000 -16.925) 16.925 0.670 ( -0.000 0.000 -16.925) 16.925 1.583 ( -0.000 0.000 -38.687) 38.687 1.692 ( 0.000 -0.000 6.159) 6.159 2.133 ( -0.000 0.000 -22.279) 22.279 2.550 ( -0.000 0.000 -4.012) 4.012 2.981 ( 0.000 -0.000 16.188) 16.188 2.981 ( 0.000 -0.000 16.188) 16.188 4.105 ( 0.000 -0.000 1.695) 1.695 4.613 ( -0.000 0.000 -2.021) 2.021 4.613 ( -0.000 0.000 -2.021) 2.021 4.930 ( 0.000 -0.000 8.300) 8.300 4.930 ( 0.000 -0.000 8.300) 8.300 5.104 ( 0.000 -0.000 1.248) 1.248 5.466 ( -0.000 0.000 -1.336) 1.336 5.466 ( -0.000 0.000 -1.336) 1.336 6.216 ( 0.000 -0.000 0.789) 0.789 6.722 ( 0.000 -0.000 4.629) 4.629 6.928 ( 0.000 -0.000 2.651) 2.651 6.928 ( 0.000 -0.000 2.651) 2.651 7.084 ( 0.000 -0.000 3.090) 3.090 7.084 ( 0.000 -0.000 3.090) 3.090 8.624 ( 0.000 -0.000 9.972) 9.972 8.845 ( -0.000 0.000 -5.033) 5.033 8.845 ( -0.000 0.000 -5.033) 5.033 9.043 ( -0.000 0.000 -9.411) 9.411 9.334 ( 0.000 -0.000 4.611) 4.611 10.040 ( -0.000 0.000 -4.466) 4.466 10.163 ( -0.000 0.000 -5.918) 5.918 10.794 ( 0.000 -0.000 10.170) 10.170 11.320 ( 0.000 -0.000 10.899) 10.899 11.320 ( 0.000 -0.000 10.899) 10.899 12.450 ( -0.000 0.000 -14.194) 14.194 12.450 ( -0.000 0.000 -14.194) 14.194 15.328 ( 0.000 -0.000 0.135) 0.135 16.084 ( -0.000 0.000 -0.269) 0.269 ======================= Grid point 170 (70/90) ======================= q-point: (-0.20 -0.20 0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 1.943 1.943 -5.028) 5.730 2.259 ( 2.864 2.864 -2.254) 4.635 2.350 ( -1.636 -1.636 2.736) 3.583 2.612 ( -1.546 -1.546 -1.732) 2.789 3.427 ( 1.783 1.783 0.340) 2.544 3.752 ( 2.164 2.164 0.632) 3.125 3.805 ( 5.391 5.391 -15.408) 17.191 4.137 ( 1.512 1.512 13.973) 14.136 4.780 ( 0.721 0.721 -5.465) 5.560 4.818 ( 0.080 0.080 0.460) 0.474 4.924 ( -0.836 -0.836 7.894) 7.982 4.960 ( 1.571 1.571 -0.584) 2.297 5.156 ( 2.063 2.063 3.969) 4.926 5.167 ( 5.313 5.313 -0.727) 7.549 5.540 ( 0.394 0.394 -3.268) 3.315 5.600 ( 0.067 0.067 -3.227) 3.228 5.631 ( -2.008 -2.008 3.255) 4.320 7.207 ( 1.411 1.411 -11.636) 11.806 7.339 ( -1.351 -1.351 0.048) 1.912 7.416 ( 2.643 2.643 11.622) 12.208 7.984 ( 7.688 7.688 0.569) 10.888 8.028 ( 7.239 7.239 -1.249) 10.313 8.170 ( -1.223 -1.223 0.800) 1.906 8.383 ( -4.508 -4.508 0.450) 6.391 8.595 ( -1.479 -1.479 -4.609) 5.062 8.686 ( -1.719 -1.719 2.836) 3.735 9.024 ( -6.145 -6.145 -0.800) 8.727 9.141 ( -3.862 -3.862 2.109) 5.855 10.743 ( 15.672 15.672 -10.885) 24.693 11.209 ( -0.506 -0.506 14.937) 14.954 11.501 ( -12.123 -12.123 -5.611) 18.040 11.736 ( -2.458 -2.458 7.811) 8.550 12.578 ( 18.304 18.304 5.020) 26.369 12.722 ( 0.832 0.832 -18.787) 18.824 13.342 ( -17.152 -17.152 6.919) 25.224 15.799 ( -1.038 -1.038 0.099) 1.471 ======================= Grid point 184 (71/90) ======================= q-point: ( 0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 9.882 0.000) 9.882 1.569 ( 0.000 17.299 0.000) 17.299 1.831 ( 0.000 2.520 0.000) 2.520 2.632 ( 0.000 5.976 0.000) 5.976 2.930 ( -0.000 -2.220 -0.000) 2.220 3.151 ( 0.000 1.622 0.000) 1.622 3.151 ( -0.000 -7.000 -0.000) 7.000 3.599 ( 0.000 7.590 0.000) 7.590 4.730 ( 0.000 5.786 0.000) 5.786 4.810 ( -0.000 -3.863 -0.000) 3.863 4.852 ( 0.000 0.944 0.000) 0.944 5.025 ( 0.000 4.630 0.000) 4.630 5.053 ( -0.000 -3.770 -0.000) 3.770 5.140 ( 0.000 2.154 0.000) 2.154 5.273 ( 0.000 2.229 0.000) 2.229 5.471 ( -0.000 -6.017 -0.000) 6.017 6.390 ( 0.000 4.396 0.000) 4.396 6.636 ( -0.000 -8.415 -0.000) 8.415 6.662 ( -0.000 -1.563 -0.000) 1.563 7.119 ( 0.000 2.704 0.000) 2.704 7.151 ( 0.000 5.303 0.000) 5.303 8.075 ( 0.000 9.791 0.000) 9.791 8.345 ( 0.000 2.797 0.000) 2.797 8.371 ( -0.000 -0.321 -0.000) 0.321 8.869 ( -0.000 -9.727 -0.000) 9.727 8.975 ( -0.000 -0.566 -0.000) 0.566 9.629 ( -0.000 -7.689 -0.000) 7.689 9.740 ( 0.000 17.917 0.000) 17.917 9.868 ( 0.000 2.160 0.000) 2.160 10.890 ( -0.000 -17.100 -0.000) 17.100 11.112 ( -0.000 -14.759 -0.000) 14.759 11.734 ( 0.000 14.243 0.000) 14.243 12.044 ( -0.000 -14.964 -0.000) 14.964 13.052 ( 0.000 27.280 0.000) 27.280 14.680 ( -0.000 -12.100 -0.000) 12.100 15.962 ( -0.000 -0.763 -0.000) 0.763 ======================= Grid point 185 (72/90) ======================= q-point: ( 0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 15.341 3.267 -0.000) 15.685 1.866 ( -0.793 13.253 0.000) 13.277 2.090 ( 15.417 3.454 -0.000) 15.799 2.571 ( -3.251 -7.029 -0.000) 7.745 2.978 ( 10.705 -5.043 -0.000) 11.833 2.999 ( 0.864 -6.973 -0.000) 7.026 3.284 ( 11.433 -1.323 -0.000) 11.509 3.727 ( 7.088 -3.633 -0.000) 7.965 4.610 ( -1.724 -9.746 -0.000) 9.897 4.771 ( -1.336 0.710 0.000) 1.513 4.888 ( -3.691 5.449 0.000) 6.581 4.939 ( -0.635 -8.736 -0.000) 8.760 5.121 ( 6.418 -2.134 -0.000) 6.763 5.176 ( 3.868 -2.689 -0.000) 4.710 5.332 ( -0.405 -6.353 -0.000) 6.366 5.345 ( -0.220 3.369 0.000) 3.376 6.232 ( -13.272 5.278 0.000) 14.283 6.592 ( 6.505 -1.811 -0.000) 6.753 6.966 ( 18.539 1.004 -0.000) 18.566 7.185 ( -0.704 2.667 0.000) 2.758 7.198 ( 8.213 -8.490 -0.000) 11.812 8.141 ( -4.893 1.148 0.000) 5.026 8.266 ( -2.066 -9.170 -0.000) 9.400 8.487 ( 2.231 8.595 0.000) 8.880 8.721 ( -3.413 0.242 0.000) 3.421 9.024 ( -3.074 8.642 0.000) 9.172 9.442 ( -3.575 -6.093 -0.000) 7.064 9.832 ( -9.406 4.645 0.000) 10.491 10.161 ( 6.020 16.256 0.000) 17.335 10.614 ( 6.201 -15.648 -0.000) 16.831 10.910 ( 9.833 -15.913 -0.000) 18.706 11.675 ( -5.923 -14.757 -0.000) 15.901 12.166 ( 10.825 16.839 0.000) 20.019 13.553 ( -8.750 29.414 0.000) 30.688 14.263 ( -10.218 -17.434 -0.000) 20.208 15.942 ( -1.885 0.757 0.000) 2.031 ======================= Grid point 186 (73/90) ======================= q-point: (-0.78 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 14.368 -3.337 -0.000) 14.750 2.068 ( -4.733 10.572 0.000) 11.583 2.327 ( -0.188 -9.984 -0.000) 9.986 2.450 ( 11.230 2.547 -0.000) 11.515 2.837 ( 4.126 -11.949 -0.000) 12.642 3.153 ( 16.333 -9.331 -0.000) 18.810 3.474 ( 11.263 -5.123 -0.000) 12.374 3.744 ( 11.278 -12.168 -0.000) 16.591 4.471 ( 6.443 -6.820 -0.000) 9.382 4.683 ( -2.089 -10.437 -0.000) 10.644 4.752 ( -0.853 0.116 0.000) 0.861 4.905 ( 2.813 -2.544 -0.000) 3.792 5.172 ( 1.968 -1.361 -0.000) 2.393 5.198 ( 5.224 -4.300 -0.000) 6.766 5.230 ( 1.557 -4.518 -0.000) 4.779 5.392 ( -1.756 3.380 0.000) 3.809 6.137 ( -8.561 6.482 0.000) 10.738 6.788 ( 9.508 2.125 -0.000) 9.743 7.138 ( -0.797 -5.710 -0.000) 5.765 7.176 ( 13.143 -13.766 -0.000) 19.032 7.348 ( 16.286 -0.798 -0.000) 16.305 7.958 ( -0.684 -14.325 -0.000) 14.342 8.019 ( -6.237 1.488 0.000) 6.412 8.713 ( -6.463 7.156 0.000) 9.643 8.758 ( 3.745 10.655 0.000) 11.294 9.031 ( -8.664 -0.396 0.000) 8.673 9.360 ( -5.171 8.520 0.000) 9.966 9.714 ( -11.844 6.512 0.000) 13.516 10.421 ( 12.565 -13.605 -0.000) 18.519 10.706 ( 8.623 13.248 0.000) 15.807 10.830 ( 13.635 -15.632 -0.000) 20.743 11.220 ( -10.668 -12.545 -0.000) 16.468 12.828 ( 18.554 17.085 -0.000) 25.222 13.602 ( -15.969 -19.607 -0.000) 25.287 13.852 ( -18.364 26.154 0.000) 31.957 15.923 ( -2.704 2.125 0.000) 3.439 ======================= Grid point 195 (74/90) ======================= q-point: (-0.57 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -0.000 -2.888 -5.072) 5.837 1.993 ( 0.000 0.209 7.600) 7.603 2.097 ( -0.000 1.734 -9.983) 10.132 2.449 ( 0.000 -7.957 6.647) 10.368 2.690 ( 0.000 -9.136 3.877) 9.924 2.920 ( 0.000 -6.600 4.773) 8.145 3.095 ( -0.000 -4.206 -0.843) 4.289 3.427 ( -0.000 -13.733 -5.893) 14.944 4.367 ( -0.000 -12.980 -0.886) 13.010 4.750 ( -0.000 -0.810 -2.198) 2.342 4.804 ( -0.000 -7.213 1.682) 7.406 4.907 ( -0.000 -7.023 1.322) 7.146 4.975 ( -0.000 -5.970 -2.506) 6.475 5.110 ( -0.000 2.925 -1.263) 3.186 5.315 ( 0.000 -1.572 7.977) 8.131 5.396 ( -0.000 2.342 -0.754) 2.460 6.479 ( -0.000 1.744 -3.078) 3.538 6.542 ( 0.000 3.195 1.180) 3.405 6.757 ( 0.000 -1.818 1.089) 2.119 6.910 ( -0.000 -6.070 0.019) 6.070 7.242 ( 0.000 -5.837 6.245) 8.548 7.857 ( -0.000 -12.862 -10.054) 16.325 8.302 ( 0.000 -3.350 9.122) 9.718 8.646 ( 0.000 10.238 -2.374) 10.510 8.874 ( 0.000 7.703 1.783) 7.907 9.184 ( -0.000 -1.315 -3.085) 3.354 9.477 ( 0.000 11.194 0.477) 11.204 9.985 ( -0.000 -13.637 -13.203) 18.982 10.017 ( -0.000 4.833 -1.899) 5.193 10.524 ( 0.000 13.263 3.619) 13.748 10.722 ( 0.000 -11.346 14.429) 18.356 11.544 ( 0.000 -13.725 9.679) 16.794 12.320 ( -0.000 14.810 -5.379) 15.757 13.690 ( -0.000 -4.751 -20.984) 21.515 14.425 ( 0.000 11.956 11.913) 16.878 15.990 ( 0.000 1.972 -0.058) 1.973 ======================= Grid point 196 (75/90) ======================= q-point: (-0.57 -0.23 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 14.620 -5.140 -6.256) 16.712 1.880 ( 2.854 -18.758 -8.522) 20.800 2.150 ( 17.867 -5.260 5.392) 19.390 2.435 ( -3.821 5.908 -2.529) 7.476 2.569 ( 4.386 -12.168 7.606) 15.005 2.739 ( 4.456 -10.470 8.332) 14.103 3.082 ( 10.515 -9.333 -0.875) 14.087 3.200 ( 7.367 -14.303 -7.498) 17.750 4.182 ( 3.663 -7.670 -1.329) 8.603 4.630 ( -3.155 -3.301 2.032) 4.998 4.738 ( 0.605 -1.361 0.581) 1.599 4.778 ( 0.609 -5.093 1.214) 5.271 4.906 ( 6.021 -6.846 -1.048) 9.177 5.120 ( 0.644 -1.622 -1.007) 2.015 5.302 ( -3.539 3.626 3.369) 6.084 5.478 ( 1.950 1.859 1.912) 3.304 6.367 ( -7.076 1.196 -1.808) 7.401 6.661 ( 9.051 -11.076 -0.855) 14.329 6.708 ( 6.716 3.134 3.304) 8.115 7.028 ( -1.110 -10.850 4.343) 11.739 7.107 ( 10.095 3.496 -0.183) 10.684 7.561 ( 0.262 -14.813 -3.921) 15.325 8.240 ( -2.693 1.016 7.584) 8.112 8.860 ( 2.280 8.006 -2.786) 8.778 8.995 ( -3.872 7.085 1.836) 8.280 9.063 ( -4.260 -4.077 -3.126) 6.674 9.751 ( -4.324 14.778 -2.248) 15.561 9.801 ( 5.828 -8.546 -12.969) 16.589 10.016 ( -8.232 3.981 -2.084) 9.378 10.547 ( 5.980 -9.212 14.198) 17.950 10.869 ( 5.491 10.880 4.649) 13.044 11.232 ( -5.709 -10.563 7.582) 14.201 12.732 ( 12.819 11.644 -5.745) 18.246 13.315 ( -6.895 -18.663 -9.269) 21.949 14.695 ( -11.491 20.329 1.998) 23.437 16.017 ( -1.694 2.368 -0.018) 2.912 ======================= Grid point 204 (76/90) ======================= q-point: (-0.36 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -0.000 -5.008 -12.926) 13.862 1.222 ( -0.000 -21.471 -11.767) 24.484 1.770 ( 0.000 -14.879 4.612) 15.577 2.228 ( -0.000 -1.333 -25.698) 25.732 2.567 ( -0.000 -5.556 -7.720) 9.512 2.686 ( 0.000 -4.240 5.024) 6.574 2.741 ( -0.000 -9.560 -0.323) 9.565 2.777 ( 0.000 -10.068 17.186) 19.918 4.067 ( 0.000 -0.111 0.888) 0.895 4.642 ( -0.000 -1.244 0.080) 1.247 4.681 ( -0.000 -4.309 -0.537) 4.343 4.781 ( 0.000 0.755 5.172) 5.226 4.803 ( 0.000 -1.366 6.381) 6.526 5.090 ( 0.000 -0.948 1.023) 1.395 5.464 ( -0.000 1.357 -0.486) 1.441 5.475 ( 0.000 0.458 1.824) 1.881 6.295 ( -0.000 -8.833 0.882) 8.877 6.532 ( 0.000 5.287 1.143) 5.409 6.796 ( 0.000 3.078 6.147) 6.874 6.929 ( 0.000 -8.418 5.291) 9.943 7.050 ( -0.000 3.377 -1.656) 3.761 7.257 ( -0.000 -13.028 1.014) 13.067 8.433 ( 0.000 0.906 8.482) 8.530 8.892 ( -0.000 4.231 -4.622) 6.266 8.961 ( -0.000 -2.339 -4.546) 5.113 9.212 ( 0.000 4.148 3.810) 5.632 9.312 ( -0.000 -5.730 -12.998) 14.205 10.046 ( -0.000 9.918 -4.133) 10.745 10.145 ( -0.000 6.225 -4.686) 7.792 10.617 ( 0.000 -4.522 13.830) 14.550 11.089 ( 0.000 5.854 7.537) 9.544 11.259 ( 0.000 -9.396 10.408) 14.022 12.619 ( -0.000 6.010 -10.578) 12.166 12.850 ( -0.000 -14.402 -10.599) 17.881 15.178 ( 0.000 13.271 -0.381) 13.276 16.074 ( 0.000 1.492 -0.234) 1.510 ======================= Grid point 231 (77/90) ======================= q-point: ( 0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.000 4.021 0.000) 4.021 1.877 ( 0.000 1.935 0.000) 1.935 1.908 ( 0.000 15.989 0.000) 15.989 2.607 ( -0.000 -7.686 -0.000) 7.686 2.835 ( -0.000 -6.732 -0.000) 6.732 3.019 ( -0.000 -6.257 -0.000) 6.257 3.153 ( -0.000 -1.103 -0.000) 1.103 3.651 ( -0.000 -2.991 -0.000) 2.991 4.638 ( -0.000 -11.592 -0.000) 11.592 4.792 ( 0.000 0.074 0.000) 0.074 4.941 ( -0.000 -7.133 -0.000) 7.133 4.956 ( 0.000 8.651 0.000) 8.651 5.022 ( -0.000 -4.020 -0.000) 4.020 5.133 ( -0.000 -3.348 -0.000) 3.348 5.337 ( -0.000 -6.880 -0.000) 6.880 5.345 ( 0.000 3.575 0.000) 3.575 6.463 ( 0.000 2.879 0.000) 2.879 6.523 ( -0.000 -2.335 -0.000) 2.335 6.683 ( 0.000 3.501 0.000) 3.501 7.110 ( -0.000 -8.440 -0.000) 8.440 7.194 ( 0.000 3.063 0.000) 3.063 8.192 ( 0.000 0.885 0.000) 0.885 8.288 ( -0.000 -9.407 -0.000) 9.407 8.463 ( 0.000 8.600 0.000) 8.600 8.757 ( 0.000 0.295 0.000) 0.295 9.055 ( 0.000 9.086 0.000) 9.086 9.479 ( -0.000 -6.437 -0.000) 6.437 9.937 ( 0.000 4.363 0.000) 4.363 10.098 ( 0.000 15.846 0.000) 15.846 10.550 ( -0.000 -14.926 -0.000) 14.926 10.802 ( -0.000 -14.945 -0.000) 14.945 11.737 ( -0.000 -14.765 -0.000) 14.765 12.050 ( 0.000 16.092 0.000) 16.092 13.643 ( 0.000 30.059 0.000) 30.059 14.369 ( -0.000 -18.236 -0.000) 18.236 15.962 ( 0.000 0.767 0.000) 0.767 ======================= Grid point 232 (78/90) ======================= q-point: (-0.72 -0.28 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 14.345 -1.956 -0.000) 14.478 2.061 ( 10.102 4.719 -0.000) 11.150 2.220 ( 2.646 10.355 0.000) 10.688 2.338 ( -0.709 -15.363 -0.000) 15.379 2.793 ( 8.925 -12.517 -0.000) 15.373 2.864 ( 3.055 -7.654 -0.000) 8.241 3.229 ( 10.924 -4.435 -0.000) 11.789 3.557 ( 6.778 -12.424 -0.000) 14.153 4.392 ( 1.740 -10.903 -0.000) 11.041 4.742 ( -3.242 -9.012 -0.000) 9.577 4.763 ( -0.655 -1.140 -0.000) 1.315 4.892 ( -0.346 -5.437 -0.000) 5.448 5.079 ( 5.539 -6.688 -0.000) 8.684 5.143 ( 0.682 5.086 0.000) 5.132 5.214 ( 0.419 -4.956 -0.000) 4.973 5.407 ( 0.089 2.870 0.000) 2.871 6.336 ( -10.798 4.242 0.000) 11.601 6.607 ( 7.034 2.700 -0.000) 7.535 6.932 ( 11.246 -11.904 -0.000) 16.376 7.035 ( 12.524 1.496 -0.000) 12.613 7.166 ( -1.365 -5.455 -0.000) 5.623 7.981 ( -1.072 -17.427 -0.000) 17.460 8.128 ( -3.981 -0.215 0.000) 3.987 8.694 ( 2.350 10.521 0.000) 10.780 8.819 ( -3.687 7.552 0.000) 8.404 9.167 ( -4.583 -0.015 0.000) 4.583 9.444 ( -2.912 10.670 0.000) 11.060 9.935 ( -8.881 5.172 0.000) 10.278 10.221 ( 6.840 -12.192 -0.000) 13.980 10.566 ( 4.804 12.812 0.000) 13.683 10.606 ( 8.002 -13.482 -0.000) 15.678 11.392 ( -5.886 -12.797 -0.000) 14.086 12.502 ( 12.230 15.627 0.000) 19.844 13.858 ( -8.756 -21.779 -0.000) 23.474 14.147 ( -10.140 28.183 0.000) 29.952 15.971 ( -1.835 1.994 0.000) 2.710 ======================= Grid point 234 (79/90) ======================= q-point: ( 0.28 0.72 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 9.549 -9.549 -0.000) 13.504 2.104 ( 10.305 -10.305 -0.000) 14.574 2.267 ( -8.193 8.193 0.000) 11.586 2.503 ( 1.642 -1.642 -0.000) 2.323 2.517 ( 14.410 -14.410 -0.000) 20.379 2.903 ( 14.537 -14.537 -0.000) 20.558 3.315 ( 10.346 -10.346 -0.000) 14.632 3.478 ( 12.349 -12.349 -0.000) 17.464 4.315 ( 7.705 -7.705 -0.000) 10.896 4.571 ( 0.697 -0.697 -0.000) 0.985 4.742 ( 1.023 -1.023 -0.000) 1.446 4.820 ( 3.701 -3.701 -0.000) 5.234 5.072 ( 7.308 -7.308 -0.000) 10.336 5.166 ( 2.221 -2.221 -0.000) 3.140 5.197 ( -2.766 2.766 0.000) 3.911 5.450 ( -1.916 1.916 0.000) 2.710 6.260 ( -5.858 5.858 0.000) 8.284 6.805 ( 2.751 -2.751 -0.000) 3.890 6.896 ( 12.904 -12.904 -0.000) 18.249 6.997 ( 4.819 -4.819 -0.000) 6.816 7.296 ( 5.814 -5.814 -0.000) 8.222 7.696 ( 9.369 -9.369 -0.000) 13.249 8.083 ( -4.150 4.150 0.000) 5.869 8.864 ( -6.873 6.873 0.000) 9.720 8.932 ( -2.288 2.288 0.000) 3.236 8.989 ( -1.899 1.899 0.000) 2.685 9.596 ( -11.693 11.693 0.000) 16.537 9.858 ( -7.798 7.798 0.000) 11.029 10.154 ( 11.381 -11.381 -0.000) 16.095 10.551 ( 11.429 -11.429 -0.000) 16.163 10.933 ( -1.832 1.832 0.000) 2.590 11.028 ( 0.139 -0.139 -0.000) 0.197 13.063 ( 3.567 -3.567 -0.000) 5.045 13.267 ( 3.080 -3.080 -0.000) 4.356 14.337 ( -20.792 20.792 0.000) 29.404 15.972 ( -2.529 2.529 0.000) 3.577 ======================= Grid point 243 (80/90) ======================= q-point: (-0.51 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -0.000 -5.300 -7.293) 9.016 1.853 ( -0.000 -20.952 -8.113) 22.468 1.945 ( 0.000 -6.538 5.191) 8.348 2.476 ( -0.000 6.528 -4.802) 8.104 2.480 ( 0.000 -9.980 9.078) 13.491 2.736 ( 0.000 -11.436 9.734) 15.017 2.961 ( -0.000 -8.783 -1.679) 8.942 3.118 ( -0.000 -14.686 -8.032) 16.739 4.146 ( -0.000 -7.614 -1.254) 7.716 4.683 ( 0.000 -4.397 1.353) 4.601 4.730 ( -0.000 -1.110 0.005) 1.110 4.777 ( 0.000 -5.019 2.702) 5.700 4.822 ( -0.000 -7.996 -0.393) 8.006 5.114 ( -0.000 -1.868 -0.528) 1.942 5.357 ( 0.000 4.482 4.958) 6.684 5.440 ( -0.000 1.977 -0.592) 2.064 6.504 ( -0.000 0.709 -2.397) 2.500 6.515 ( -0.000 -12.801 0.537) 12.812 6.633 ( 0.000 3.230 3.335) 4.643 6.978 ( 0.000 6.036 -1.074) 6.131 7.048 ( 0.000 -11.542 4.910) 12.543 7.562 ( -0.000 -15.877 -3.269) 16.210 8.270 ( 0.000 0.459 7.593) 7.607 8.836 ( -0.000 7.985 -2.693) 8.427 9.035 ( 0.000 7.216 1.817) 7.441 9.107 ( -0.000 -4.211 -3.126) 5.245 9.733 ( -0.000 -10.444 -13.917) 17.399 9.800 ( 0.000 17.688 -1.804) 17.780 10.112 ( -0.000 4.455 -2.202) 4.969 10.484 ( 0.000 -8.604 14.490) 16.852 10.810 ( 0.000 10.889 3.985) 11.595 11.292 ( 0.000 -10.763 7.629) 13.192 12.590 ( -0.000 11.308 -5.533) 12.589 13.387 ( -0.000 -19.637 -9.319) 21.736 14.815 ( 0.000 21.066 1.959) 21.157 16.035 ( 0.000 2.320 -0.067) 2.321 ======================= Grid point 244 (81/90) ======================= q-point: (-0.51 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 8.549 -8.549 -7.266) 14.105 1.504 ( 13.125 -13.125 -8.015) 20.218 1.892 ( 16.174 -16.174 3.398) 23.125 2.436 ( 3.241 -3.241 10.137) 11.125 2.521 ( 7.838 -7.838 11.497) 15.971 2.555 ( -4.682 4.682 -9.905) 11.914 2.876 ( 9.366 -9.366 -1.213) 13.301 2.965 ( 8.224 -8.224 -8.854) 14.617 4.083 ( 2.322 -2.322 -0.923) 3.411 4.603 ( -0.400 0.400 2.378) 2.444 4.706 ( 1.501 -1.501 1.422) 2.555 4.719 ( 1.206 -1.206 1.290) 2.138 4.772 ( 5.710 -5.710 1.702) 8.252 5.088 ( 1.179 -1.179 0.186) 1.678 5.385 ( -4.036 4.036 1.259) 5.845 5.497 ( 0.271 -0.271 0.730) 0.824 6.335 ( 3.994 -3.994 0.780) 5.702 6.516 ( 1.979 -1.979 -1.652) 3.250 6.753 ( 1.297 -1.297 3.705) 4.134 6.843 ( 4.334 -4.334 4.543) 7.629 7.148 ( 1.718 -1.718 -0.915) 2.596 7.297 ( 7.811 -7.811 -0.361) 11.053 8.276 ( -1.777 1.777 6.000) 6.505 8.980 ( -1.266 1.266 -2.718) 3.255 8.997 ( -0.487 0.487 -3.086) 3.162 9.114 ( -4.061 4.061 2.129) 6.125 9.628 ( 5.694 -5.694 -14.010) 16.160 10.070 ( -10.994 10.994 -2.921) 15.820 10.085 ( -4.148 4.148 -2.033) 6.209 10.400 ( 4.965 -4.965 14.449) 16.065 11.027 ( -0.874 0.874 3.962) 4.150 11.075 ( 1.084 -1.084 6.225) 6.411 12.882 ( 2.273 -2.273 -5.901) 6.719 12.991 ( 5.989 -5.989 -6.045) 10.406 15.046 ( -12.791 12.791 -0.041) 18.090 16.060 ( -1.628 1.628 -0.116) 2.305 ======================= Grid point 252 (82/90) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.000 0.000 -14.035) 14.035 0.958 ( -0.000 0.000 -14.035) 14.035 1.581 ( 0.000 -0.000 5.516) 5.516 2.221 ( -0.000 0.000 -29.849) 29.849 2.519 ( -0.000 0.000 -18.598) 18.598 2.619 ( -0.000 0.000 -3.259) 3.259 2.656 ( 0.000 -0.000 18.123) 18.123 2.656 ( 0.000 -0.000 18.123) 18.123 4.076 ( 0.000 -0.000 1.304) 1.304 4.632 ( 0.000 -0.000 0.107) 0.107 4.632 ( 0.000 -0.000 0.107) 0.107 4.790 ( 0.000 -0.000 6.634) 6.634 4.790 ( 0.000 -0.000 6.634) 6.634 5.081 ( 0.000 -0.000 1.254) 1.254 5.479 ( -0.000 0.000 -0.415) 0.415 5.479 ( -0.000 0.000 -0.415) 0.415 6.202 ( 0.000 -0.000 0.721) 0.721 6.623 ( 0.000 -0.000 5.821) 5.821 6.828 ( 0.000 -0.000 6.491) 6.491 6.828 ( 0.000 -0.000 6.491) 6.491 7.085 ( -0.000 0.000 -1.831) 1.831 7.085 ( -0.000 0.000 -1.831) 1.831 8.445 ( 0.000 -0.000 8.934) 8.934 8.936 ( -0.000 0.000 -4.619) 4.619 8.936 ( -0.000 0.000 -4.619) 4.619 9.253 ( -0.000 0.000 -13.182) 13.182 9.255 ( 0.000 -0.000 3.820) 3.820 10.117 ( -0.000 0.000 -3.670) 3.670 10.265 ( -0.000 0.000 -4.879) 4.879 10.571 ( 0.000 -0.000 13.851) 13.851 11.150 ( 0.000 -0.000 7.517) 7.517 11.150 ( 0.000 -0.000 7.517) 7.517 12.681 ( -0.000 0.000 -10.638) 10.638 12.681 ( -0.000 0.000 -10.638) 10.638 15.325 ( 0.000 -0.000 0.164) 0.164 16.090 ( -0.000 0.000 -0.320) 0.320 ======================= Grid point 279 (83/90) ======================= q-point: (-0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -0.000 -1.598 -0.000) 1.598 1.907 ( 0.000 0.843 0.000) 0.843 2.223 ( 0.000 14.883 0.000) 14.883 2.347 ( -0.000 -17.150 -0.000) 17.150 2.655 ( -0.000 -11.058 -0.000) 11.058 2.874 ( -0.000 -8.667 -0.000) 8.667 3.104 ( -0.000 -4.028 -0.000) 4.028 3.484 ( -0.000 -12.605 -0.000) 12.605 4.378 ( -0.000 -12.762 -0.000) 12.762 4.773 ( -0.000 -1.637 -0.000) 1.637 4.786 ( -0.000 -7.268 -0.000) 7.268 4.896 ( -0.000 -7.536 -0.000) 7.536 5.010 ( -0.000 -8.168 -0.000) 8.168 5.139 ( 0.000 8.715 0.000) 8.715 5.210 ( -0.000 -5.296 -0.000) 5.296 5.403 ( 0.000 2.290 0.000) 2.290 6.510 ( 0.000 1.709 0.000) 1.709 6.532 ( 0.000 2.566 0.000) 2.566 6.745 ( -0.000 -3.128 -0.000) 3.128 6.911 ( -0.000 -4.546 -0.000) 4.546 7.181 ( -0.000 -5.216 -0.000) 5.216 7.993 ( -0.000 -18.173 -0.000) 18.173 8.170 ( -0.000 -0.772 -0.000) 0.772 8.669 ( 0.000 10.473 0.000) 10.473 8.858 ( 0.000 7.711 0.000) 7.711 9.214 ( 0.000 0.109 0.000) 0.109 9.474 ( 0.000 11.200 0.000) 11.200 10.035 ( 0.000 4.999 0.000) 4.999 10.150 ( -0.000 -11.643 -0.000) 11.643 10.516 ( 0.000 12.522 0.000) 12.522 10.520 ( -0.000 -12.463 -0.000) 12.463 11.453 ( -0.000 -12.827 -0.000) 12.827 12.370 ( 0.000 14.895 0.000) 14.895 13.948 ( -0.000 -22.551 -0.000) 22.551 14.252 ( 0.000 28.963 0.000) 28.963 15.991 ( 0.000 1.943 0.000) 1.943 ======================= Grid point 281 (84/90) ======================= q-point: (-0.67 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 13.637 -4.578 -0.000) 14.385 1.965 ( 3.495 -20.323 -0.000) 20.621 2.087 ( 17.656 -3.162 -0.000) 17.937 2.435 ( -4.313 4.213 0.000) 6.029 2.511 ( 4.487 -7.825 -0.000) 9.021 2.659 ( 4.668 -12.215 -0.000) 13.076 3.090 ( 10.057 -9.143 -0.000) 13.592 3.275 ( 7.303 -13.577 -0.000) 15.416 4.197 ( 3.654 -7.545 -0.000) 8.384 4.609 ( -3.480 -3.910 -0.000) 5.235 4.728 ( 0.046 -2.180 -0.000) 2.180 4.771 ( 1.528 -4.807 -0.000) 5.044 4.921 ( 7.044 -8.316 -0.000) 10.898 5.133 ( 1.048 -3.075 -0.000) 3.249 5.262 ( -3.254 5.836 0.000) 6.681 5.462 ( 0.665 2.322 0.000) 2.416 6.385 ( -6.453 0.048 0.000) 6.453 6.671 ( 8.906 -10.950 -0.000) 14.114 6.676 ( 6.758 3.501 -0.000) 7.611 6.983 ( -1.201 -10.956 -0.000) 11.022 7.110 ( 10.056 4.072 -0.000) 10.849 7.603 ( 1.150 -18.357 -0.000) 18.393 8.160 ( -2.948 2.856 0.000) 4.105 8.887 ( 2.396 8.062 0.000) 8.411 8.977 ( -3.937 7.155 0.000) 8.167 9.094 ( -4.225 -4.471 -0.000) 6.152 9.769 ( -5.062 17.771 0.000) 18.478 9.973 ( 6.111 -10.655 -0.000) 12.283 10.033 ( -8.373 4.267 0.000) 9.398 10.370 ( 6.246 -9.519 -0.000) 11.385 10.826 ( 5.000 11.119 0.000) 12.191 11.161 ( -5.756 -9.643 -0.000) 11.231 12.786 ( 13.119 11.751 -0.000) 17.612 13.403 ( -6.873 -21.789 -0.000) 22.848 14.674 ( -11.666 22.761 0.000) 25.577 16.017 ( -1.735 2.399 0.000) 2.961 ======================= Grid point 292 (85/90) ======================= q-point: (-0.46 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -0.000 -3.783 -8.562) 9.361 1.407 ( -0.000 -19.943 -7.784) 21.408 1.694 ( -0.000 -15.445 3.369) 15.808 2.362 ( 0.000 -1.671 12.270) 12.383 2.480 ( 0.000 -10.593 10.573) 14.967 2.607 ( -0.000 4.147 -11.720) 12.432 2.768 ( -0.000 -8.803 -1.683) 8.962 2.877 ( -0.000 -8.352 -9.550) 12.687 4.064 ( -0.000 -1.101 -0.392) 1.168 4.625 ( 0.000 -1.514 1.538) 2.158 4.674 ( -0.000 -5.667 1.074) 5.768 4.709 ( 0.000 -1.053 2.396) 2.617 4.711 ( 0.000 -1.610 3.238) 3.616 5.076 ( 0.000 -1.412 0.537) 1.511 5.447 ( 0.000 3.678 1.152) 3.854 5.474 ( -0.000 1.294 -0.536) 1.401 6.282 ( -0.000 -8.605 0.498) 8.619 6.513 ( 0.000 0.402 0.647) 0.762 6.700 ( 0.000 2.528 3.808) 4.571 6.831 ( 0.000 -8.771 4.717) 9.959 7.081 ( -0.000 3.666 -1.399) 3.923 7.255 ( -0.000 -12.451 -0.433) 12.458 8.295 ( 0.000 1.427 5.646) 5.823 8.962 ( -0.000 4.241 -2.748) 5.054 9.033 ( -0.000 -2.560 -2.886) 3.858 9.156 ( 0.000 4.121 2.117) 4.632 9.569 ( -0.000 -5.496 -14.141) 15.171 10.106 ( 0.000 8.873 -2.270) 9.159 10.217 ( -0.000 7.541 -2.827) 8.054 10.348 ( 0.000 -4.552 14.605) 15.298 10.984 ( 0.000 5.892 3.844) 7.035 11.114 ( 0.000 -6.417 5.294) 8.319 12.770 ( -0.000 6.098 -5.633) 8.301 13.007 ( -0.000 -15.562 -5.989) 16.675 15.181 ( 0.000 13.379 -0.018) 13.379 16.077 ( 0.000 1.614 -0.171) 1.623 ======================= Grid point 328 (86/90) ======================= q-point: (-0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -0.000 -4.475 -0.000) 4.475 1.883 ( -0.000 -4.786 -0.000) 4.786 1.933 ( -0.000 -22.540 -0.000) 22.540 2.397 ( -0.000 -12.634 -0.000) 12.634 2.507 ( 0.000 12.351 0.000) 12.351 2.648 ( -0.000 -13.123 -0.000) 13.123 2.975 ( -0.000 -8.610 -0.000) 8.610 3.196 ( -0.000 -13.858 -0.000) 13.858 4.161 ( -0.000 -7.702 -0.000) 7.702 4.666 ( -0.000 -4.334 -0.000) 4.334 4.732 ( -0.000 -2.239 -0.000) 2.239 4.754 ( -0.000 -5.538 -0.000) 5.538 4.827 ( -0.000 -9.193 -0.000) 9.193 5.122 ( -0.000 -3.366 -0.000) 3.366 5.304 ( 0.000 7.406 0.000) 7.406 5.446 ( 0.000 1.937 0.000) 1.937 6.511 ( -0.000 -13.514 -0.000) 13.514 6.529 ( 0.000 0.065 0.000) 0.065 6.601 ( 0.000 3.656 0.000) 3.656 6.989 ( 0.000 6.210 0.000) 6.210 6.998 ( -0.000 -11.262 -0.000) 11.262 7.597 ( -0.000 -19.347 -0.000) 19.347 8.192 ( 0.000 2.413 0.000) 2.413 8.862 ( 0.000 8.048 0.000) 8.048 9.018 ( 0.000 7.254 0.000) 7.254 9.138 ( -0.000 -4.637 -0.000) 4.637 9.818 ( 0.000 18.569 0.000) 18.569 9.910 ( -0.000 -10.373 -0.000) 10.373 10.133 ( 0.000 4.586 0.000) 4.586 10.302 ( -0.000 -8.735 -0.000) 8.735 10.773 ( 0.000 11.084 0.000) 11.084 11.221 ( -0.000 -9.714 -0.000) 9.714 12.642 ( 0.000 11.367 0.000) 11.367 13.476 ( -0.000 -22.884 -0.000) 22.884 14.796 ( 0.000 23.539 0.000) 23.539 16.036 ( 0.000 2.356 0.000) 2.356 ======================= Grid point 330 (87/90) ======================= q-point: ( 0.39 0.61 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 7.837 -7.837 -0.000) 11.083 1.584 ( 13.114 -13.114 -0.000) 18.546 1.856 ( 15.991 -15.991 -0.000) 22.615 2.323 ( 3.722 -3.722 -0.000) 5.264 2.409 ( 8.714 -8.714 -0.000) 12.323 2.652 ( -6.868 6.868 0.000) 9.712 2.888 ( 9.136 -9.136 -0.000) 12.920 3.051 ( 7.838 -7.838 -0.000) 11.084 4.095 ( 2.713 -2.713 -0.000) 3.836 4.576 ( -0.464 0.464 0.000) 0.656 4.691 ( 0.998 -0.998 -0.000) 1.411 4.709 ( 1.816 -1.816 -0.000) 2.568 4.759 ( 7.130 -7.130 -0.000) 10.083 5.086 ( 1.503 -1.503 -0.000) 2.126 5.371 ( -4.735 4.735 0.000) 6.696 5.491 ( -0.306 0.306 0.000) 0.433 6.328 ( 4.306 -4.306 -0.000) 6.089 6.535 ( 2.909 -2.909 -0.000) 4.114 6.718 ( 1.437 -1.437 -0.000) 2.033 6.794 ( 4.532 -4.532 -0.000) 6.409 7.157 ( 1.465 -1.465 -0.000) 2.071 7.302 ( 8.182 -8.182 -0.000) 11.571 8.217 ( -2.267 2.267 0.000) 3.206 9.006 ( -1.250 1.250 0.000) 1.768 9.027 ( -0.325 0.325 0.000) 0.460 9.094 ( -4.084 4.084 0.000) 5.775 9.805 ( 5.673 -5.673 -0.000) 8.023 10.094 ( -10.857 10.857 0.000) 15.354 10.104 ( -4.146 4.146 0.000) 5.863 10.224 ( 4.610 -4.610 -0.000) 6.520 10.990 ( -0.933 0.933 0.000) 1.319 11.017 ( 0.326 -0.326 -0.000) 0.461 12.937 ( 2.374 -2.374 -0.000) 3.357 13.048 ( 6.387 -6.387 -0.000) 9.032 15.046 ( -12.947 12.947 0.000) 18.310 16.061 ( -1.675 1.675 0.000) 2.369 ======================= Grid point 342 (88/90) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -0.000 0.000 -8.831) 8.831 1.174 ( -0.000 0.000 -8.831) 8.831 1.499 ( 0.000 -0.000 3.229) 3.229 2.356 ( 0.000 -0.000 13.115) 13.115 2.356 ( 0.000 -0.000 13.115) 13.115 2.654 ( -0.000 0.000 -16.452) 16.452 2.666 ( -0.000 0.000 -1.771) 1.771 2.790 ( -0.000 0.000 -10.236) 10.236 4.061 ( 0.000 -0.000 0.318) 0.318 4.611 ( 0.000 -0.000 1.892) 1.892 4.611 ( 0.000 -0.000 1.892) 1.892 4.698 ( 0.000 -0.000 3.135) 3.135 4.698 ( 0.000 -0.000 3.135) 3.135 5.061 ( 0.000 -0.000 0.778) 0.778 5.488 ( -0.000 0.000 -0.558) 0.558 5.488 ( -0.000 0.000 -0.558) 0.558 6.191 ( 0.000 -0.000 0.409) 0.409 6.523 ( 0.000 -0.000 4.465) 4.465 6.727 ( 0.000 -0.000 4.043) 4.043 6.727 ( 0.000 -0.000 4.043) 4.043 7.120 ( -0.000 0.000 -1.523) 1.523 7.120 ( -0.000 0.000 -1.523) 1.523 8.312 ( 0.000 -0.000 5.142) 5.142 9.006 ( -0.000 0.000 -2.727) 2.727 9.006 ( -0.000 0.000 -2.727) 2.727 9.199 ( 0.000 -0.000 2.116) 2.116 9.513 ( -0.000 0.000 -14.225) 14.225 10.170 ( -0.000 0.000 -2.020) 2.020 10.301 ( 0.000 -0.000 14.587) 14.587 10.336 ( -0.000 0.000 -2.667) 2.667 11.045 ( 0.000 -0.000 3.832) 3.832 11.045 ( 0.000 -0.000 3.832) 3.832 12.833 ( -0.000 0.000 -5.669) 5.669 12.833 ( -0.000 0.000 -5.669) 5.669 15.323 ( 0.000 -0.000 0.116) 0.116 16.095 ( -0.000 0.000 -0.224) 0.224 ======================= Grid point 380 (89/90) ======================= q-point: (-0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -0.000 -3.535 -0.000) 3.535 1.484 ( -0.000 -19.350 -0.000) 19.350 1.659 ( -0.000 -14.927 -0.000) 14.927 2.240 ( -0.000 -2.557 -0.000) 2.557 2.363 ( -0.000 -12.155 -0.000) 12.155 2.726 ( 0.000 7.733 0.000) 7.733 2.783 ( -0.000 -8.757 -0.000) 8.757 2.968 ( -0.000 -7.914 -0.000) 7.914 4.070 ( -0.000 -1.717 -0.000) 1.717 4.605 ( -0.000 -1.806 -0.000) 1.806 4.660 ( -0.000 -6.526 -0.000) 6.526 4.683 ( -0.000 -1.566 -0.000) 1.566 4.690 ( -0.000 -1.687 -0.000) 1.687 5.071 ( -0.000 -1.664 -0.000) 1.664 5.436 ( 0.000 5.195 0.000) 5.195 5.480 ( 0.000 1.312 0.000) 1.312 6.278 ( -0.000 -8.526 -0.000) 8.526 6.508 ( -0.000 -1.953 -0.000) 1.953 6.664 ( 0.000 2.315 0.000) 2.315 6.782 ( -0.000 -8.594 -0.000) 8.594 7.095 ( 0.000 3.777 0.000) 3.777 7.261 ( -0.000 -12.192 -0.000) 12.192 8.242 ( 0.000 2.021 0.000) 2.021 8.988 ( 0.000 4.232 0.000) 4.232 9.060 ( -0.000 -2.732 -0.000) 2.732 9.136 ( 0.000 4.133 0.000) 4.133 9.746 ( -0.000 -5.499 -0.000) 5.499 10.127 ( 0.000 8.434 0.000) 8.434 10.167 ( -0.000 -4.466 -0.000) 4.466 10.244 ( 0.000 7.887 0.000) 7.887 10.949 ( 0.000 5.906 0.000) 5.906 11.065 ( -0.000 -5.359 -0.000) 5.359 12.822 ( 0.000 6.130 0.000) 6.130 13.063 ( -0.000 -16.092 -0.000) 16.092 15.181 ( 0.000 13.464 0.000) 13.464 16.079 ( 0.000 1.660 0.000) 1.660 ======================= Grid point 431 (90/90) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -0.000 0.000 -0.000) 0.000 1.260 ( -0.000 0.000 -0.000) 0.000 1.468 ( -0.000 0.000 -0.000) 0.000 2.225 ( -0.000 0.000 -0.000) 0.000 2.225 ( -0.000 0.000 -0.000) 0.000 2.683 ( -0.000 0.000 -0.000) 0.000 2.808 ( -0.000 0.000 -0.000) 0.000 2.885 ( -0.000 0.000 -0.000) 0.000 4.060 ( -0.000 0.000 -0.000) 0.000 4.588 ( -0.000 0.000 -0.000) 0.000 4.588 ( -0.000 0.000 -0.000) 0.000 4.671 ( -0.000 0.000 -0.000) 0.000 4.671 ( -0.000 0.000 -0.000) 0.000 5.054 ( -0.000 0.000 -0.000) 0.000 5.494 ( -0.000 0.000 -0.000) 0.000 5.494 ( -0.000 0.000 -0.000) 0.000 6.187 ( -0.000 0.000 -0.000) 0.000 6.479 ( -0.000 0.000 -0.000) 0.000 6.689 ( -0.000 0.000 -0.000) 0.000 6.689 ( -0.000 0.000 -0.000) 0.000 7.134 ( -0.000 0.000 -0.000) 0.000 7.134 ( -0.000 0.000 -0.000) 0.000 8.263 ( -0.000 0.000 -0.000) 0.000 9.032 ( -0.000 0.000 -0.000) 0.000 9.032 ( -0.000 0.000 -0.000) 0.000 9.179 ( -0.000 0.000 -0.000) 0.000 9.690 ( 0.000 -0.000 0.000) 0.000 10.121 ( -0.000 0.000 -0.000) 0.000 10.189 ( -0.000 0.000 -0.000) 0.000 10.361 ( -0.000 0.000 -0.000) 0.000 11.009 ( -0.000 0.000 -0.000) 0.000 11.009 ( -0.000 0.000 -0.000) 0.000 12.886 ( -0.000 0.000 -0.000) 0.000 12.886 ( -0.000 0.000 -0.000) 0.000 15.322 ( -0.000 0.000 -0.000) 0.000 16.097 ( -0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29160 10.0 886.781 886.781 954.671 -0.000 0.000 0.000 3/29160 20.0 132.118 132.118 122.273 -0.000 0.000 0.000 3/29160 30.0 46.116 46.116 42.907 -0.000 0.000 0.000 3/29160 40.0 22.830 22.830 21.055 -0.000 0.000 0.000 3/29160 50.0 13.910 13.910 12.608 0.000 0.000 0.000 3/29160 60.0 9.655 9.655 8.600 0.000 0.000 0.000 3/29160 70.0 7.302 7.302 6.404 0.000 0.000 0.000 3/29160 80.0 5.859 5.859 5.071 0.000 0.000 0.000 3/29160 90.0 4.906 4.906 4.197 0.000 0.000 0.000 3/29160 100.0 4.239 4.239 3.591 0.000 0.000 0.000 3/29160 110.0 3.751 3.751 3.149 0.000 0.000 0.000 3/29160 120.0 3.379 3.379 2.815 0.000 0.000 0.000 3/29160 130.0 3.086 3.086 2.554 0.000 0.000 0.000 3/29160 140.0 2.849 2.849 2.344 0.000 0.000 0.000 3/29160 150.0 2.653 2.653 2.171 0.000 0.000 0.000 3/29160 160.0 2.487 2.487 2.026 0.000 0.000 0.000 3/29160 170.0 2.345 2.345 1.902 0.000 0.000 0.000 3/29160 180.0 2.220 2.220 1.794 0.000 0.000 0.000 3/29160 190.0 2.111 2.111 1.700 0.000 0.000 0.000 3/29160 200.0 2.012 2.012 1.616 0.000 0.000 0.000 3/29160 210.0 1.924 1.924 1.541 0.000 0.000 0.000 3/29160 220.0 1.844 1.844 1.473 0.000 0.000 0.000 3/29160 230.0 1.770 1.770 1.411 0.000 0.000 0.000 3/29160 240.0 1.703 1.703 1.355 0.000 0.000 0.000 3/29160 250.0 1.641 1.641 1.303 0.000 0.000 0.000 3/29160 260.0 1.583 1.583 1.255 0.000 0.000 0.000 3/29160 270.0 1.529 1.529 1.211 0.000 0.000 0.000 3/29160 280.0 1.479 1.479 1.170 0.000 0.000 0.000 3/29160 290.0 1.433 1.433 1.131 0.000 0.000 0.000 3/29160 300.0 1.389 1.389 1.096 0.000 0.000 0.000 3/29160 310.0 1.347 1.347 1.062 0.000 0.000 0.000 3/29160 320.0 1.309 1.309 1.030 0.000 0.000 0.000 3/29160 330.0 1.272 1.272 1.000 0.000 0.000 0.000 3/29160 340.0 1.237 1.237 0.972 0.000 0.000 0.000 3/29160 350.0 1.204 1.204 0.946 0.000 0.000 0.000 3/29160 360.0 1.173 1.173 0.921 0.000 0.000 0.000 3/29160 370.0 1.143 1.143 0.897 0.000 0.000 0.000 3/29160 380.0 1.115 1.115 0.874 0.000 0.000 0.000 3/29160 390.0 1.088 1.088 0.853 0.000 0.000 0.000 3/29160 400.0 1.063 1.063 0.832 0.000 0.000 0.000 3/29160 410.0 1.038 1.038 0.813 0.000 0.000 0.000 3/29160 420.0 1.015 1.015 0.794 0.000 0.000 0.000 3/29160 430.0 0.993 0.993 0.776 0.000 0.000 0.000 3/29160 440.0 0.971 0.971 0.759 0.000 0.000 0.000 3/29160 450.0 0.951 0.951 0.743 0.000 0.000 0.000 3/29160 460.0 0.931 0.931 0.727 0.000 0.000 0.000 3/29160 470.0 0.912 0.912 0.712 0.000 0.000 0.000 3/29160 480.0 0.894 0.894 0.698 0.000 0.000 0.000 3/29160 490.0 0.877 0.877 0.684 0.000 0.000 0.000 3/29160 500.0 0.860 0.860 0.671 0.000 0.000 0.000 3/29160 510.0 0.844 0.844 0.658 0.000 0.000 0.000 3/29160 520.0 0.828 0.828 0.646 0.000 0.000 0.000 3/29160 530.0 0.813 0.813 0.634 0.000 0.000 0.000 3/29160 540.0 0.799 0.799 0.622 0.000 0.000 0.000 3/29160 550.0 0.785 0.785 0.611 0.000 0.000 0.000 3/29160 560.0 0.771 0.771 0.601 0.000 0.000 0.000 3/29160 570.0 0.758 0.758 0.590 0.000 0.000 0.000 3/29160 580.0 0.745 0.745 0.580 0.000 0.000 0.000 3/29160 590.0 0.733 0.733 0.571 0.000 0.000 0.000 3/29160 600.0 0.721 0.721 0.561 0.000 0.000 0.000 3/29160 610.0 0.710 0.710 0.552 0.000 0.000 0.000 3/29160 620.0 0.699 0.699 0.544 0.000 0.000 0.000 3/29160 630.0 0.688 0.688 0.535 0.000 0.000 0.000 3/29160 640.0 0.677 0.677 0.527 0.000 0.000 0.000 3/29160 650.0 0.667 0.667 0.519 0.000 0.000 0.000 3/29160 660.0 0.657 0.657 0.511 0.000 0.000 0.000 3/29160 670.0 0.648 0.648 0.504 0.000 0.000 0.000 3/29160 680.0 0.639 0.639 0.496 0.000 0.000 0.000 3/29160 690.0 0.630 0.630 0.489 0.000 0.000 0.000 3/29160 700.0 0.621 0.621 0.483 0.000 0.000 0.000 3/29160 710.0 0.612 0.612 0.476 0.000 0.000 0.000 3/29160 720.0 0.604 0.604 0.469 0.000 0.000 0.000 3/29160 730.0 0.596 0.596 0.463 0.000 0.000 0.000 3/29160 740.0 0.588 0.588 0.457 0.000 0.000 0.000 3/29160 750.0 0.580 0.580 0.451 0.000 0.000 0.000 3/29160 760.0 0.573 0.573 0.445 0.000 0.000 0.000 3/29160 770.0 0.566 0.566 0.439 0.000 0.000 0.000 3/29160 780.0 0.558 0.558 0.434 0.000 0.000 0.000 3/29160 790.0 0.551 0.551 0.428 0.000 0.000 0.000 3/29160 800.0 0.545 0.545 0.423 0.000 0.000 0.000 3/29160 810.0 0.538 0.538 0.418 0.000 0.000 0.000 3/29160 820.0 0.532 0.532 0.413 0.000 0.000 0.000 3/29160 830.0 0.525 0.525 0.408 0.000 0.000 0.000 3/29160 840.0 0.519 0.519 0.403 0.000 0.000 0.000 3/29160 850.0 0.513 0.513 0.398 0.000 0.000 0.000 3/29160 860.0 0.507 0.507 0.394 0.000 0.000 0.000 3/29160 870.0 0.502 0.502 0.389 0.000 0.000 0.000 3/29160 880.0 0.496 0.496 0.385 0.000 0.000 0.000 3/29160 890.0 0.490 0.490 0.381 0.000 0.000 0.000 3/29160 900.0 0.485 0.485 0.377 0.000 0.000 0.000 3/29160 910.0 0.480 0.480 0.372 0.000 0.000 0.000 3/29160 920.0 0.475 0.475 0.368 0.000 0.000 0.000 3/29160 930.0 0.470 0.470 0.364 0.000 0.000 0.000 3/29160 940.0 0.465 0.465 0.361 0.000 0.000 0.000 3/29160 950.0 0.460 0.460 0.357 0.000 0.000 0.000 3/29160 960.0 0.455 0.455 0.353 0.000 0.000 0.000 3/29160 970.0 0.451 0.451 0.350 0.000 0.000 0.000 3/29160 980.0 0.446 0.446 0.346 0.000 0.000 0.000 3/29160 990.0 0.442 0.442 0.343 0.000 0.000 0.000 3/29160 1000.0 0.437 0.437 0.339 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m1990.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:23:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|