----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:50:19]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.530851410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.789072010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.471046280000001 Atomic positions (fractional): *1 O 0.78590187317974 0.46615515327888 0.21326648880770 15.999 2 O 0.21409812682026 0.96615515327888 0.78673351119230 15.999 3 O 0.28590187317974 0.46615515327888 0.28673351119230 15.999 4 O 0.71409812682026 0.96615515327888 0.71326648880770 15.999 5 O 0.78590187317974 0.03384484672112 0.21326648880770 15.999 6 O 0.21409812682026 0.53384484672112 0.78673351119230 15.999 7 O 0.28590187317974 0.03384484672112 0.28673351119230 15.999 8 O 0.71409812682026 0.53384484672112 0.71326648880770 15.999 *9 O 0.51258131296255 0.75000000000000 0.06624318712665 15.999 10 O 0.48741868703745 0.25000000000000 0.93375681287335 15.999 11 O 0.01258131296255 0.75000000000000 0.43375681287335 15.999 12 O 0.98741868703745 0.25000000000000 0.56624318712665 15.999 *13 Na 0.97731794443937 0.75000000000000 0.99623006814189 22.990 14 Na 0.02268205556063 0.25000000000000 0.00376993185811 22.990 15 Na 0.47731794443937 0.75000000000000 0.50376993185811 22.990 16 Na 0.52268205556063 0.25000000000000 0.49623006814189 22.990 *17 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 18 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 19 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 20 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.530851410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.789072010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.471046280000001 Atomic positions (fractional): *1 O 0.78590187317974 0.46615515327888 0.21326648880770 15.999 > 1 2 O 0.21409812682026 0.96615515327888 0.78673351119230 15.999 > 2 3 O 0.28590187317974 0.46615515327888 0.28673351119230 15.999 > 3 4 O 0.71409812682026 0.96615515327888 0.71326648880770 15.999 > 4 5 O 0.78590187317974 0.03384484672112 0.21326648880770 15.999 > 5 6 O 0.21409812682026 0.53384484672112 0.78673351119230 15.999 > 6 7 O 0.28590187317974 0.03384484672112 0.28673351119230 15.999 > 7 8 O 0.71409812682026 0.53384484672112 0.71326648880770 15.999 > 8 *9 O 0.51258131296255 0.75000000000000 0.06624318712665 15.999 > 9 10 O 0.48741868703745 0.25000000000000 0.93375681287335 15.999 > 10 11 O 0.01258131296255 0.75000000000000 0.43375681287335 15.999 > 11 12 O 0.98741868703745 0.25000000000000 0.56624318712665 15.999 > 12 *13 Na 0.97731794443937 0.75000000000000 0.99623006814189 22.990 > 13 14 Na 0.02268205556063 0.25000000000000 0.00376993185811 22.990 > 14 15 Na 0.47731794443937 0.75000000000000 0.50376993185811 22.990 > 15 16 Na 0.52268205556063 0.25000000000000 0.49623006814189 22.990 > 16 *17 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 17 18 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 18 19 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 19 20 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.061702820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.789072010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.942092560000003 Atomic positions (fractional): *1 O 0.39295093658987 0.46615515327888 0.10663324440385 15.999 > 1 2 O 0.89295093658987 0.46615515327888 0.10663324440385 15.999 > 1 3 O 0.39295093658987 0.46615515327888 0.60663324440385 15.999 > 1 4 O 0.89295093658987 0.46615515327888 0.60663324440385 15.999 > 1 5 O 0.10704906341013 0.96615515327888 0.39336675559615 15.999 > 2 6 O 0.60704906341013 0.96615515327888 0.39336675559615 15.999 > 2 7 O 0.10704906341013 0.96615515327888 0.89336675559615 15.999 > 2 8 O 0.60704906341013 0.96615515327888 0.89336675559615 15.999 > 2 9 O 0.14295093658987 0.46615515327888 0.14336675559615 15.999 > 3 10 O 0.64295093658987 0.46615515327888 0.14336675559615 15.999 > 3 11 O 0.14295093658987 0.46615515327888 0.64336675559615 15.999 > 3 12 O 0.64295093658987 0.46615515327888 0.64336675559615 15.999 > 3 13 O 0.35704906341013 0.96615515327888 0.35663324440385 15.999 > 4 14 O 0.85704906341013 0.96615515327888 0.35663324440385 15.999 > 4 15 O 0.35704906341013 0.96615515327888 0.85663324440385 15.999 > 4 16 O 0.85704906341013 0.96615515327888 0.85663324440385 15.999 > 4 17 O 0.39295093658987 0.03384484672112 0.10663324440385 15.999 > 5 18 O 0.89295093658987 0.03384484672112 0.10663324440385 15.999 > 5 19 O 0.39295093658987 0.03384484672112 0.60663324440385 15.999 > 5 20 O 0.89295093658987 0.03384484672112 0.60663324440385 15.999 > 5 21 O 0.10704906341013 0.53384484672112 0.39336675559615 15.999 > 6 22 O 0.60704906341013 0.53384484672112 0.39336675559615 15.999 > 6 23 O 0.10704906341013 0.53384484672112 0.89336675559615 15.999 > 6 24 O 0.60704906341013 0.53384484672112 0.89336675559615 15.999 > 6 25 O 0.14295093658987 0.03384484672112 0.14336675559615 15.999 > 7 26 O 0.64295093658987 0.03384484672112 0.14336675559615 15.999 > 7 27 O 0.14295093658987 0.03384484672112 0.64336675559615 15.999 > 7 28 O 0.64295093658987 0.03384484672112 0.64336675559615 15.999 > 7 29 O 0.35704906341013 0.53384484672112 0.35663324440385 15.999 > 8 30 O 0.85704906341013 0.53384484672112 0.35663324440385 15.999 > 8 31 O 0.35704906341013 0.53384484672112 0.85663324440385 15.999 > 8 32 O 0.85704906341013 0.53384484672112 0.85663324440385 15.999 > 8 *33 O 0.25629065648128 0.75000000000000 0.03312159356333 15.999 > 9 34 O 0.75629065648128 0.75000000000000 0.03312159356333 15.999 > 9 35 O 0.25629065648128 0.75000000000000 0.53312159356333 15.999 > 9 36 O 0.75629065648128 0.75000000000000 0.53312159356333 15.999 > 9 37 O 0.24370934351872 0.25000000000000 0.46687840643667 15.999 > 10 38 O 0.74370934351872 0.25000000000000 0.46687840643667 15.999 > 10 39 O 0.24370934351872 0.25000000000000 0.96687840643667 15.999 > 10 40 O 0.74370934351872 0.25000000000000 0.96687840643667 15.999 > 10 41 O 0.00629065648128 0.75000000000000 0.21687840643667 15.999 > 11 42 O 0.50629065648128 0.75000000000000 0.21687840643667 15.999 > 11 43 O 0.00629065648128 0.75000000000000 0.71687840643667 15.999 > 11 44 O 0.50629065648128 0.75000000000000 0.71687840643667 15.999 > 11 45 O 0.49370934351872 0.25000000000000 0.28312159356333 15.999 > 12 46 O 0.99370934351872 0.25000000000000 0.28312159356333 15.999 > 12 47 O 0.49370934351872 0.25000000000000 0.78312159356333 15.999 > 12 48 O 0.99370934351872 0.25000000000000 0.78312159356333 15.999 > 12 *49 Na 0.48865897221969 0.75000000000000 0.49811503407094 22.990 > 13 50 Na 0.98865897221969 0.75000000000000 0.49811503407094 22.990 > 13 51 Na 0.48865897221969 0.75000000000000 0.99811503407095 22.990 > 13 52 Na 0.98865897221969 0.75000000000000 0.99811503407095 22.990 > 13 53 Na 0.01134102778031 0.25000000000000 0.00188496592905 22.990 > 14 54 Na 0.51134102778031 0.25000000000000 0.00188496592905 22.990 > 14 55 Na 0.01134102778031 0.25000000000000 0.50188496592905 22.990 > 14 56 Na 0.51134102778031 0.25000000000000 0.50188496592905 22.990 > 14 57 Na 0.23865897221969 0.75000000000000 0.25188496592906 22.990 > 15 58 Na 0.73865897221969 0.75000000000000 0.25188496592906 22.990 > 15 59 Na 0.23865897221969 0.75000000000000 0.75188496592905 22.990 > 15 60 Na 0.73865897221969 0.75000000000000 0.75188496592905 22.990 > 15 61 Na 0.26134102778031 0.25000000000000 0.24811503407095 22.990 > 16 62 Na 0.76134102778031 0.25000000000000 0.24811503407095 22.990 > 16 63 Na 0.26134102778031 0.25000000000000 0.74811503407095 22.990 > 16 64 Na 0.76134102778031 0.25000000000000 0.74811503407095 22.990 > 16 *65 Ta 0.00000000000000 0.50000000000000 0.25000000000000 180.948 > 17 66 Ta 0.50000000000000 0.50000000000000 0.25000000000000 180.948 > 17 67 Ta 0.00000000000000 0.50000000000000 0.75000000000000 180.948 > 17 68 Ta 0.50000000000000 0.50000000000000 0.75000000000000 180.948 > 17 69 Ta 0.00000000000000 0.00000000000000 0.25000000000000 180.948 > 18 70 Ta 0.50000000000000 0.00000000000000 0.25000000000000 180.948 > 18 71 Ta 0.00000000000000 0.00000000000000 0.75000000000000 180.948 > 18 72 Ta 0.50000000000000 0.00000000000000 0.75000000000000 180.948 > 18 73 Ta 0.25000000000000 0.50000000000000 0.00000000000000 180.948 > 19 74 Ta 0.75000000000000 0.50000000000000 0.00000000000000 180.948 > 19 75 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 19 76 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 19 77 Ta 0.25000000000000 0.00000000000000 0.00000000000000 180.948 > 20 78 Ta 0.75000000000000 0.00000000000000 0.00000000000000 180.948 > 20 79 Ta 0.25000000000000 0.00000000000000 0.50000000000000 180.948 > 20 80 Ta 0.75000000000000 0.00000000000000 0.50000000000000 180.948 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4463497 0.0000000 0.0000000 0.0000000 5.3646689 0.0000000 0.0000000 0.0000000 5.3334179 -------------------------- Born effective charges -------------------------- 1 O -4.0314220 0.0248154 -2.4018132 0.0157566 -1.5844468 -0.0132980 -2.3527356 -0.0126812 -3.9255418 2 O -4.0314220 -0.0248154 -2.4018132 -0.0157566 -1.5844468 0.0132980 -2.3527356 0.0126812 -3.9255418 3 O -4.0314220 0.0248154 2.4018132 0.0157566 -1.5844468 0.0132980 2.3527356 0.0126812 -3.9255418 4 O -4.0314220 -0.0248154 2.4018132 -0.0157566 -1.5844468 -0.0132980 2.3527356 -0.0126812 -3.9255418 5 O -4.0314220 -0.0248154 -2.4018132 -0.0157566 -1.5844468 0.0132980 -2.3527356 0.0126812 -3.9255418 6 O -4.0314220 0.0248154 -2.4018132 0.0157566 -1.5844468 -0.0132980 -2.3527356 -0.0126812 -3.9255418 7 O -4.0314220 -0.0248154 2.4018132 -0.0157566 -1.5844468 -0.0132980 2.3527356 -0.0126812 -3.9255418 8 O -4.0314220 0.0248154 2.4018132 0.0157566 -1.5844468 0.0132980 2.3527356 0.0126812 -3.9255418 9 O -1.5458102 0.0000000 0.1142269 0.0000000 -6.3649290 0.0000000 -0.1171181 0.0000000 -1.6061003 10 O -1.5458102 0.0000000 0.1142269 0.0000000 -6.3649290 0.0000000 -0.1171181 0.0000000 -1.6061003 11 O -1.5458102 0.0000000 -0.1142269 0.0000000 -6.3649290 0.0000000 0.1171181 0.0000000 -1.6061003 12 O -1.5458102 0.0000000 -0.1142269 0.0000000 -6.3649290 0.0000000 0.1171181 0.0000000 -1.6061003 13 Na 1.0950563 0.0000000 -0.0582542 0.0000000 1.0972096 0.0000000 -0.0403949 0.0000000 1.0841966 14 Na 1.0950563 0.0000000 -0.0582542 0.0000000 1.0972096 0.0000000 -0.0403949 0.0000000 1.0841966 15 Na 1.0950563 0.0000000 0.0582542 0.0000000 1.0972096 0.0000000 0.0403949 0.0000000 1.0841966 16 Na 1.0950563 0.0000000 0.0582542 0.0000000 1.0972096 0.0000000 0.0403949 0.0000000 1.0841966 17 Ta 8.5135979 0.0036576 0.7863540 0.1963295 8.4366131 -0.9731937 -0.7888141 1.0352637 8.3729873 18 Ta 8.5135979 -0.0036576 0.7863540 -0.1963295 8.4366131 0.9731937 -0.7888141 -1.0352637 8.3729873 19 Ta 8.5135979 0.0036576 -0.7863540 0.1963295 8.4366131 0.9731937 0.7888141 -1.0352637 8.3729873 20 Ta 8.5135979 -0.0036576 -0.7863540 -0.1963295 8.4366131 -0.9731937 0.7888141 1.0352637 8.3729873 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.214 Solver_block: 200 / 320 - Time: 0.192 Solver_block: 300 / 320 - Time: 0.188 Solver_block: 320 / 320 - Time: 0.047 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.653 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:50:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:50:31]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.530851410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.789072010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.471046280000001 Atomic positions (fractional): 1 O 0.78590187317974 0.46615515327888 0.21326648880770 15.999 2 O 0.21409812682026 0.96615515327888 0.78673351119230 15.999 3 O 0.28590187317974 0.46615515327888 0.28673351119230 15.999 4 O 0.71409812682026 0.96615515327888 0.71326648880770 15.999 5 O 0.78590187317974 0.03384484672112 0.21326648880770 15.999 6 O 0.21409812682026 0.53384484672112 0.78673351119230 15.999 7 O 0.28590187317974 0.03384484672112 0.28673351119230 15.999 8 O 0.71409812682026 0.53384484672112 0.71326648880770 15.999 9 O 0.51258131296255 0.75000000000000 0.06624318712665 15.999 10 O 0.48741868703745 0.25000000000000 0.93375681287335 15.999 11 O 0.01258131296255 0.75000000000000 0.43375681287335 15.999 12 O 0.98741868703745 0.25000000000000 0.56624318712665 15.999 13 Na 0.97731794443937 0.75000000000000 0.99623006814189 22.990 14 Na 0.02268205556063 0.25000000000000 0.00376993185811 22.990 15 Na 0.47731794443937 0.75000000000000 0.50376993185811 22.990 16 Na 0.52268205556063 0.25000000000000 0.49623006814189 22.990 17 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 18 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 19 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 20 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.061702820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.789072010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.942092560000003 Atomic positions (fractional): 1 O 0.39295093658987 0.46615515327888 0.10663324440385 15.999 > 1 2 O 0.89295093658987 0.46615515327888 0.10663324440385 15.999 > 1 3 O 0.39295093658987 0.46615515327888 0.60663324440385 15.999 > 1 4 O 0.89295093658987 0.46615515327888 0.60663324440385 15.999 > 1 5 O 0.10704906341013 0.96615515327888 0.39336675559615 15.999 > 5 6 O 0.60704906341013 0.96615515327888 0.39336675559615 15.999 > 5 7 O 0.10704906341013 0.96615515327888 0.89336675559615 15.999 > 5 8 O 0.60704906341013 0.96615515327888 0.89336675559615 15.999 > 5 9 O 0.14295093658987 0.46615515327888 0.14336675559615 15.999 > 9 10 O 0.64295093658987 0.46615515327888 0.14336675559615 15.999 > 9 11 O 0.14295093658987 0.46615515327888 0.64336675559615 15.999 > 9 12 O 0.64295093658987 0.46615515327888 0.64336675559615 15.999 > 9 13 O 0.35704906341013 0.96615515327888 0.35663324440385 15.999 > 13 14 O 0.85704906341013 0.96615515327888 0.35663324440385 15.999 > 13 15 O 0.35704906341013 0.96615515327888 0.85663324440385 15.999 > 13 16 O 0.85704906341013 0.96615515327888 0.85663324440385 15.999 > 13 17 O 0.39295093658987 0.03384484672112 0.10663324440385 15.999 > 17 18 O 0.89295093658987 0.03384484672112 0.10663324440385 15.999 > 17 19 O 0.39295093658987 0.03384484672112 0.60663324440385 15.999 > 17 20 O 0.89295093658987 0.03384484672112 0.60663324440385 15.999 > 17 21 O 0.10704906341013 0.53384484672112 0.39336675559615 15.999 > 21 22 O 0.60704906341013 0.53384484672112 0.39336675559615 15.999 > 21 23 O 0.10704906341013 0.53384484672112 0.89336675559615 15.999 > 21 24 O 0.60704906341013 0.53384484672112 0.89336675559615 15.999 > 21 25 O 0.14295093658987 0.03384484672112 0.14336675559615 15.999 > 25 26 O 0.64295093658987 0.03384484672112 0.14336675559615 15.999 > 25 27 O 0.14295093658987 0.03384484672112 0.64336675559615 15.999 > 25 28 O 0.64295093658987 0.03384484672112 0.64336675559615 15.999 > 25 29 O 0.35704906341013 0.53384484672112 0.35663324440385 15.999 > 29 30 O 0.85704906341013 0.53384484672112 0.35663324440385 15.999 > 29 31 O 0.35704906341013 0.53384484672112 0.85663324440385 15.999 > 29 32 O 0.85704906341013 0.53384484672112 0.85663324440385 15.999 > 29 33 O 0.25629065648128 0.75000000000000 0.03312159356333 15.999 > 33 34 O 0.75629065648128 0.75000000000000 0.03312159356333 15.999 > 33 35 O 0.25629065648128 0.75000000000000 0.53312159356333 15.999 > 33 36 O 0.75629065648128 0.75000000000000 0.53312159356333 15.999 > 33 37 O 0.24370934351872 0.25000000000000 0.46687840643667 15.999 > 37 38 O 0.74370934351872 0.25000000000000 0.46687840643667 15.999 > 37 39 O 0.24370934351872 0.25000000000000 0.96687840643667 15.999 > 37 40 O 0.74370934351872 0.25000000000000 0.96687840643667 15.999 > 37 41 O 0.00629065648128 0.75000000000000 0.21687840643667 15.999 > 41 42 O 0.50629065648128 0.75000000000000 0.21687840643667 15.999 > 41 43 O 0.00629065648128 0.75000000000000 0.71687840643667 15.999 > 41 44 O 0.50629065648128 0.75000000000000 0.71687840643667 15.999 > 41 45 O 0.49370934351872 0.25000000000000 0.28312159356333 15.999 > 45 46 O 0.99370934351872 0.25000000000000 0.28312159356333 15.999 > 45 47 O 0.49370934351872 0.25000000000000 0.78312159356333 15.999 > 45 48 O 0.99370934351872 0.25000000000000 0.78312159356333 15.999 > 45 49 Na 0.48865897221969 0.75000000000000 0.49811503407094 22.990 > 49 50 Na 0.98865897221969 0.75000000000000 0.49811503407094 22.990 > 49 51 Na 0.48865897221969 0.75000000000000 0.99811503407095 22.990 > 49 52 Na 0.98865897221969 0.75000000000000 0.99811503407095 22.990 > 49 53 Na 0.01134102778031 0.25000000000000 0.00188496592905 22.990 > 53 54 Na 0.51134102778031 0.25000000000000 0.00188496592905 22.990 > 53 55 Na 0.01134102778031 0.25000000000000 0.50188496592905 22.990 > 53 56 Na 0.51134102778031 0.25000000000000 0.50188496592905 22.990 > 53 57 Na 0.23865897221969 0.75000000000000 0.25188496592906 22.990 > 57 58 Na 0.73865897221969 0.75000000000000 0.25188496592906 22.990 > 57 59 Na 0.23865897221969 0.75000000000000 0.75188496592905 22.990 > 57 60 Na 0.73865897221969 0.75000000000000 0.75188496592905 22.990 > 57 61 Na 0.26134102778031 0.25000000000000 0.24811503407095 22.990 > 61 62 Na 0.76134102778031 0.25000000000000 0.24811503407095 22.990 > 61 63 Na 0.26134102778031 0.25000000000000 0.74811503407095 22.990 > 61 64 Na 0.76134102778031 0.25000000000000 0.74811503407095 22.990 > 61 65 Ta 0.00000000000000 0.50000000000000 0.25000000000000 180.948 > 65 66 Ta 0.50000000000000 0.50000000000000 0.25000000000000 180.948 > 65 67 Ta 0.00000000000000 0.50000000000000 0.75000000000000 180.948 > 65 68 Ta 0.50000000000000 0.50000000000000 0.75000000000000 180.948 > 65 69 Ta 0.00000000000000 0.00000000000000 0.25000000000000 180.948 > 69 70 Ta 0.50000000000000 0.00000000000000 0.25000000000000 180.948 > 69 71 Ta 0.00000000000000 0.00000000000000 0.75000000000000 180.948 > 69 72 Ta 0.50000000000000 0.00000000000000 0.75000000000000 180.948 > 69 73 Ta 0.25000000000000 0.50000000000000 0.00000000000000 180.948 > 73 74 Ta 0.75000000000000 0.50000000000000 0.00000000000000 180.948 > 73 75 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 73 76 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 73 77 Ta 0.25000000000000 0.00000000000000 0.00000000000000 180.948 > 77 78 Ta 0.75000000000000 0.00000000000000 0.00000000000000 180.948 > 77 79 Ta 0.25000000000000 0.00000000000000 0.50000000000000 180.948 > 77 80 Ta 0.75000000000000 0.00000000000000 0.50000000000000 180.948 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4463497 0.0000000 0.0000000 0.0000000 5.3646689 0.0000000 0.0000000 0.0000000 5.3334179 -------------------------- Born effective charges -------------------------- 1 O -4.0314220 0.0248154 -2.4018132 0.0157566 -1.5844468 -0.0132980 -2.3527356 -0.0126812 -3.9255418 2 O -4.0314220 -0.0248154 -2.4018132 -0.0157566 -1.5844468 0.0132980 -2.3527356 0.0126812 -3.9255418 3 O -4.0314220 0.0248154 2.4018132 0.0157566 -1.5844468 0.0132980 2.3527356 0.0126812 -3.9255418 4 O -4.0314220 -0.0248154 2.4018132 -0.0157566 -1.5844468 -0.0132980 2.3527356 -0.0126812 -3.9255418 5 O -4.0314220 -0.0248154 -2.4018132 -0.0157566 -1.5844468 0.0132980 -2.3527356 0.0126812 -3.9255418 6 O -4.0314220 0.0248154 -2.4018132 0.0157566 -1.5844468 -0.0132980 -2.3527356 -0.0126812 -3.9255418 7 O -4.0314220 -0.0248154 2.4018132 -0.0157566 -1.5844468 -0.0132980 2.3527356 -0.0126812 -3.9255418 8 O -4.0314220 0.0248154 2.4018132 0.0157566 -1.5844468 0.0132980 2.3527356 0.0126812 -3.9255418 9 O -1.5458102 0.0000000 0.1142269 0.0000000 -6.3649290 0.0000000 -0.1171181 0.0000000 -1.6061003 10 O -1.5458102 0.0000000 0.1142269 0.0000000 -6.3649290 0.0000000 -0.1171181 0.0000000 -1.6061003 11 O -1.5458102 0.0000000 -0.1142269 0.0000000 -6.3649290 0.0000000 0.1171181 0.0000000 -1.6061003 12 O -1.5458102 0.0000000 -0.1142269 0.0000000 -6.3649290 0.0000000 0.1171181 0.0000000 -1.6061003 13 Na 1.0950563 0.0000000 -0.0582542 0.0000000 1.0972096 0.0000000 -0.0403949 0.0000000 1.0841966 14 Na 1.0950563 0.0000000 -0.0582542 0.0000000 1.0972096 0.0000000 -0.0403949 0.0000000 1.0841966 15 Na 1.0950563 0.0000000 0.0582542 0.0000000 1.0972096 0.0000000 0.0403949 0.0000000 1.0841966 16 Na 1.0950563 0.0000000 0.0582542 0.0000000 1.0972096 0.0000000 0.0403949 0.0000000 1.0841966 17 Ta 8.5135979 0.0036576 0.7863540 0.1963295 8.4366131 -0.9731937 -0.7888141 1.0352637 8.3729873 18 Ta 8.5135979 -0.0036576 0.7863540 -0.1963295 8.4366131 0.9731937 -0.7888141 -1.0352637 8.3729873 19 Ta 8.5135979 0.0036576 -0.7863540 0.1963295 8.4366131 0.9731937 0.7888141 -1.0352637 8.3729873 20 Ta 8.5135979 -0.0036576 -0.7863540 -0.1963295 8.4366131 -0.9731937 0.7888141 1.0352637 8.3729873 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000011 (yxy) 0.00000011 (yxy) 0.00000011 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (zx) -0.00000004 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:50:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:50:42]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.530851410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.789072010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.471046280000001 Atomic positions (fractional): 1 O 0.78590187317974 0.46615515327888 0.21326648880770 15.999 2 O 0.21409812682026 0.96615515327888 0.78673351119230 15.999 3 O 0.28590187317974 0.46615515327888 0.28673351119230 15.999 4 O 0.71409812682026 0.96615515327888 0.71326648880770 15.999 5 O 0.78590187317974 0.03384484672112 0.21326648880770 15.999 6 O 0.21409812682026 0.53384484672112 0.78673351119230 15.999 7 O 0.28590187317974 0.03384484672112 0.28673351119230 15.999 8 O 0.71409812682026 0.53384484672112 0.71326648880770 15.999 9 O 0.51258131296255 0.75000000000000 0.06624318712665 15.999 10 O 0.48741868703745 0.25000000000000 0.93375681287335 15.999 11 O 0.01258131296255 0.75000000000000 0.43375681287335 15.999 12 O 0.98741868703745 0.25000000000000 0.56624318712665 15.999 13 Na 0.97731794443937 0.75000000000000 0.99623006814189 22.990 14 Na 0.02268205556063 0.25000000000000 0.00376993185811 22.990 15 Na 0.47731794443937 0.75000000000000 0.50376993185811 22.990 16 Na 0.52268205556063 0.25000000000000 0.49623006814189 22.990 17 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 18 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 19 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 20 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.061702820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.789072010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.942092560000003 Atomic positions (fractional): 1 O 0.39295093658987 0.46615515327888 0.10663324440385 15.999 > 1 2 O 0.89295093658987 0.46615515327888 0.10663324440385 15.999 > 1 3 O 0.39295093658987 0.46615515327888 0.60663324440385 15.999 > 1 4 O 0.89295093658987 0.46615515327888 0.60663324440385 15.999 > 1 5 O 0.10704906341013 0.96615515327888 0.39336675559615 15.999 > 5 6 O 0.60704906341013 0.96615515327888 0.39336675559615 15.999 > 5 7 O 0.10704906341013 0.96615515327888 0.89336675559615 15.999 > 5 8 O 0.60704906341013 0.96615515327888 0.89336675559615 15.999 > 5 9 O 0.14295093658987 0.46615515327888 0.14336675559615 15.999 > 9 10 O 0.64295093658987 0.46615515327888 0.14336675559615 15.999 > 9 11 O 0.14295093658987 0.46615515327888 0.64336675559615 15.999 > 9 12 O 0.64295093658987 0.46615515327888 0.64336675559615 15.999 > 9 13 O 0.35704906341013 0.96615515327888 0.35663324440385 15.999 > 13 14 O 0.85704906341013 0.96615515327888 0.35663324440385 15.999 > 13 15 O 0.35704906341013 0.96615515327888 0.85663324440385 15.999 > 13 16 O 0.85704906341013 0.96615515327888 0.85663324440385 15.999 > 13 17 O 0.39295093658987 0.03384484672112 0.10663324440385 15.999 > 17 18 O 0.89295093658987 0.03384484672112 0.10663324440385 15.999 > 17 19 O 0.39295093658987 0.03384484672112 0.60663324440385 15.999 > 17 20 O 0.89295093658987 0.03384484672112 0.60663324440385 15.999 > 17 21 O 0.10704906341013 0.53384484672112 0.39336675559615 15.999 > 21 22 O 0.60704906341013 0.53384484672112 0.39336675559615 15.999 > 21 23 O 0.10704906341013 0.53384484672112 0.89336675559615 15.999 > 21 24 O 0.60704906341013 0.53384484672112 0.89336675559615 15.999 > 21 25 O 0.14295093658987 0.03384484672112 0.14336675559615 15.999 > 25 26 O 0.64295093658987 0.03384484672112 0.14336675559615 15.999 > 25 27 O 0.14295093658987 0.03384484672112 0.64336675559615 15.999 > 25 28 O 0.64295093658987 0.03384484672112 0.64336675559615 15.999 > 25 29 O 0.35704906341013 0.53384484672112 0.35663324440385 15.999 > 29 30 O 0.85704906341013 0.53384484672112 0.35663324440385 15.999 > 29 31 O 0.35704906341013 0.53384484672112 0.85663324440385 15.999 > 29 32 O 0.85704906341013 0.53384484672112 0.85663324440385 15.999 > 29 33 O 0.25629065648128 0.75000000000000 0.03312159356333 15.999 > 33 34 O 0.75629065648128 0.75000000000000 0.03312159356333 15.999 > 33 35 O 0.25629065648128 0.75000000000000 0.53312159356333 15.999 > 33 36 O 0.75629065648128 0.75000000000000 0.53312159356333 15.999 > 33 37 O 0.24370934351872 0.25000000000000 0.46687840643667 15.999 > 37 38 O 0.74370934351872 0.25000000000000 0.46687840643667 15.999 > 37 39 O 0.24370934351872 0.25000000000000 0.96687840643667 15.999 > 37 40 O 0.74370934351872 0.25000000000000 0.96687840643667 15.999 > 37 41 O 0.00629065648128 0.75000000000000 0.21687840643667 15.999 > 41 42 O 0.50629065648128 0.75000000000000 0.21687840643667 15.999 > 41 43 O 0.00629065648128 0.75000000000000 0.71687840643667 15.999 > 41 44 O 0.50629065648128 0.75000000000000 0.71687840643667 15.999 > 41 45 O 0.49370934351872 0.25000000000000 0.28312159356333 15.999 > 45 46 O 0.99370934351872 0.25000000000000 0.28312159356333 15.999 > 45 47 O 0.49370934351872 0.25000000000000 0.78312159356333 15.999 > 45 48 O 0.99370934351872 0.25000000000000 0.78312159356333 15.999 > 45 49 Na 0.48865897221969 0.75000000000000 0.49811503407094 22.990 > 49 50 Na 0.98865897221969 0.75000000000000 0.49811503407094 22.990 > 49 51 Na 0.48865897221969 0.75000000000000 0.99811503407095 22.990 > 49 52 Na 0.98865897221969 0.75000000000000 0.99811503407095 22.990 > 49 53 Na 0.01134102778031 0.25000000000000 0.00188496592905 22.990 > 53 54 Na 0.51134102778031 0.25000000000000 0.00188496592905 22.990 > 53 55 Na 0.01134102778031 0.25000000000000 0.50188496592905 22.990 > 53 56 Na 0.51134102778031 0.25000000000000 0.50188496592905 22.990 > 53 57 Na 0.23865897221969 0.75000000000000 0.25188496592906 22.990 > 57 58 Na 0.73865897221969 0.75000000000000 0.25188496592906 22.990 > 57 59 Na 0.23865897221969 0.75000000000000 0.75188496592905 22.990 > 57 60 Na 0.73865897221969 0.75000000000000 0.75188496592905 22.990 > 57 61 Na 0.26134102778031 0.25000000000000 0.24811503407095 22.990 > 61 62 Na 0.76134102778031 0.25000000000000 0.24811503407095 22.990 > 61 63 Na 0.26134102778031 0.25000000000000 0.74811503407095 22.990 > 61 64 Na 0.76134102778031 0.25000000000000 0.74811503407095 22.990 > 61 65 Ta 0.00000000000000 0.50000000000000 0.25000000000000 180.948 > 65 66 Ta 0.50000000000000 0.50000000000000 0.25000000000000 180.948 > 65 67 Ta 0.00000000000000 0.50000000000000 0.75000000000000 180.948 > 65 68 Ta 0.50000000000000 0.50000000000000 0.75000000000000 180.948 > 65 69 Ta 0.00000000000000 0.00000000000000 0.25000000000000 180.948 > 69 70 Ta 0.50000000000000 0.00000000000000 0.25000000000000 180.948 > 69 71 Ta 0.00000000000000 0.00000000000000 0.75000000000000 180.948 > 69 72 Ta 0.50000000000000 0.00000000000000 0.75000000000000 180.948 > 69 73 Ta 0.25000000000000 0.50000000000000 0.00000000000000 180.948 > 73 74 Ta 0.75000000000000 0.50000000000000 0.00000000000000 180.948 > 73 75 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 73 76 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 73 77 Ta 0.25000000000000 0.00000000000000 0.00000000000000 180.948 > 77 78 Ta 0.75000000000000 0.00000000000000 0.00000000000000 180.948 > 77 79 Ta 0.25000000000000 0.00000000000000 0.50000000000000 180.948 > 77 80 Ta 0.75000000000000 0.00000000000000 0.50000000000000 180.948 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4463497 0.0000000 0.0000000 0.0000000 5.3646689 0.0000000 0.0000000 0.0000000 5.3334179 -------------------------- Born effective charges -------------------------- 1 O -4.0314220 0.0248154 -2.4018132 0.0157566 -1.5844468 -0.0132980 -2.3527356 -0.0126812 -3.9255418 2 O -4.0314220 -0.0248154 -2.4018132 -0.0157566 -1.5844468 0.0132980 -2.3527356 0.0126812 -3.9255418 3 O -4.0314220 0.0248154 2.4018132 0.0157566 -1.5844468 0.0132980 2.3527356 0.0126812 -3.9255418 4 O -4.0314220 -0.0248154 2.4018132 -0.0157566 -1.5844468 -0.0132980 2.3527356 -0.0126812 -3.9255418 5 O -4.0314220 -0.0248154 -2.4018132 -0.0157566 -1.5844468 0.0132980 -2.3527356 0.0126812 -3.9255418 6 O -4.0314220 0.0248154 -2.4018132 0.0157566 -1.5844468 -0.0132980 -2.3527356 -0.0126812 -3.9255418 7 O -4.0314220 -0.0248154 2.4018132 -0.0157566 -1.5844468 -0.0132980 2.3527356 -0.0126812 -3.9255418 8 O -4.0314220 0.0248154 2.4018132 0.0157566 -1.5844468 0.0132980 2.3527356 0.0126812 -3.9255418 9 O -1.5458102 0.0000000 0.1142269 0.0000000 -6.3649290 0.0000000 -0.1171181 0.0000000 -1.6061003 10 O -1.5458102 0.0000000 0.1142269 0.0000000 -6.3649290 0.0000000 -0.1171181 0.0000000 -1.6061003 11 O -1.5458102 0.0000000 -0.1142269 0.0000000 -6.3649290 0.0000000 0.1171181 0.0000000 -1.6061003 12 O -1.5458102 0.0000000 -0.1142269 0.0000000 -6.3649290 0.0000000 0.1171181 0.0000000 -1.6061003 13 Na 1.0950563 0.0000000 -0.0582542 0.0000000 1.0972096 0.0000000 -0.0403949 0.0000000 1.0841966 14 Na 1.0950563 0.0000000 -0.0582542 0.0000000 1.0972096 0.0000000 -0.0403949 0.0000000 1.0841966 15 Na 1.0950563 0.0000000 0.0582542 0.0000000 1.0972096 0.0000000 0.0403949 0.0000000 1.0841966 16 Na 1.0950563 0.0000000 0.0582542 0.0000000 1.0972096 0.0000000 0.0403949 0.0000000 1.0841966 17 Ta 8.5135979 0.0036576 0.7863540 0.1963295 8.4366131 -0.9731937 -0.7888141 1.0352637 8.3729873 18 Ta 8.5135979 -0.0036576 0.7863540 -0.1963295 8.4366131 0.9731937 -0.7888141 -1.0352637 8.3729873 19 Ta 8.5135979 0.0036576 -0.7863540 0.1963295 8.4366131 0.9731937 0.7888141 -1.0352637 8.3729873 20 Ta 8.5135979 -0.0036576 -0.7863540 -0.1963295 8.4366131 -0.9731937 0.7888141 1.0352637 8.3729873 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000011 (yxy) 0.00000011 (yxy) 0.00000011 (yyx) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 319, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.835 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 8.783 ( 0.000 0.000 0.000) 0.000 8.938 ( 0.000 0.000 0.000) 0.000 8.988 ( 0.000 0.000 0.000) 0.000 9.114 ( 0.000 0.000 0.000) 0.000 9.127 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.807 ( 0.000 0.000 0.000) 0.000 10.223 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 11.422 ( 0.000 0.000 0.000) 0.000 12.411 ( 0.000 0.000 0.000) 0.000 12.661 ( 0.000 0.000 0.000) 0.000 12.858 ( 0.000 0.000 0.000) 0.000 13.041 ( 0.000 0.000 0.000) 0.000 13.268 ( 0.000 0.000 0.000) 0.000 15.701 ( 0.000 0.000 0.000) 0.000 16.041 ( 0.000 0.000 0.000) 0.000 16.501 ( 0.000 0.000 0.000) 0.000 16.594 ( 0.000 0.000 0.000) 0.000 16.860 ( 0.000 0.000 0.000) 0.000 16.997 ( 0.000 0.000 0.000) 0.000 18.478 ( 0.000 0.000 0.000) 0.000 18.540 ( 0.000 0.000 0.000) 0.000 19.212 ( 0.000 0.000 0.000) 0.000 26.088 ( 0.000 0.000 0.000) 0.000 27.128 ( 0.000 0.000 0.000) 0.000 28.096 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 29.506 0.000 0.000) 29.506 0.863 ( 40.988 0.000 0.000) 40.988 1.177 ( 56.089 0.000 0.000) 56.089 1.920 ( 0.384 0.000 0.000) 0.384 2.018 ( 15.592 0.000 0.000) 15.592 2.151 ( 28.412 0.000 0.000) 28.412 3.052 ( 6.029 0.000 0.000) 6.029 3.209 ( 24.662 0.000 0.000) 24.662 3.257 ( 15.538 0.000 0.000) 15.538 3.361 ( 21.506 0.000 0.000) 21.506 3.974 ( -3.672 0.000 0.000) 3.672 4.134 ( -0.284 0.000 0.000) 0.284 4.253 ( 15.507 0.000 0.000) 15.507 4.301 ( 0.333 0.000 0.000) 0.333 4.307 ( 22.112 0.000 0.000) 22.112 4.542 ( 4.503 0.000 0.000) 4.503 4.602 ( 1.193 0.000 0.000) 1.193 4.850 ( -9.955 0.000 0.000) 9.955 4.967 ( 19.713 0.000 0.000) 19.713 5.270 ( 12.590 0.000 0.000) 12.590 5.307 ( -2.730 0.000 0.000) 2.730 5.606 ( 3.935 0.000 0.000) 3.935 5.613 ( -0.462 0.000 0.000) 0.462 5.671 ( 1.806 0.000 0.000) 1.806 6.001 ( -1.532 0.000 0.000) 1.532 6.034 ( 0.885 0.000 0.000) 0.885 6.199 ( 38.771 0.000 0.000) 38.771 6.549 ( 9.381 0.000 0.000) 9.381 6.800 ( 5.517 0.000 0.000) 5.517 7.039 ( -2.202 0.000 0.000) 2.202 7.166 ( 10.223 0.000 0.000) 10.223 7.477 ( -4.060 0.000 0.000) 4.060 8.728 ( -5.997 0.000 0.000) 5.997 8.927 ( -6.173 0.000 0.000) 6.173 8.956 ( 3.318 0.000 0.000) 3.318 9.047 ( -6.418 0.000 0.000) 6.418 9.121 ( 1.754 0.000 0.000) 1.754 9.289 ( -9.264 0.000 0.000) 9.264 9.762 ( -4.446 0.000 0.000) 4.446 10.328 ( 4.518 0.000 0.000) 4.518 10.653 ( 4.748 0.000 0.000) 4.748 11.150 ( -1.912 0.000 0.000) 1.912 11.601 ( 0.298 0.000 0.000) 0.298 12.412 ( 0.028 0.000 0.000) 0.028 12.745 ( 0.071 0.000 0.000) 0.071 12.804 ( -5.483 0.000 0.000) 5.483 12.993 ( -4.776 0.000 0.000) 4.776 13.233 ( -3.465 0.000 0.000) 3.465 15.763 ( 5.857 0.000 0.000) 5.857 16.256 ( 20.804 0.000 0.000) 20.804 16.562 ( 6.158 0.000 0.000) 6.158 16.832 ( -2.777 0.000 0.000) 2.777 17.075 ( 7.696 0.000 0.000) 7.696 18.455 ( -2.405 0.000 0.000) 2.405 18.570 ( 2.705 0.000 0.000) 2.705 19.179 ( -3.490 0.000 0.000) 3.490 25.010 ( 7.588 0.000 0.000) 7.588 26.116 ( 3.048 0.000 0.000) 3.048 27.071 ( -5.666 0.000 0.000) 5.666 28.072 ( -2.654 0.000 0.000) 2.654 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 19.902 0.000 0.000) 19.902 1.639 ( 36.293 0.000 0.000) 36.293 1.922 ( -0.352 0.000 0.000) 0.352 2.209 ( 45.673 0.000 0.000) 45.673 2.385 ( 20.049 0.000 0.000) 20.049 2.857 ( 39.237 0.000 0.000) 39.237 3.162 ( 7.816 0.000 0.000) 7.816 3.623 ( 17.276 0.000 0.000) 17.276 3.751 ( 22.950 0.000 0.000) 22.950 3.920 ( 0.153 0.000 0.000) 0.153 3.981 ( 37.944 0.000 0.000) 37.944 4.103 ( -2.837 0.000 0.000) 2.837 4.243 ( -7.971 0.000 0.000) 7.971 4.440 ( 0.018 0.000 0.000) 0.018 4.517 ( 8.994 0.000 0.000) 8.994 4.621 ( 0.743 0.000 0.000) 0.743 4.681 ( -4.929 0.000 0.000) 4.929 5.087 ( 33.232 0.000 0.000) 33.232 5.232 ( -4.712 0.000 0.000) 4.712 5.313 ( 13.904 0.000 0.000) 13.904 5.561 ( 15.381 0.000 0.000) 15.381 5.596 ( -1.458 0.000 0.000) 1.458 5.729 ( 8.694 0.000 0.000) 8.694 5.782 ( 9.601 0.000 0.000) 9.601 6.009 ( 6.424 0.000 0.000) 6.424 6.058 ( 1.299 0.000 0.000) 1.299 6.773 ( 11.360 0.000 0.000) 11.360 6.922 ( 3.290 0.000 0.000) 3.290 6.971 ( -4.242 0.000 0.000) 4.242 7.072 ( 36.801 0.000 0.000) 36.801 7.384 ( 7.202 0.000 0.000) 7.202 7.491 ( 12.885 0.000 0.000) 12.885 8.564 ( -9.222 0.000 0.000) 9.222 8.717 ( -15.743 0.000 0.000) 15.743 8.868 ( -11.094 0.000 0.000) 11.094 9.075 ( -9.722 0.000 0.000) 9.722 9.206 ( 25.910 0.000 0.000) 25.910 9.241 ( 9.893 0.000 0.000) 9.893 9.632 ( -8.182 0.000 0.000) 8.182 10.213 ( -13.731 0.000 0.000) 13.731 10.950 ( 21.283 0.000 0.000) 21.283 11.025 ( -11.166 0.000 0.000) 11.166 11.672 ( 7.179 0.000 0.000) 7.179 12.408 ( -0.534 0.000 0.000) 0.534 12.629 ( -12.282 0.000 0.000) 12.282 12.744 ( -0.511 0.000 0.000) 0.511 12.852 ( -8.840 0.000 0.000) 8.840 13.133 ( -6.267 0.000 0.000) 6.267 15.916 ( 8.809 0.000 0.000) 8.809 16.750 ( -4.940 0.000 0.000) 4.940 16.757 ( 13.329 0.000 0.000) 13.329 16.825 ( 33.590 0.000 0.000) 33.590 17.302 ( 14.780 0.000 0.000) 14.780 18.372 ( -6.183 0.000 0.000) 6.183 18.627 ( 2.254 0.000 0.000) 2.254 19.063 ( -8.235 0.000 0.000) 8.235 25.228 ( 13.840 0.000 0.000) 13.840 26.233 ( 9.273 0.000 0.000) 9.273 26.904 ( -10.862 0.000 0.000) 10.862 27.974 ( -7.508 0.000 0.000) 7.508 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 12.881 0.000 0.000) 12.881 1.898 ( -2.194 0.000 0.000) 2.194 2.324 ( 31.794 0.000 0.000) 31.794 2.801 ( 20.908 0.000 0.000) 20.908 2.960 ( 27.134 0.000 0.000) 27.134 3.357 ( 10.765 0.000 0.000) 10.765 3.643 ( 36.680 0.000 0.000) 36.680 3.776 ( 0.317 0.000 0.000) 0.317 3.982 ( -15.922 0.000 0.000) 15.922 3.998 ( -3.366 0.000 0.000) 3.366 4.030 ( 4.051 0.000 0.000) 4.051 4.117 ( 12.282 0.000 0.000) 12.282 4.519 ( 8.486 0.000 0.000) 8.486 4.604 ( 1.077 0.000 0.000) 1.077 4.661 ( 4.403 0.000 0.000) 4.403 4.670 ( 2.961 0.000 0.000) 2.961 4.743 ( 31.452 0.000 0.000) 31.452 5.109 ( -7.624 0.000 0.000) 7.624 5.393 ( 0.455 0.000 0.000) 0.455 5.540 ( 11.545 0.000 0.000) 11.545 5.544 ( -3.977 0.000 0.000) 3.977 5.842 ( 11.585 0.000 0.000) 11.585 5.888 ( 6.631 0.000 0.000) 6.631 6.028 ( 12.884 0.000 0.000) 12.884 6.079 ( 0.625 0.000 0.000) 0.625 6.466 ( 27.997 0.000 0.000) 27.997 6.857 ( -7.511 0.000 0.000) 7.511 6.930 ( 1.908 0.000 0.000) 1.908 6.934 ( 6.477 0.000 0.000) 6.477 7.500 ( 9.999 0.000 0.000) 9.999 7.621 ( 15.594 0.000 0.000) 15.594 7.865 ( 19.908 0.000 0.000) 19.908 8.311 ( -22.521 0.000 0.000) 22.521 8.378 ( -9.323 0.000 0.000) 9.323 8.631 ( -10.400 0.000 0.000) 10.400 8.954 ( -2.114 0.000 0.000) 2.114 9.417 ( -11.210 0.000 0.000) 11.210 9.495 ( 14.011 0.000 0.000) 14.011 9.849 ( -20.851 0.000 0.000) 20.851 10.028 ( 48.649 0.000 0.000) 48.649 10.720 ( -18.413 0.000 0.000) 18.413 11.409 ( 23.333 0.000 0.000) 23.333 11.867 ( 11.392 0.000 0.000) 11.392 12.295 ( -21.355 0.000 0.000) 21.355 12.381 ( -2.556 0.000 0.000) 2.556 12.598 ( -13.759 0.000 0.000) 13.759 12.768 ( 0.251 0.000 0.000) 0.251 12.993 ( -7.270 0.000 0.000) 7.270 16.101 ( 9.350 0.000 0.000) 9.350 16.625 ( -7.197 0.000 0.000) 7.197 17.089 ( 19.179 0.000 0.000) 19.179 17.526 ( 33.429 0.000 0.000) 33.429 17.656 ( 19.993 0.000 0.000) 19.993 18.198 ( -11.159 0.000 0.000) 11.159 18.631 ( -2.613 0.000 0.000) 2.613 18.840 ( -14.097 0.000 0.000) 14.097 25.551 ( 17.809 0.000 0.000) 17.809 26.505 ( 17.767 0.000 0.000) 17.767 26.641 ( -15.155 0.000 0.000) 15.155 27.754 ( -14.731 0.000 0.000) 14.731 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 8.415 0.000 0.000) 8.415 1.827 ( -4.978 0.000 0.000) 4.978 2.895 ( 24.035 0.000 0.000) 24.035 3.206 ( -3.657 0.000 0.000) 3.657 3.214 ( 20.081 0.000 0.000) 20.081 3.563 ( 9.117 0.000 0.000) 9.117 3.607 ( -18.995 0.000 0.000) 18.995 3.716 ( -6.116 0.000 0.000) 6.116 3.955 ( 1.097 0.000 0.000) 1.097 4.010 ( -3.358 0.000 0.000) 3.358 4.288 ( 22.999 0.000 0.000) 22.999 4.396 ( 14.832 0.000 0.000) 14.832 4.555 ( -6.084 0.000 0.000) 6.084 4.622 ( -3.372 0.000 0.000) 3.372 4.793 ( 9.924 0.000 0.000) 9.924 4.804 ( 8.317 0.000 0.000) 8.317 4.948 ( -6.979 0.000 0.000) 6.979 5.002 ( -5.107 0.000 0.000) 5.107 5.361 ( 0.135 0.000 0.000) 0.135 5.438 ( -5.977 0.000 0.000) 5.977 5.890 ( 16.683 0.000 0.000) 16.683 5.996 ( 3.031 0.000 0.000) 3.031 6.013 ( 5.177 0.000 0.000) 5.177 6.076 ( -1.239 0.000 0.000) 1.239 6.300 ( 18.548 0.000 0.000) 18.548 6.652 ( 0.626 0.000 0.000) 0.626 6.710 ( -5.753 0.000 0.000) 5.753 6.758 ( -19.510 0.000 0.000) 19.510 7.439 ( 31.756 0.000 0.000) 31.756 7.669 ( 9.285 0.000 0.000) 9.285 7.911 ( -15.712 0.000 0.000) 15.712 7.925 ( 11.993 0.000 0.000) 11.993 7.955 ( -13.989 0.000 0.000) 13.989 8.177 ( -11.004 0.000 0.000) 11.004 8.732 ( 23.510 0.000 0.000) 23.510 8.995 ( 6.148 0.000 0.000) 6.148 9.181 ( -11.411 0.000 0.000) 11.411 9.291 ( -27.920 0.000 0.000) 27.920 9.896 ( 19.430 0.000 0.000) 19.430 10.314 ( -21.254 0.000 0.000) 21.254 10.986 ( 44.069 0.000 0.000) 44.069 11.757 ( -32.489 0.000 0.000) 32.489 11.863 ( 21.512 0.000 0.000) 21.512 12.096 ( 10.039 0.000 0.000) 10.039 12.277 ( -17.350 0.000 0.000) 17.350 12.290 ( -6.776 0.000 0.000) 6.776 12.790 ( 2.116 0.000 0.000) 2.116 12.862 ( -5.214 0.000 0.000) 5.214 16.287 ( 9.163 0.000 0.000) 9.163 16.466 ( -8.501 0.000 0.000) 8.501 17.496 ( 20.467 0.000 0.000) 20.467 17.868 ( -13.969 0.000 0.000) 13.969 18.082 ( 21.721 0.000 0.000) 21.721 18.153 ( 20.483 0.000 0.000) 20.483 18.494 ( -11.671 0.000 0.000) 11.671 18.501 ( -19.348 0.000 0.000) 19.348 25.926 ( 19.153 0.000 0.000) 19.153 26.304 ( -18.096 0.000 0.000) 18.096 26.926 ( 23.134 0.000 0.000) 23.134 27.385 ( -21.468 0.000 0.000) 21.468 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.000 26.524 0.000) 26.524 0.681 ( 0.000 27.975 0.000) 27.975 1.103 ( 0.000 50.204 0.000) 50.204 1.798 ( 0.000 -3.612 0.000) 3.612 1.803 ( 0.000 -4.467 0.000) 4.467 2.638 ( 0.000 55.112 0.000) 55.112 2.793 ( 0.000 14.238 0.000) 14.238 2.957 ( 0.000 12.829 0.000) 12.829 3.230 ( 0.000 12.739 0.000) 12.739 3.309 ( 0.000 18.931 0.000) 18.931 3.962 ( 0.000 -0.606 0.000) 0.606 4.117 ( 0.000 6.518 0.000) 6.518 4.218 ( 0.000 11.215 0.000) 11.215 4.236 ( 0.000 -5.379 0.000) 5.379 4.354 ( 0.000 -12.888 0.000) 12.888 4.546 ( 0.000 -0.968 0.000) 0.968 4.612 ( 0.000 8.069 0.000) 8.069 4.955 ( 0.000 -4.553 0.000) 4.553 4.967 ( 0.000 10.712 0.000) 10.712 5.123 ( 0.000 2.669 0.000) 2.669 5.346 ( 0.000 0.709 0.000) 0.709 5.530 ( 0.000 -2.231 0.000) 2.231 5.563 ( 0.000 -3.939 0.000) 3.939 5.620 ( 0.000 -5.401 0.000) 5.401 5.719 ( 0.000 -5.104 0.000) 5.104 5.946 ( 0.000 -7.250 0.000) 7.250 6.072 ( 0.000 3.136 0.000) 3.136 6.590 ( 0.000 12.453 0.000) 12.453 6.840 ( 0.000 1.807 0.000) 1.807 6.981 ( 0.000 -8.088 0.000) 8.088 7.109 ( 0.000 4.942 0.000) 4.942 7.632 ( 0.000 -2.750 0.000) 2.750 8.057 ( 0.000 6.632 0.000) 6.632 8.543 ( 0.000 -22.607 0.000) 22.607 8.876 ( 0.000 -13.268 0.000) 13.268 8.917 ( 0.000 -17.186 0.000) 17.186 8.993 ( 0.000 0.179 0.000) 0.179 9.443 ( 0.000 0.909 0.000) 0.909 9.671 ( 0.000 -11.882 0.000) 11.882 10.065 ( 0.000 -13.978 0.000) 13.978 10.908 ( 0.000 20.710 0.000) 20.710 11.592 ( 0.000 14.471 0.000) 14.471 11.994 ( 0.000 3.492 0.000) 3.492 12.346 ( 0.000 -6.070 0.000) 6.070 12.607 ( 0.000 -4.827 0.000) 4.827 12.882 ( 0.000 2.218 0.000) 2.218 12.965 ( 0.000 -7.013 0.000) 7.013 13.235 ( 0.000 -2.962 0.000) 2.962 15.966 ( 0.000 23.229 0.000) 23.229 16.090 ( 0.000 4.390 0.000) 4.390 16.563 ( 0.000 5.811 0.000) 5.811 16.565 ( 0.000 -2.666 0.000) 2.666 16.970 ( 0.000 -2.472 0.000) 2.472 18.434 ( 0.000 -10.156 0.000) 10.156 18.530 ( 0.000 4.681 0.000) 4.681 19.165 ( 0.000 -4.334 0.000) 4.334 25.141 ( 0.000 5.878 0.000) 5.878 26.017 ( 0.000 -6.478 0.000) 6.478 27.152 ( 0.000 2.373 0.000) 2.373 27.989 ( 0.000 -9.522 0.000) 9.522 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 16.122 16.592 0.000) 23.135 1.085 ( 31.742 17.180 0.000) 36.093 1.621 ( 40.104 31.281 0.000) 50.861 1.977 ( 16.196 -3.120 0.000) 16.494 2.107 ( 27.912 -3.753 0.000) 28.163 2.585 ( -4.470 49.281 0.000) 49.483 3.088 ( 22.771 10.907 0.000) 25.248 3.193 ( 11.924 12.289 0.000) 17.123 3.385 ( 14.199 16.373 0.000) 21.672 3.576 ( 20.397 2.616 0.000) 20.564 4.029 ( 1.407 2.427 0.000) 2.806 4.136 ( -1.184 -7.507 0.000) 7.600 4.265 ( 5.417 -1.045 0.000) 5.517 4.450 ( 22.789 2.857 0.000) 22.968 4.464 ( -0.562 14.015 0.000) 14.026 4.620 ( 0.906 9.623 0.000) 9.666 4.698 ( 15.936 9.058 0.000) 18.331 4.834 ( -8.567 -1.416 0.000) 8.684 4.956 ( 8.458 0.665 0.000) 8.484 5.243 ( 5.746 -0.926 0.000) 5.820 5.364 ( 5.383 3.712 0.000) 6.539 5.504 ( -0.885 -4.574 0.000) 4.659 5.596 ( 6.029 -0.423 0.000) 6.043 5.648 ( 2.574 -3.326 0.000) 4.206 5.922 ( 11.126 -8.557 0.000) 14.036 5.933 ( -1.035 -6.283 0.000) 6.368 6.262 ( 26.349 4.098 0.000) 26.666 6.653 ( 5.294 7.582 0.000) 9.247 6.902 ( 5.668 5.802 0.000) 8.111 7.002 ( 2.244 -2.969 0.000) 3.722 7.235 ( 11.428 6.551 0.000) 13.173 7.529 ( -5.783 2.246 0.000) 6.204 8.426 ( 17.742 -21.029 0.000) 27.513 8.458 ( -8.029 -22.666 0.000) 24.046 8.870 ( -0.573 -8.643 0.000) 8.662 8.950 ( 3.468 -13.072 0.000) 13.525 9.008 ( 1.197 -2.986 0.000) 3.217 9.296 ( -11.091 0.039 0.000) 11.091 9.632 ( -3.798 -11.482 0.000) 12.093 10.275 ( 17.103 -10.480 0.000) 20.058 10.841 ( -6.189 19.112 0.000) 20.089 11.465 ( -10.401 18.424 0.000) 21.157 11.827 ( -6.496 13.214 0.000) 14.725 12.334 ( -1.311 -7.053 0.000) 7.174 12.657 ( 1.982 -6.766 0.000) 7.051 12.837 ( -4.507 2.853 0.000) 5.334 12.910 ( -5.220 -7.428 0.000) 9.079 13.200 ( -3.411 -2.901 0.000) 4.477 16.024 ( 5.479 23.018 0.000) 23.661 16.300 ( 20.280 3.961 0.000) 20.664 16.621 ( 5.949 5.520 0.000) 8.115 16.766 ( 9.562 -4.234 0.000) 10.457 17.048 ( 7.675 -2.484 0.000) 8.067 18.462 ( 2.562 -10.301 0.000) 10.614 18.505 ( -2.518 4.580 0.000) 5.227 19.134 ( -3.343 -4.207 0.000) 5.373 25.056 ( -0.605 5.594 0.000) 5.626 26.038 ( 2.346 -7.210 0.000) 7.582 27.097 ( -5.474 2.573 0.000) 6.049 27.963 ( -2.826 -9.696 0.000) 10.099 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 23.140 10.579 0.000) 25.444 1.757 ( 33.144 10.892 0.000) 34.888 2.336 ( 24.446 -0.983 0.000) 24.466 2.463 ( -5.380 38.612 0.000) 38.985 2.467 ( 34.326 15.943 0.000) 37.848 2.803 ( 36.740 -4.064 0.000) 36.964 3.319 ( 5.432 14.306 0.000) 15.303 3.588 ( 23.857 4.691 0.000) 24.314 3.786 ( 17.685 3.605 0.000) 18.049 3.795 ( 1.556 -3.489 0.000) 3.820 4.055 ( -6.792 -11.629 0.000) 13.467 4.083 ( 3.622 2.075 0.000) 4.174 4.328 ( 2.156 -1.195 0.000) 2.465 4.506 ( 10.019 17.110 0.000) 19.828 4.612 ( -5.311 7.739 0.000) 9.386 4.705 ( 1.160 4.123 0.000) 4.283 5.017 ( 12.325 23.547 0.000) 26.578 5.051 ( 30.115 -2.312 0.000) 30.203 5.180 ( 9.928 -9.881 0.000) 14.007 5.265 ( -0.272 3.108 0.000) 3.120 5.564 ( 6.536 -0.924 0.000) 6.601 5.600 ( 13.380 3.359 0.000) 13.795 5.735 ( 7.007 -3.888 0.000) 8.013 5.753 ( 8.485 1.591 0.000) 8.633 5.955 ( 7.202 -3.661 0.000) 8.079 6.049 ( 4.573 -1.765 0.000) 4.902 6.738 ( 1.584 -3.694 0.000) 4.020 6.900 ( 12.553 -6.047 0.000) 13.934 7.042 ( 16.022 4.961 0.000) 16.773 7.088 ( 6.574 9.341 0.000) 11.423 7.477 ( 3.259 3.946 0.000) 5.118 7.591 ( 22.788 8.351 0.000) 24.270 8.250 ( -12.273 -21.785 0.000) 25.004 8.615 ( 2.141 -17.189 0.000) 17.321 8.800 ( -8.980 -0.984 0.000) 9.034 8.959 ( -6.038 -6.554 0.000) 8.912 9.163 ( 23.820 -5.390 0.000) 24.422 9.220 ( 7.640 1.280 0.000) 7.747 9.527 ( -6.381 -9.872 0.000) 11.754 10.496 ( -6.613 18.531 0.000) 19.676 10.827 ( 15.199 -8.309 0.000) 17.322 11.231 ( -13.753 17.047 0.000) 21.903 11.801 ( 3.416 10.172 0.000) 10.731 12.281 ( -4.564 -10.076 0.000) 11.061 12.676 ( -0.240 -6.138 0.000) 6.143 12.702 ( -8.802 4.980 0.000) 10.113 12.761 ( -9.099 -8.242 0.000) 12.277 13.101 ( -6.267 -2.822 0.000) 6.874 16.166 ( 8.096 22.295 0.000) 23.720 16.811 ( 13.096 4.931 0.000) 13.993 16.842 ( 5.110 5.981 0.000) 7.867 16.853 ( 26.844 2.902 0.000) 27.000 17.275 ( 14.694 -2.571 0.000) 14.917 18.420 ( -6.230 4.394 0.000) 7.623 18.517 ( 2.273 -10.441 0.000) 10.685 19.021 ( -8.157 -3.948 0.000) 9.062 25.190 ( 12.654 -0.992 0.000) 12.692 26.138 ( 8.372 -8.745 0.000) 12.107 26.933 ( -10.716 2.946 0.000) 11.114 27.861 ( -7.725 -10.088 0.000) 12.706 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 18.200 15.623 0.000) 23.986 2.258 ( 2.657 23.040 0.000) 23.193 2.470 ( 19.888 16.299 0.000) 25.714 2.788 ( 21.246 -1.459 0.000) 21.296 3.027 ( 18.632 3.806 0.000) 19.017 3.406 ( 9.450 2.509 0.000) 9.778 3.539 ( 26.222 -6.509 0.000) 27.018 3.748 ( -2.265 -3.121 0.000) 3.856 3.851 ( -11.103 -8.329 0.000) 13.879 3.959 ( 5.816 -2.481 0.000) 6.323 4.046 ( 7.384 -1.742 0.000) 7.586 4.089 ( 2.546 0.813 0.000) 2.673 4.475 ( 11.404 1.392 0.000) 11.489 4.511 ( -1.743 2.874 0.000) 3.361 4.770 ( 11.850 6.849 0.000) 13.687 4.805 ( 6.556 7.962 0.000) 10.314 5.142 ( 1.825 6.938 0.000) 7.174 5.220 ( -2.206 9.229 0.000) 9.489 5.389 ( 9.706 8.019 0.000) 12.590 5.439 ( 4.787 4.525 0.000) 6.587 5.714 ( 10.262 8.676 0.000) 13.438 5.847 ( 11.615 0.644 0.000) 11.633 5.902 ( 8.444 1.330 0.000) 8.548 5.941 ( 11.062 -5.835 0.000) 12.507 6.142 ( 4.912 2.765 0.000) 5.636 6.340 ( 25.465 -9.613 0.000) 27.219 6.710 ( -3.390 -7.159 0.000) 7.921 6.828 ( -8.532 -3.191 0.000) 9.109 7.215 ( 3.942 10.943 0.000) 11.632 7.348 ( 8.460 -7.575 0.000) 11.355 7.666 ( 13.867 4.224 0.000) 14.496 7.923 ( 4.488 -3.327 0.000) 5.586 7.971 ( -14.741 -19.213 0.000) 24.216 8.532 ( -14.534 2.353 0.000) 14.723 8.657 ( 8.519 7.027 0.000) 11.043 8.916 ( 1.262 -1.908 0.000) 2.288 9.377 ( -7.450 -5.416 0.000) 9.210 9.495 ( 18.126 2.937 0.000) 18.363 9.952 ( 47.909 -6.796 0.000) 48.389 10.173 ( -21.228 25.348 0.000) 33.063 10.891 ( -19.947 15.363 0.000) 25.177 11.265 ( 23.893 -13.170 0.000) 27.283 11.938 ( 9.406 6.227 0.000) 11.281 12.100 ( -15.187 -12.719 0.000) 19.810 12.500 ( -14.579 -9.059 0.000) 17.164 12.512 ( -9.020 6.746 0.000) 11.263 12.703 ( 0.822 -5.782 0.000) 5.841 12.959 ( -7.506 -2.993 0.000) 8.081 16.334 ( 8.417 20.912 0.000) 22.542 16.781 ( -5.066 13.104 0.000) 14.049 17.139 ( 19.009 4.526 0.000) 19.541 17.518 ( 31.493 -0.908 0.000) 31.506 17.626 ( 19.809 -2.806 0.000) 20.007 18.244 ( -11.365 4.197 0.000) 12.115 18.526 ( -2.036 -9.917 0.000) 10.123 18.799 ( -13.942 -3.710 0.000) 14.427 25.517 ( 18.939 -1.766 0.000) 19.021 26.395 ( 17.255 -9.942 0.000) 19.914 26.670 ( -15.408 2.941 0.000) 15.686 27.637 ( -14.856 -10.428 0.000) 18.151 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 12.365 21.310 0.000) 24.638 2.148 ( -8.248 25.420 0.000) 26.724 2.938 ( 19.725 3.830 0.000) 20.094 3.140 ( 5.697 -3.512 0.000) 6.692 3.238 ( 10.508 -0.857 0.000) 10.543 3.516 ( -3.186 -5.330 0.000) 6.210 3.577 ( -5.654 -1.575 0.000) 5.869 3.680 ( -5.600 -3.956 0.000) 6.856 3.893 ( 3.549 -11.799 0.000) 12.322 3.910 ( -2.193 -4.170 0.000) 4.711 4.183 ( 5.812 -2.837 0.000) 6.467 4.206 ( 3.393 -6.036 0.000) 6.924 4.601 ( 9.688 -1.437 0.000) 9.794 4.680 ( 5.476 4.499 0.000) 7.087 4.908 ( 3.155 5.707 0.000) 6.521 4.916 ( 3.342 6.484 0.000) 7.295 5.141 ( -1.712 5.263 0.000) 5.534 5.152 ( -3.742 15.256 0.000) 15.708 5.448 ( -0.453 9.752 0.000) 9.763 5.460 ( -0.880 11.043 0.000) 11.078 6.006 ( 10.112 7.576 0.000) 12.635 6.016 ( 5.206 2.303 0.000) 5.692 6.068 ( 5.710 4.389 0.000) 7.202 6.088 ( 3.435 1.080 0.000) 3.601 6.312 ( 16.353 1.309 0.000) 16.405 6.619 ( -0.479 -2.966 0.000) 3.004 6.660 ( -6.561 -9.967 0.000) 11.933 6.669 ( -5.895 -3.880 0.000) 7.058 7.296 ( 10.625 -9.342 0.000) 14.148 7.458 ( 2.255 -13.873 0.000) 14.055 7.730 ( -7.858 -11.300 0.000) 13.763 7.760 ( -11.988 -14.504 0.000) 18.817 7.978 ( 13.885 4.199 0.000) 14.506 8.255 ( -13.394 3.020 0.000) 13.731 8.989 ( 15.313 13.283 0.000) 20.271 8.991 ( 5.477 -0.486 0.000) 5.499 9.272 ( 2.733 9.676 0.000) 10.055 9.657 ( -23.300 26.723 0.000) 35.454 9.955 ( 21.194 8.363 0.000) 22.784 10.434 ( -23.576 12.165 0.000) 26.530 10.900 ( 42.527 -7.734 0.000) 43.225 11.638 ( -29.130 -10.479 0.000) 30.957 11.738 ( 21.314 -11.616 0.000) 24.274 12.130 ( -0.951 -0.616 0.000) 1.133 12.176 ( -7.613 -5.641 0.000) 9.475 12.343 ( -8.585 4.416 0.000) 9.654 12.736 ( 2.693 -4.854 0.000) 5.551 12.820 ( -5.790 -3.731 0.000) 6.889 16.501 ( 8.104 19.074 0.000) 20.724 16.655 ( -7.162 16.696 0.000) 18.167 17.544 ( 20.339 4.278 0.000) 20.784 17.905 ( -10.947 2.992 0.000) 11.348 18.046 ( 21.311 -3.273 0.000) 21.561 18.109 ( 15.172 -3.908 0.000) 15.667 18.409 ( -10.096 -8.008 0.000) 12.886 18.465 ( -18.909 -3.288 0.000) 19.192 25.920 ( 20.558 0.117 0.000) 20.559 26.322 ( -18.990 2.014 0.000) 19.096 26.809 ( 22.965 -10.431 0.000) 25.223 27.267 ( -21.457 -10.545 0.000) 23.908 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.000 17.089 0.000) 17.089 1.170 ( 0.000 18.057 0.000) 18.057 1.646 ( 0.000 -7.966 0.000) 7.966 1.681 ( 0.000 -7.317 0.000) 7.317 2.137 ( 0.000 43.011 0.000) 43.011 3.067 ( 0.000 6.561 0.000) 6.561 3.299 ( 0.000 17.468 0.000) 17.468 3.595 ( 0.000 20.052 0.000) 20.052 3.671 ( 0.000 21.554 0.000) 21.554 3.923 ( 0.000 44.731 0.000) 44.731 3.975 ( 0.000 1.680 0.000) 1.680 4.089 ( 0.000 -11.065 0.000) 11.065 4.092 ( 0.000 -4.767 0.000) 4.767 4.258 ( 0.000 4.430 0.000) 4.430 4.452 ( 0.000 9.612 0.000) 9.612 4.480 ( 0.000 -7.149 0.000) 7.149 4.827 ( 0.000 -6.985 0.000) 6.985 4.876 ( 0.000 -15.580 0.000) 15.580 4.880 ( 0.000 15.137 0.000) 15.137 5.234 ( 0.000 9.881 0.000) 9.881 5.356 ( 0.000 -0.420 0.000) 0.420 5.512 ( 0.000 -3.727 0.000) 3.727 5.528 ( 0.000 4.256 0.000) 4.256 5.584 ( 0.000 -6.192 0.000) 6.192 5.692 ( 0.000 -16.189 0.000) 16.189 5.737 ( 0.000 17.024 0.000) 17.024 6.113 ( 0.000 -0.124 0.000) 0.124 6.655 ( 0.000 -24.001 0.000) 24.001 6.936 ( 0.000 19.159 0.000) 19.159 6.986 ( 0.000 13.923 0.000) 13.923 7.251 ( 0.000 7.724 0.000) 7.724 7.549 ( 0.000 -4.917 0.000) 4.917 7.962 ( 0.000 -28.304 0.000) 28.304 8.083 ( 0.000 -15.801 0.000) 15.801 8.603 ( 0.000 0.716 0.000) 0.716 8.699 ( 0.000 -1.757 0.000) 1.757 8.971 ( 0.000 -3.339 0.000) 3.339 9.336 ( 0.000 -18.726 0.000) 18.726 9.431 ( 0.000 -0.981 0.000) 0.981 9.700 ( 0.000 -17.297 0.000) 17.297 11.390 ( 0.000 22.484 0.000) 22.484 11.967 ( 0.000 18.863 0.000) 18.863 12.101 ( 0.000 6.279 0.000) 6.279 12.152 ( 0.000 -12.121 0.000) 12.121 12.471 ( 0.000 -7.273 0.000) 7.273 12.747 ( 0.000 -13.117 0.000) 13.117 12.949 ( 0.000 3.963 0.000) 3.963 13.151 ( 0.000 -4.660 0.000) 4.660 16.213 ( 0.000 6.639 0.000) 6.639 16.482 ( 0.000 -4.982 0.000) 4.982 16.519 ( 0.000 19.600 0.000) 19.600 16.818 ( 0.000 23.718 0.000) 23.718 16.891 ( 0.000 -4.921 0.000) 4.921 18.091 ( 0.000 -22.084 0.000) 22.084 18.668 ( 0.000 7.942 0.000) 7.942 19.034 ( 0.000 -7.604 0.000) 7.604 25.319 ( 0.000 10.415 0.000) 10.415 25.825 ( 0.000 -11.016 0.000) 11.016 27.244 ( 0.000 6.590 0.000) 6.590 27.726 ( 0.000 -13.907 0.000) 13.907 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 12.459 20.987 0.000) 24.406 1.465 ( 25.541 16.688 0.000) 30.509 1.824 ( 16.534 -7.625 0.000) 18.207 1.983 ( 27.023 -7.752 0.000) 28.113 2.376 ( 22.876 34.277 0.000) 41.210 3.340 ( -0.986 16.873 0.000) 16.902 3.362 ( 19.278 1.147 0.000) 19.313 3.681 ( 8.270 14.001 0.000) 16.261 3.697 ( 3.045 21.746 0.000) 21.958 3.865 ( -1.087 27.398 0.000) 27.420 3.988 ( -7.442 -0.834 0.000) 7.489 4.092 ( 5.868 3.417 0.000) 6.790 4.195 ( -0.393 -4.220 0.000) 4.239 4.480 ( 15.679 1.642 0.000) 15.765 4.556 ( 19.597 -6.746 0.000) 20.726 4.769 ( -3.136 -2.156 0.000) 3.805 4.845 ( 19.971 2.741 0.000) 20.158 4.893 ( 7.673 -4.103 0.000) 8.701 4.929 ( 3.782 14.567 0.000) 15.050 5.262 ( 2.429 3.050 0.000) 3.899 5.448 ( 9.440 4.037 0.000) 10.267 5.529 ( 2.087 -0.762 0.000) 2.222 5.633 ( 9.014 6.095 0.000) 10.881 5.708 ( 4.629 7.013 0.000) 8.403 5.733 ( 4.316 -11.774 0.000) 12.540 5.741 ( 8.471 2.977 0.000) 8.978 6.307 ( 20.717 -1.254 0.000) 20.755 6.619 ( -2.087 -16.275 0.000) 16.408 7.020 ( 6.315 6.363 0.000) 8.964 7.062 ( 10.329 11.754 0.000) 15.648 7.406 ( 4.226 2.325 0.000) 4.823 7.509 ( 5.648 2.037 0.000) 6.004 7.906 ( -5.262 -26.045 0.000) 26.572 8.139 ( 5.000 -12.965 0.000) 13.895 8.702 ( 9.410 -2.787 0.000) 9.814 8.705 ( 0.387 -3.095 0.000) 3.119 8.936 ( -4.019 -5.622 0.000) 6.911 9.306 ( -2.839 -18.169 0.000) 18.390 9.342 ( -3.119 5.501 0.000) 6.324 9.929 ( 18.060 -19.146 0.000) 26.320 11.322 ( -6.803 23.088 0.000) 24.070 11.882 ( -8.005 20.007 0.000) 21.549 12.062 ( -2.623 9.562 0.000) 9.915 12.118 ( -3.431 -13.085 0.000) 13.527 12.488 ( 1.084 -8.683 0.000) 8.751 12.683 ( -6.125 -13.494 0.000) 14.819 12.915 ( -3.429 4.277 0.000) 5.482 13.118 ( -3.253 -4.557 0.000) 5.599 16.412 ( 18.985 6.077 0.000) 19.934 16.590 ( 6.842 20.943 0.000) 22.032 16.668 ( 15.115 -5.128 0.000) 15.961 16.850 ( 3.464 21.370 0.000) 21.649 16.970 ( 7.685 -4.373 0.000) 8.842 18.117 ( 2.322 -22.196 0.000) 22.317 18.642 ( -2.723 7.880 0.000) 8.337 19.005 ( -3.081 -7.536 0.000) 8.141 25.247 ( -4.095 11.685 0.000) 12.382 25.822 ( 0.266 -12.485 0.000) 12.488 27.195 ( -4.917 6.956 0.000) 8.518 27.695 ( -3.340 -14.247 0.000) 14.633 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 24.117 23.357 0.000) 33.574 2.049 ( 30.166 15.067 0.000) 33.719 2.248 ( 24.084 -6.341 0.000) 24.904 2.617 ( 32.288 -9.758 0.000) 33.730 2.848 ( 19.307 18.247 0.000) 26.565 3.197 ( -9.637 21.897 0.000) 23.924 3.619 ( 3.622 -10.385 0.000) 10.998 3.734 ( -6.499 16.496 0.000) 17.730 3.797 ( -2.384 -6.858 0.000) 7.261 3.857 ( 8.760 12.246 0.000) 15.056 3.937 ( 2.109 8.422 0.000) 8.682 4.144 ( 1.702 1.821 0.000) 2.493 4.276 ( 10.100 1.213 0.000) 10.173 4.662 ( -0.411 1.262 0.000) 1.327 4.822 ( 7.733 0.638 0.000) 7.759 4.830 ( 4.627 -16.730 0.000) 17.358 4.898 ( 5.504 16.105 0.000) 17.020 5.106 ( 16.691 9.516 0.000) 19.213 5.345 ( 6.281 3.064 0.000) 6.988 5.394 ( 21.799 -0.610 0.000) 21.808 5.621 ( 7.342 4.634 0.000) 8.682 5.691 ( 13.265 4.263 0.000) 13.933 5.766 ( 4.234 0.490 0.000) 4.262 5.808 ( 8.037 19.919 0.000) 21.479 5.937 ( 14.482 4.012 0.000) 15.027 5.966 ( 10.405 -5.564 0.000) 11.799 6.591 ( -0.996 -11.240 0.000) 11.284 6.729 ( 8.691 -11.442 0.000) 14.369 7.171 ( 8.083 5.879 0.000) 9.995 7.273 ( 8.941 6.519 0.000) 11.065 7.506 ( 11.096 -5.303 0.000) 12.298 7.766 ( -8.345 -20.915 0.000) 22.519 7.794 ( 13.694 14.064 0.000) 19.630 8.329 ( 17.785 -8.357 0.000) 19.650 8.690 ( -3.440 -4.841 0.000) 5.938 8.811 ( -6.189 -7.376 0.000) 9.629 9.016 ( 24.715 -6.461 0.000) 25.545 9.240 ( -2.861 -15.267 0.000) 15.533 9.416 ( 11.030 16.079 0.000) 19.499 10.355 ( 23.698 -21.663 0.000) 32.107 11.117 ( -13.577 24.623 0.000) 28.118 11.661 ( -14.009 21.641 0.000) 25.779 12.006 ( -8.035 -15.590 0.000) 17.539 12.038 ( 0.959 11.176 0.000) 11.217 12.488 ( -6.185 -12.480 0.000) 13.928 12.525 ( -4.332 -11.954 0.000) 12.715 12.811 ( -6.906 5.126 0.000) 8.600 13.021 ( -6.244 -4.427 0.000) 7.654 16.766 ( 9.308 27.793 0.000) 29.310 16.912 ( 28.635 3.020 0.000) 28.793 16.952 ( 11.231 2.771 0.000) 11.568 16.976 ( 10.021 13.471 0.000) 16.789 17.194 ( 14.442 -4.751 0.000) 15.204 18.170 ( 2.529 -22.121 0.000) 22.265 18.551 ( -6.545 7.573 0.000) 10.009 18.900 ( -7.723 -7.140 0.000) 10.518 25.271 ( 7.684 8.896 0.000) 11.755 25.878 ( 6.431 -14.857 0.000) 16.189 27.044 ( -10.206 7.701 0.000) 12.785 27.580 ( -8.376 -15.009 0.000) 17.188 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 22.483 25.722 0.000) 34.163 2.606 ( 22.885 13.766 0.000) 26.706 2.731 ( 22.623 -4.094 0.000) 22.991 2.933 ( -3.951 15.686 0.000) 16.175 3.078 ( 4.856 2.382 0.000) 5.409 3.279 ( 20.037 -7.483 0.000) 21.389 3.525 ( -10.456 -3.793 0.000) 11.122 3.571 ( -4.761 -13.745 0.000) 14.546 3.755 ( -4.232 3.493 0.000) 5.487 3.973 ( 2.288 -4.110 0.000) 4.704 4.001 ( 2.328 5.269 0.000) 5.760 4.127 ( -2.829 1.330 0.000) 3.126 4.567 ( 15.459 5.001 0.000) 16.248 4.648 ( 0.303 9.065 0.000) 9.070 4.923 ( 5.269 -13.170 0.000) 14.185 4.924 ( 3.441 1.731 0.000) 3.852 5.014 ( 7.026 16.267 0.000) 17.719 5.410 ( 7.883 7.429 0.000) 10.832 5.573 ( 14.645 5.112 0.000) 15.512 5.747 ( 14.733 -7.090 0.000) 16.350 5.786 ( 7.651 9.774 0.000) 12.412 5.876 ( 9.743 3.033 0.000) 10.204 5.956 ( 12.840 3.865 0.000) 13.409 6.012 ( 10.647 17.668 0.000) 20.628 6.165 ( 9.718 -0.320 0.000) 9.723 6.194 ( 9.431 -1.396 0.000) 9.534 6.564 ( -1.824 -8.031 0.000) 8.236 6.690 ( -6.210 -10.112 0.000) 11.866 7.275 ( 0.935 0.988 0.000) 1.360 7.345 ( -3.916 1.261 0.000) 4.114 7.601 ( -6.393 -13.360 0.000) 14.811 7.618 ( -4.052 -12.040 0.000) 12.704 7.959 ( 7.288 15.211 0.000) 16.867 8.529 ( -10.169 -0.173 0.000) 10.171 8.778 ( 1.568 -10.488 0.000) 10.604 8.788 ( 18.319 -5.179 0.000) 19.037 9.262 ( 10.370 2.134 0.000) 10.588 9.754 ( 44.723 -11.256 0.000) 46.117 9.768 ( 23.042 21.780 0.000) 31.707 10.762 ( -15.548 25.531 0.000) 29.893 10.873 ( 21.099 -20.611 0.000) 29.496 11.316 ( -20.299 22.646 0.000) 30.412 11.773 ( -15.950 -17.997 0.000) 24.047 12.110 ( 6.036 9.113 0.000) 10.931 12.221 ( -16.462 -16.446 0.000) 23.269 12.537 ( 1.919 -9.234 0.000) 9.432 12.646 ( -9.142 5.881 0.000) 10.870 12.875 ( -8.055 -4.665 0.000) 9.308 16.923 ( 6.470 31.690 0.000) 32.343 17.096 ( 3.328 14.396 0.000) 14.776 17.270 ( 18.335 7.541 0.000) 19.825 17.475 ( 25.509 -3.542 0.000) 25.754 17.538 ( 19.350 -5.301 0.000) 20.063 18.198 ( -0.279 -20.888 0.000) 20.890 18.367 ( -11.943 7.042 0.000) 13.864 18.687 ( -13.472 -6.548 0.000) 14.979 25.547 ( 18.765 5.763 0.000) 19.630 26.108 ( 16.523 -15.870 0.000) 22.910 26.783 ( -15.770 8.011 0.000) 17.688 27.345 ( -15.233 -15.657 0.000) 21.844 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 14.792 27.723 0.000) 31.422 2.712 ( -7.354 24.033 0.000) 25.133 3.051 ( 9.191 6.638 0.000) 11.337 3.074 ( 6.740 -2.259 0.000) 7.109 3.169 ( 9.514 -4.485 0.000) 10.519 3.349 ( -7.085 -9.421 0.000) 11.788 3.496 ( 0.588 -8.045 0.000) 8.066 3.500 ( -1.756 -13.602 0.000) 13.714 3.716 ( 3.448 -0.854 0.000) 3.553 3.878 ( -10.527 2.352 0.000) 10.786 4.049 ( 4.697 -10.199 0.000) 11.228 4.112 ( -1.023 -5.074 0.000) 5.176 4.690 ( 3.403 8.735 0.000) 9.374 4.732 ( 1.030 2.631 0.000) 2.825 4.975 ( 1.603 -1.081 0.000) 1.933 4.984 ( 0.937 -5.274 0.000) 5.357 5.261 ( 14.522 16.745 0.000) 22.165 5.460 ( -3.781 14.498 0.000) 14.983 5.756 ( 6.831 13.878 0.000) 15.468 5.857 ( -1.262 17.237 0.000) 17.283 6.008 ( 10.145 -6.992 0.000) 12.321 6.084 ( 5.179 3.346 0.000) 6.166 6.166 ( 4.412 2.077 0.000) 4.877 6.182 ( 4.072 5.624 0.000) 6.943 6.348 ( 9.501 -15.920 0.000) 18.540 6.372 ( 9.469 4.624 0.000) 10.538 6.527 ( -1.584 -6.040 0.000) 6.245 6.558 ( -6.510 -5.245 0.000) 8.360 7.182 ( -6.196 0.147 0.000) 6.198 7.234 ( -6.088 -4.889 0.000) 7.808 7.464 ( -4.095 -11.786 0.000) 12.477 7.506 ( -4.529 -9.560 0.000) 10.579 8.135 ( 9.483 11.457 0.000) 14.872 8.328 ( -9.749 5.277 0.000) 11.085 8.836 ( 3.675 -13.623 0.000) 14.110 8.901 ( -1.758 -16.074 0.000) 16.170 9.724 ( 29.255 25.835 0.000) 39.030 10.252 ( 1.794 27.028 0.000) 27.088 10.340 ( -0.691 25.756 0.000) 25.766 10.619 ( 34.699 -12.339 0.000) 36.828 10.868 ( -20.004 20.522 0.000) 28.658 11.327 ( -18.974 -18.607 0.000) 26.575 11.386 ( 15.891 -20.399 0.000) 25.858 11.841 ( -21.202 -18.856 0.000) 28.374 12.267 ( 9.033 6.768 0.000) 11.287 12.456 ( -9.594 5.859 0.000) 11.242 12.598 ( 4.340 -7.601 0.000) 8.753 12.716 ( -7.247 -5.721 0.000) 9.234 17.035 ( 4.710 28.801 0.000) 29.184 17.105 ( -1.909 23.219 0.000) 23.297 17.667 ( 20.055 6.880 0.000) 21.202 17.881 ( 12.802 -9.092 0.000) 15.702 17.944 ( 19.576 -6.437 0.000) 20.607 18.080 ( -14.830 4.404 0.000) 15.470 18.143 ( -4.799 -16.821 0.000) 17.493 18.364 ( -18.310 -6.028 0.000) 19.277 25.974 ( 22.553 5.853 0.000) 23.300 26.415 ( -20.598 7.257 0.000) 21.838 26.515 ( 22.819 -15.916 0.000) 27.821 26.972 ( -21.498 -15.886 0.000) 26.730 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 0.000 -12.083 0.000) 12.083 1.428 ( 0.000 12.083 0.000) 12.083 1.481 ( 0.000 -11.580 0.000) 11.580 1.481 ( 0.000 11.580 0.000) 11.580 2.891 ( 0.000 -24.118 0.000) 24.118 2.891 ( 0.000 24.118 0.000) 24.118 3.648 ( 0.000 -13.814 0.000) 13.814 3.648 ( 0.000 13.814 0.000) 13.814 3.924 ( 0.000 -6.154 0.000) 6.154 3.924 ( 0.000 6.154 0.000) 6.154 4.155 ( 0.000 -19.091 0.000) 19.091 4.155 ( 0.000 19.091 0.000) 19.091 4.217 ( 0.000 -8.659 0.000) 8.659 4.217 ( 0.000 8.659 0.000) 8.659 4.621 ( 0.000 -16.453 0.000) 16.453 4.621 ( 0.000 16.453 0.000) 16.453 4.624 ( 0.000 -7.532 0.000) 7.532 4.624 ( 0.000 7.532 0.000) 7.532 5.194 ( 0.000 -16.062 0.000) 16.062 5.194 ( 0.000 16.062 0.000) 16.062 5.423 ( 0.000 -5.157 0.000) 5.157 5.423 ( 0.000 5.157 0.000) 5.157 5.489 ( 0.000 -1.888 0.000) 1.888 5.489 ( 0.000 1.888 0.000) 1.888 5.974 ( 0.000 -35.323 0.000) 35.323 5.974 ( 0.000 35.323 0.000) 35.323 6.033 ( 0.000 -8.378 0.000) 8.378 6.033 ( 0.000 8.378 0.000) 8.378 7.398 ( 0.000 -24.027 0.000) 24.027 7.398 ( 0.000 24.027 0.000) 24.027 7.399 ( 0.000 -0.591 0.000) 0.591 7.399 ( 0.000 0.591 0.000) 0.591 7.500 ( 0.000 -23.938 0.000) 23.938 7.500 ( 0.000 23.938 0.000) 23.938 8.813 ( 0.000 -9.922 0.000) 9.922 8.813 ( 0.000 9.922 0.000) 9.922 8.907 ( 0.000 -20.089 0.000) 20.089 8.907 ( 0.000 20.089 0.000) 20.089 9.453 ( 0.000 -4.788 0.000) 4.788 9.453 ( 0.000 4.788 0.000) 4.788 11.828 ( 0.000 -18.016 0.000) 18.016 11.828 ( 0.000 18.016 0.000) 18.016 12.233 ( 0.000 -2.824 0.000) 2.824 12.233 ( 0.000 2.824 0.000) 2.824 12.437 ( 0.000 -12.571 0.000) 12.571 12.437 ( 0.000 12.571 0.000) 12.571 13.046 ( 0.000 -4.890 0.000) 4.890 13.046 ( 0.000 4.890 0.000) 4.890 16.357 ( 0.000 -6.546 0.000) 6.546 16.357 ( 0.000 6.546 0.000) 6.546 16.759 ( 0.000 -7.513 0.000) 7.513 16.759 ( 0.000 7.513 0.000) 7.513 17.496 ( 0.000 -32.601 0.000) 32.601 17.496 ( 0.000 32.601 0.000) 32.601 18.853 ( 0.000 -8.957 0.000) 8.957 18.853 ( 0.000 8.957 0.000) 8.957 25.569 ( 0.000 -12.382 0.000) 12.382 25.569 ( 0.000 12.382 0.000) 12.382 27.442 ( 0.000 -11.796 0.000) 11.796 27.442 ( 0.000 11.796 0.000) 11.796 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 16.485 -13.136 0.000) 21.078 1.604 ( 16.485 13.136 0.000) 21.078 1.773 ( 25.671 -12.032 0.000) 28.350 1.773 ( 25.671 12.032 0.000) 28.350 3.050 ( 13.783 -25.964 0.000) 29.396 3.050 ( 13.783 25.964 0.000) 29.396 3.643 ( -1.839 -12.371 0.000) 12.507 3.643 ( -1.839 12.371 0.000) 12.507 4.051 ( -0.759 -11.596 0.000) 11.621 4.051 ( -0.759 11.596 0.000) 11.621 4.146 ( -5.988 -7.966 0.000) 9.966 4.146 ( -5.988 7.966 0.000) 9.966 4.246 ( 14.134 -13.510 0.000) 19.553 4.246 ( 14.134 13.510 0.000) 19.553 4.654 ( 3.323 -10.281 0.000) 10.805 4.654 ( 3.323 10.281 0.000) 10.805 4.870 ( 20.755 -1.901 0.000) 20.842 4.870 ( 20.755 1.901 0.000) 20.842 5.211 ( 2.208 -10.898 0.000) 11.119 5.211 ( 2.208 10.898 0.000) 11.119 5.526 ( 9.603 -4.337 0.000) 10.537 5.526 ( 9.603 4.337 0.000) 10.537 5.568 ( 8.055 -5.210 0.000) 9.593 5.568 ( 8.055 5.210 0.000) 9.593 6.060 ( 7.596 -30.612 0.000) 31.540 6.060 ( 7.596 30.612 0.000) 31.540 6.145 ( 11.054 -15.047 0.000) 18.671 6.145 ( 11.054 15.047 0.000) 18.671 7.215 ( -4.372 -11.690 0.000) 12.480 7.215 ( -4.372 11.690 0.000) 12.480 7.409 ( 0.983 -19.868 0.000) 19.892 7.409 ( 0.983 19.868 0.000) 19.892 7.779 ( 16.093 -17.016 0.000) 23.421 7.779 ( 16.093 17.016 0.000) 23.421 8.776 ( -3.576 -7.824 0.000) 8.602 8.776 ( -3.576 7.824 0.000) 8.602 8.906 ( 0.366 -17.372 0.000) 17.376 8.906 ( 0.366 17.372 0.000) 17.376 9.553 ( 9.989 -14.329 0.000) 17.468 9.553 ( 9.989 14.329 0.000) 17.468 11.776 ( -5.266 -18.827 0.000) 19.550 11.776 ( -5.266 18.827 0.000) 19.550 12.219 ( -1.724 -3.241 0.000) 3.671 12.219 ( -1.724 3.241 0.000) 3.671 12.378 ( -5.303 -9.038 0.000) 10.479 12.378 ( -5.303 9.038 0.000) 10.479 13.015 ( -3.133 -4.882 0.000) 5.801 13.015 ( -3.133 4.882 0.000) 5.801 16.546 ( 17.334 -6.168 0.000) 18.399 16.546 ( 17.334 6.168 0.000) 18.399 16.835 ( 7.495 -7.462 0.000) 10.576 16.835 ( 7.495 7.462 0.000) 10.576 17.521 ( 2.357 -32.506 0.000) 32.592 17.521 ( 2.357 32.506 0.000) 32.592 18.825 ( -2.893 -8.897 0.000) 9.355 18.825 ( -2.893 8.897 0.000) 9.355 25.530 ( -2.492 -14.091 0.000) 14.310 25.530 ( -2.492 14.091 0.000) 14.310 27.401 ( -4.118 -12.221 0.000) 12.896 27.401 ( -4.118 12.221 0.000) 12.896 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 25.714 -13.841 0.000) 29.202 2.044 ( 25.714 13.841 0.000) 29.202 2.362 ( 30.110 -13.657 0.000) 33.063 2.362 ( 30.110 13.657 0.000) 33.063 3.267 ( 4.186 -20.231 0.000) 20.660 3.267 ( 4.186 20.231 0.000) 20.660 3.532 ( -8.706 -12.454 0.000) 15.196 3.532 ( -8.706 12.454 0.000) 15.196 4.019 ( -6.511 -4.758 0.000) 8.064 4.019 ( -6.511 4.758 0.000) 8.064 4.070 ( 3.943 -6.966 0.000) 8.005 4.070 ( 3.943 6.966 0.000) 8.005 4.482 ( 10.081 -14.754 0.000) 17.869 4.482 ( 10.081 14.754 0.000) 17.869 4.751 ( 5.732 -5.814 0.000) 8.165 4.751 ( 5.732 5.814 0.000) 8.165 5.201 ( 11.060 -12.541 0.000) 16.721 5.201 ( 11.060 12.541 0.000) 16.721 5.310 ( 8.301 -6.763 0.000) 10.707 5.310 ( 8.301 6.763 0.000) 10.707 5.760 ( 12.300 -2.550 0.000) 12.561 5.760 ( 12.300 2.550 0.000) 12.561 5.795 ( 13.219 -9.086 0.000) 16.041 5.795 ( 13.219 9.086 0.000) 16.041 6.227 ( 7.748 -20.576 0.000) 21.986 6.227 ( 7.748 20.576 0.000) 21.986 6.342 ( 5.020 -24.080 0.000) 24.598 6.342 ( 5.020 24.080 0.000) 24.598 7.321 ( 10.058 -8.730 0.000) 13.319 7.321 ( 10.058 8.730 0.000) 13.319 7.425 ( 0.117 -10.470 0.000) 10.470 7.425 ( 0.117 10.470 0.000) 10.470 8.131 ( 19.093 -13.501 0.000) 23.384 8.131 ( 19.093 13.501 0.000) 23.384 8.682 ( -5.299 -3.802 0.000) 6.522 8.682 ( -5.299 3.802 0.000) 6.522 8.986 ( 11.117 -5.698 0.000) 12.492 8.986 ( 11.117 5.698 0.000) 12.492 9.852 ( 19.522 -23.470 0.000) 30.528 9.852 ( 19.522 23.470 0.000) 30.528 11.614 ( -10.968 -21.042 0.000) 23.729 11.614 ( -10.968 21.042 0.000) 23.729 12.106 ( -11.038 -18.011 0.000) 21.125 12.106 ( -11.038 18.011 0.000) 21.125 12.296 ( -0.966 -9.212 0.000) 9.263 12.296 ( -0.966 9.212 0.000) 9.263 12.919 ( -6.319 -4.984 0.000) 8.048 12.919 ( -6.319 4.984 0.000) 8.048 16.963 ( 21.791 -1.371 0.000) 21.834 16.963 ( 21.791 1.371 0.000) 21.834 17.056 ( 14.337 -7.376 0.000) 16.123 17.056 ( 14.337 7.376 0.000) 16.123 17.582 ( 3.387 -31.840 0.000) 32.020 17.582 ( 3.387 31.840 0.000) 32.020 18.728 ( -7.094 -8.535 0.000) 11.099 18.728 ( -7.094 8.535 0.000) 11.099 25.542 ( 5.308 -15.362 0.000) 16.253 25.542 ( 5.308 15.362 0.000) 16.253 27.269 ( -9.325 -13.147 0.000) 16.119 27.269 ( -9.325 13.147 0.000) 16.119 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 25.095 -13.549 0.000) 28.519 2.568 ( 25.095 13.549 0.000) 28.519 2.891 ( 20.276 -12.165 0.000) 23.645 2.891 ( 20.276 12.165 0.000) 23.645 3.235 ( -4.849 -13.893 0.000) 14.715 3.235 ( -4.849 13.893 0.000) 14.715 3.358 ( -6.807 -9.386 0.000) 11.595 3.358 ( -6.807 9.386 0.000) 11.595 3.879 ( -6.879 -5.146 0.000) 8.591 3.879 ( -6.879 5.146 0.000) 8.591 4.107 ( -2.372 -3.467 0.000) 4.201 4.107 ( -2.372 3.467 0.000) 4.201 4.691 ( 9.885 -7.842 0.000) 12.618 4.691 ( 9.885 7.842 0.000) 12.618 4.848 ( 3.361 -8.027 0.000) 8.702 4.848 ( 3.361 8.027 0.000) 8.702 5.417 ( 12.459 -18.826 0.000) 22.575 5.417 ( 12.459 18.826 0.000) 22.575 5.549 ( 14.438 -5.365 0.000) 15.402 5.549 ( 14.438 5.365 0.000) 15.402 5.981 ( 9.362 -3.236 0.000) 9.906 5.981 ( 9.362 3.236 0.000) 9.906 6.032 ( 8.435 -8.882 0.000) 12.249 6.032 ( 8.435 8.882 0.000) 12.249 6.332 ( 2.189 -12.252 0.000) 12.446 6.332 ( 2.189 12.252 0.000) 12.446 6.409 ( 4.066 -15.442 0.000) 15.968 6.409 ( 4.066 15.442 0.000) 15.968 7.381 ( -4.286 -8.555 0.000) 9.569 7.381 ( -4.286 8.555 0.000) 9.569 7.396 ( -3.249 -6.256 0.000) 7.049 7.396 ( -3.249 6.256 0.000) 7.049 8.408 ( 6.866 -23.524 0.000) 24.505 8.408 ( 6.866 23.524 0.000) 24.505 8.583 ( -4.087 -5.999 0.000) 7.258 8.583 ( -4.087 5.999 0.000) 7.258 9.485 ( 36.185 -13.436 0.000) 38.599 9.485 ( 36.185 13.436 0.000) 38.599 10.315 ( 25.694 -27.179 0.000) 37.402 10.315 ( 25.694 27.179 0.000) 37.402 11.327 ( -17.839 -23.629 0.000) 29.607 11.327 ( -17.839 23.629 0.000) 29.607 11.802 ( -18.527 -21.792 0.000) 28.603 11.802 ( -18.527 21.792 0.000) 28.603 12.325 ( 3.420 -10.252 0.000) 10.807 12.325 ( 3.420 10.252 0.000) 10.807 12.766 ( -8.659 -5.362 0.000) 10.185 12.766 ( -8.659 5.362 0.000) 10.185 17.347 ( 15.418 -8.741 0.000) 17.724 17.347 ( 15.418 8.741 0.000) 17.724 17.396 ( 18.712 -8.017 0.000) 20.357 17.396 ( 18.712 8.017 0.000) 20.357 17.646 ( 2.917 -29.208 0.000) 29.353 17.646 ( 2.917 29.208 0.000) 29.353 18.530 ( -12.736 -7.816 0.000) 14.943 18.530 ( -12.736 7.816 0.000) 14.943 25.770 ( 17.015 -14.311 0.000) 22.233 25.770 ( 17.015 14.311 0.000) 22.233 27.019 ( -15.682 -13.814 0.000) 20.899 27.019 ( -15.682 13.814 0.000) 20.899 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 17.186 -11.971 0.000) 20.944 3.008 ( 17.186 11.971 0.000) 20.944 3.093 ( 1.772 -10.770 0.000) 10.915 3.093 ( 1.772 10.770 0.000) 10.915 3.149 ( -2.056 -10.571 0.000) 10.769 3.149 ( -2.056 10.571 0.000) 10.769 3.278 ( -5.281 -9.846 0.000) 11.173 3.278 ( -5.281 9.846 0.000) 11.173 3.822 ( 3.752 -9.216 0.000) 9.950 3.822 ( 3.752 9.216 0.000) 9.950 3.981 ( -8.978 -6.335 0.000) 10.988 3.981 ( -8.978 6.335 0.000) 10.988 4.836 ( 4.372 -6.713 0.000) 8.011 4.836 ( 4.372 6.713 0.000) 8.011 4.879 ( -0.232 -7.478 0.000) 7.482 4.879 ( -0.232 7.478 0.000) 7.482 5.689 ( 12.227 -19.854 0.000) 23.317 5.689 ( 12.227 19.854 0.000) 23.317 5.781 ( 5.016 -12.920 0.000) 13.860 5.781 ( 5.016 12.920 0.000) 13.860 6.116 ( 1.413 -6.267 0.000) 6.424 6.116 ( 1.413 6.267 0.000) 6.424 6.122 ( 2.841 -1.214 0.000) 3.090 6.122 ( 2.841 1.214 0.000) 3.090 6.363 ( 4.522 -8.542 0.000) 9.665 6.363 ( 4.522 8.542 0.000) 9.665 6.473 ( -1.212 -3.813 0.000) 4.001 6.473 ( -1.212 3.813 0.000) 4.001 7.266 ( -3.322 -6.506 0.000) 7.305 7.266 ( -3.322 6.506 0.000) 7.305 7.303 ( -5.125 -9.248 0.000) 10.574 7.303 ( -5.125 9.248 0.000) 10.574 8.483 ( 2.110 -20.093 0.000) 20.204 8.483 ( 2.110 20.093 0.000) 20.204 8.522 ( -2.194 -13.095 0.000) 13.277 8.522 ( -2.194 13.095 0.000) 13.277 10.239 ( 35.721 -21.436 0.000) 41.660 10.239 ( 35.721 21.436 0.000) 41.660 10.805 ( 4.030 -15.168 0.000) 15.695 10.805 ( 4.030 15.168 0.000) 15.695 10.928 ( -3.972 -13.453 0.000) 14.027 10.928 ( -3.972 13.453 0.000) 14.027 11.375 ( -23.641 -23.917 0.000) 33.629 11.375 ( -23.641 23.917 0.000) 33.629 12.428 ( 6.693 -8.026 0.000) 10.451 12.428 ( 6.693 8.026 0.000) 10.451 12.586 ( -8.826 -6.187 0.000) 10.778 12.586 ( -8.826 6.187 0.000) 10.778 17.570 ( 6.964 -18.960 0.000) 20.198 17.570 ( 6.964 18.960 0.000) 20.198 17.638 ( 0.444 -25.077 0.000) 25.081 17.638 ( 0.444 25.077 0.000) 25.081 17.830 ( 19.276 -8.280 0.000) 20.979 17.830 ( 19.276 8.280 0.000) 20.979 18.218 ( -18.032 -7.217 0.000) 19.422 18.218 ( -18.032 7.217 0.000) 19.422 26.186 ( 22.999 -13.560 0.000) 26.699 26.186 ( 22.999 13.560 0.000) 26.699 26.642 ( -21.430 -13.771 0.000) 25.473 26.642 ( -21.430 13.771 0.000) 25.473 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 0.000 29.018) 29.018 0.770 ( 0.000 0.000 36.315) 36.315 1.161 ( 0.000 0.000 55.444) 55.444 1.915 ( 0.000 0.000 1.220) 1.220 1.998 ( 0.000 0.000 13.158) 13.158 2.135 ( 0.000 0.000 26.785) 26.785 3.011 ( 0.000 0.000 27.817) 27.817 3.229 ( 0.000 0.000 11.837) 11.837 3.260 ( 0.000 0.000 18.124) 18.124 3.367 ( 0.000 0.000 20.380) 20.380 3.726 ( 0.000 0.000 4.028) 4.028 4.056 ( 0.000 0.000 0.390) 0.390 4.066 ( 0.000 0.000 4.750) 4.750 4.258 ( 0.000 0.000 -0.665) 0.665 4.454 ( 0.000 0.000 -5.809) 5.809 4.648 ( 0.000 0.000 2.211) 2.211 4.773 ( 0.000 0.000 22.802) 22.802 4.945 ( 0.000 0.000 15.192) 15.192 5.003 ( 0.000 0.000 -9.301) 9.301 5.016 ( 0.000 0.000 1.241) 1.241 5.256 ( 0.000 0.000 -14.006) 14.006 5.352 ( 0.000 0.000 17.361) 17.361 5.725 ( 0.000 0.000 -17.253) 17.253 5.751 ( 0.000 0.000 5.296) 5.296 5.941 ( 0.000 0.000 13.441) 13.441 6.032 ( 0.000 0.000 31.017) 31.017 6.121 ( 0.000 0.000 0.087) 0.087 6.562 ( 0.000 0.000 11.478) 11.478 6.849 ( 0.000 0.000 1.650) 1.650 7.001 ( 0.000 0.000 1.557) 1.557 7.131 ( 0.000 0.000 -0.135) 0.135 7.601 ( 0.000 0.000 -5.752) 5.752 7.830 ( 0.000 0.000 7.685) 7.685 8.839 ( 0.000 0.000 -3.536) 3.536 8.883 ( 0.000 0.000 -5.093) 5.093 9.021 ( 0.000 0.000 4.475) 4.475 9.344 ( 0.000 0.000 -4.405) 4.405 9.593 ( 0.000 0.000 26.600) 26.600 9.691 ( 0.000 0.000 -11.203) 11.203 10.111 ( 0.000 0.000 -10.363) 10.363 10.464 ( 0.000 0.000 -8.444) 8.444 11.360 ( 0.000 0.000 -6.271) 6.271 12.356 ( 0.000 0.000 -5.234) 5.234 12.426 ( 0.000 0.000 3.067) 3.067 12.712 ( 0.000 0.000 4.518) 4.518 12.808 ( 0.000 0.000 -5.108) 5.108 13.039 ( 0.000 0.000 -0.160) 0.160 13.248 ( 0.000 0.000 -1.987) 1.987 15.772 ( 0.000 0.000 6.465) 6.465 16.124 ( 0.000 0.000 8.221) 8.221 16.667 ( 0.000 0.000 16.037) 16.037 16.681 ( 0.000 0.000 8.544) 8.544 16.834 ( 0.000 0.000 -2.534) 2.534 18.443 ( 0.000 0.000 -3.572) 3.572 18.569 ( 0.000 0.000 2.642) 2.642 19.161 ( 0.000 0.000 -5.095) 5.095 25.030 ( 0.000 0.000 7.187) 7.187 26.119 ( 0.000 0.000 3.340) 3.340 27.071 ( 0.000 0.000 -5.660) 5.660 28.070 ( 0.000 0.000 -2.787) 2.787 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 17.345 0.000 16.632) 24.031 1.189 ( 26.190 0.000 21.679) 33.998 1.551 ( 37.846 0.000 35.435) 51.845 1.926 ( 0.501 0.000 0.338) 0.605 2.009 ( 7.314 0.000 5.586) 9.203 2.456 ( 23.897 0.000 22.599) 32.890 3.081 ( 13.253 0.000 10.173) 16.707 3.206 ( 2.235 0.000 7.804) 8.118 3.501 ( 20.590 0.000 16.613) 26.457 3.508 ( 14.436 0.000 13.325) 19.646 3.969 ( 7.644 0.000 1.014) 7.711 4.108 ( 10.573 0.000 3.342) 11.089 4.188 ( 9.235 0.000 -1.934) 9.436 4.292 ( -6.488 0.000 -0.569) 6.513 4.376 ( 9.449 0.000 2.006) 9.659 4.539 ( -1.255 0.000 2.984) 3.238 4.632 ( -2.124 0.000 1.057) 2.372 4.898 ( -9.907 0.000 4.381) 10.833 5.110 ( 13.825 0.000 10.817) 17.554 5.157 ( 1.293 0.000 -8.139) 8.241 5.313 ( 4.475 0.000 -13.233) 13.969 5.449 ( 8.122 0.000 12.397) 14.821 5.775 ( 5.534 0.000 9.846) 11.295 5.791 ( 2.816 0.000 -10.756) 11.119 5.922 ( -1.320 0.000 11.875) 11.948 6.124 ( 0.272 0.000 0.129) 0.300 6.429 ( 32.497 0.000 25.957) 41.591 6.636 ( 9.761 0.000 8.048) 12.651 6.877 ( 4.031 0.000 3.677) 5.456 7.061 ( -3.631 0.000 0.499) 3.665 7.128 ( 8.326 0.000 -3.454) 9.014 7.486 ( -1.714 0.000 1.785) 2.475 8.336 ( 21.402 0.000 -14.370) 25.778 8.787 ( -5.338 0.000 -5.576) 7.719 8.836 ( 1.582 0.000 -4.075) 4.371 9.073 ( -2.738 0.000 1.433) 3.091 9.210 ( -5.682 0.000 -4.192) 7.060 9.471 ( -9.943 0.000 23.396) 25.421 9.727 ( 1.563 0.000 -3.454) 3.791 10.182 ( 0.489 0.000 -13.403) 13.412 10.504 ( 7.580 0.000 -8.169) 11.144 11.251 ( -9.148 0.000 -2.422) 9.463 12.027 ( -15.960 0.000 23.461) 28.375 12.351 ( -0.844 0.000 -5.826) 5.887 12.758 ( -5.121 0.000 -4.738) 6.977 12.765 ( 1.384 0.000 2.413) 2.782 12.994 ( -4.339 0.000 0.116) 4.341 13.221 ( -2.686 0.000 -1.172) 2.931 15.816 ( 4.513 0.000 5.072) 6.789 16.209 ( 7.537 0.000 -0.744) 7.574 16.806 ( -1.451 0.000 -0.886) 1.700 16.828 ( 14.793 0.000 20.142) 24.991 16.859 ( 11.373 0.000 -7.233) 13.478 18.349 ( -7.130 0.000 -8.043) 10.748 18.651 ( 5.581 0.000 5.289) 7.689 19.112 ( -5.514 0.000 -7.158) 9.036 25.206 ( 11.295 0.000 11.822) 16.350 26.152 ( 3.534 0.000 3.820) 5.204 27.012 ( -5.722 0.000 -5.716) 8.088 28.043 ( -2.894 0.000 -3.026) 4.187 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 16.459 0.000 6.162) 17.575 1.697 ( 25.120 0.000 5.396) 25.693 1.928 ( -0.322 0.000 0.512) 0.605 2.293 ( 19.467 0.000 -7.159) 20.742 2.399 ( 41.095 0.000 17.410) 44.630 2.996 ( 29.117 0.000 12.068) 31.518 3.225 ( 7.241 0.000 5.701) 9.216 3.528 ( 17.561 0.000 -4.745) 18.191 3.904 ( 20.602 0.000 -6.768) 21.685 3.912 ( 13.330 0.000 9.163) 16.175 3.976 ( 0.310 0.000 3.828) 3.841 4.098 ( -1.650 0.000 1.721) 2.384 4.319 ( 4.849 0.000 6.959) 8.482 4.463 ( 2.742 0.000 3.373) 4.347 4.550 ( 5.422 0.000 1.860) 5.732 4.586 ( -0.342 0.000 -4.009) 4.024 4.695 ( -7.345 0.000 2.555) 7.776 4.865 ( 35.113 0.000 -17.042) 39.031 5.172 ( 1.252 0.000 -2.883) 3.143 5.389 ( 3.357 0.000 -14.003) 14.399 5.392 ( 12.782 0.000 6.637) 14.403 5.644 ( 11.212 0.000 7.668) 13.583 5.808 ( -0.784 0.000 -6.093) 6.143 5.908 ( 0.418 0.000 9.939) 9.948 5.959 ( 10.406 0.000 7.090) 12.592 6.149 ( 3.116 0.000 -1.072) 3.295 6.693 ( 5.388 0.000 5.859) 7.960 6.940 ( -5.885 0.000 -4.633) 7.490 6.966 ( 1.848 0.000 1.345) 2.285 7.327 ( 38.433 0.000 18.054) 42.462 7.389 ( 16.201 0.000 -1.033) 16.234 7.527 ( 6.914 0.000 6.173) 9.269 8.499 ( -0.885 0.000 0.809) 1.199 8.624 ( -17.511 0.000 -8.615) 19.516 8.920 ( 0.487 0.000 -7.993) 8.008 8.956 ( 5.786 0.000 -1.941) 6.103 9.276 ( -5.669 0.000 13.749) 14.872 9.350 ( 18.271 0.000 9.856) 20.760 9.713 ( -2.843 0.000 5.939) 6.585 10.000 ( -16.247 0.000 -19.456) 25.348 10.815 ( 19.818 0.000 -8.848) 21.703 11.047 ( -11.196 0.000 -0.947) 11.236 11.909 ( 1.622 0.000 17.333) 17.408 12.319 ( -2.661 0.000 -8.236) 8.655 12.591 ( -11.905 0.000 -3.981) 12.553 12.781 ( 0.190 0.000 3.396) 3.402 12.873 ( -7.248 0.000 1.645) 7.432 13.141 ( -5.124 0.000 0.700) 5.172 15.947 ( 8.011 0.000 2.979) 8.547 16.408 ( 12.535 0.000 -14.908) 19.477 16.729 ( -4.988 0.000 -2.163) 5.437 17.101 ( 13.541 0.000 -14.555) 19.880 17.284 ( 27.918 0.000 25.806) 38.018 18.174 ( -10.546 0.000 -15.371) 18.641 18.752 ( 3.880 0.000 8.086) 8.968 18.935 ( -12.009 0.000 -12.785) 17.541 25.431 ( 11.722 0.000 15.337) 19.304 26.279 ( 9.563 0.000 4.570) 10.599 26.847 ( -10.549 0.000 -5.516) 11.905 27.941 ( -7.582 0.000 -3.345) 8.287 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 12.012 0.000 2.706) 12.313 1.906 ( -2.048 0.000 0.705) 2.166 2.207 ( 25.724 0.000 -9.648) 27.474 2.735 ( 23.337 0.000 -8.403) 24.804 3.069 ( 22.498 0.000 7.617) 23.753 3.433 ( 11.978 0.000 8.065) 14.441 3.598 ( 29.878 0.000 -3.549) 30.088 3.676 ( -2.945 0.000 -10.037) 10.460 3.908 ( -2.889 0.000 -7.793) 8.311 3.978 ( -12.256 0.000 -2.453) 12.499 4.014 ( -0.974 0.000 -2.483) 2.667 4.214 ( 9.654 0.000 7.314) 12.111 4.498 ( 2.798 0.000 2.013) 3.447 4.524 ( 1.514 0.000 -7.870) 8.014 4.600 ( 11.596 0.000 -4.075) 12.291 4.715 ( 7.593 0.000 0.580) 7.615 4.745 ( 13.364 0.000 7.211) 15.185 5.189 ( 0.590 0.000 7.127) 7.151 5.301 ( 2.266 0.000 -7.357) 7.698 5.548 ( 9.394 0.000 -9.958) 13.689 5.613 ( 9.985 0.000 6.892) 12.133 5.815 ( 3.400 0.000 -12.845) 13.288 5.859 ( 7.935 0.000 1.778) 8.132 5.927 ( 0.522 0.000 2.319) 2.377 6.118 ( 6.368 0.000 -7.894) 10.142 6.321 ( 14.419 0.000 -9.772) 17.418 6.797 ( 3.976 0.000 9.867) 10.638 6.871 ( -4.985 0.000 -4.495) 6.712 6.937 ( 4.291 0.000 0.121) 4.292 7.694 ( 11.232 0.000 -8.358) 14.000 7.813 ( 19.908 0.000 13.855) 24.255 7.844 ( 13.734 0.000 20.735) 24.871 8.192 ( -20.760 0.000 -8.913) 22.592 8.458 ( -0.438 0.000 6.171) 6.186 8.821 ( -15.126 0.000 15.773) 21.854 8.990 ( 4.378 0.000 5.940) 7.379 9.427 ( 14.108 0.000 -4.097) 14.691 9.560 ( -7.863 0.000 11.205) 13.689 9.605 ( -19.786 0.000 -21.527) 29.238 10.066 ( 44.341 0.000 3.794) 44.503 10.738 ( -17.981 0.000 0.481) 17.987 11.260 ( 21.808 0.000 -11.462) 24.637 12.029 ( 9.291 0.000 12.188) 15.326 12.227 ( -7.054 0.000 -12.042) 13.956 12.264 ( -21.037 0.000 -3.243) 21.286 12.681 ( -9.460 0.000 5.263) 10.826 12.811 ( 0.757 0.000 3.927) 3.999 13.024 ( -6.168 0.000 2.779) 6.765 16.117 ( 8.564 0.000 1.537) 8.701 16.602 ( -6.133 0.000 -2.877) 6.774 16.730 ( 17.864 0.000 -22.946) 29.080 17.417 ( 17.949 0.000 -20.373) 27.152 17.844 ( 14.977 0.000 11.386) 18.813 17.942 ( -1.719 0.000 -11.457) 11.586 18.635 ( -17.608 0.000 -19.640) 26.377 18.784 ( -1.294 0.000 10.159) 10.241 25.689 ( 13.933 0.000 11.151) 17.846 26.547 ( 17.117 0.000 4.135) 17.609 26.598 ( -13.895 0.000 -4.165) 14.506 27.725 ( -14.151 0.000 -2.857) 14.436 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 8.063 0.000 1.638) 8.228 1.839 ( -4.742 0.000 1.082) 4.864 2.725 ( 25.337 0.000 -15.958) 29.944 3.164 ( -14.515 0.000 -8.036) 16.591 3.200 ( 22.588 0.000 -3.184) 22.812 3.565 ( 3.925 0.000 -2.562) 4.687 3.624 ( 0.128 0.000 -3.659) 3.661 3.632 ( -20.090 0.000 0.957) 20.113 3.934 ( 2.164 0.000 -1.244) 2.496 3.966 ( -2.142 0.000 -3.332) 3.961 4.144 ( 22.560 0.000 -14.295) 26.708 4.429 ( 11.776 0.000 4.117) 12.475 4.449 ( -8.127 0.000 -12.831) 15.188 4.569 ( 0.340 0.000 3.169) 3.187 4.742 ( 5.928 0.000 -4.708) 7.570 4.850 ( -1.371 0.000 -10.664) 10.752 4.955 ( 6.975 0.000 5.745) 9.036 5.101 ( -8.092 0.000 8.770) 11.933 5.388 ( 8.386 0.000 6.187) 10.421 5.550 ( -5.835 0.000 9.357) 11.027 5.814 ( 8.779 0.000 -2.040) 9.013 5.893 ( 2.566 0.000 -14.732) 14.954 5.913 ( -1.394 0.000 -9.276) 9.380 5.921 ( -0.756 0.000 -9.349) 9.380 6.345 ( 17.402 0.000 -1.902) 17.506 6.537 ( 7.063 0.000 -9.357) 11.723 6.696 ( -9.249 0.000 -4.756) 10.401 6.716 ( -14.285 0.000 4.592) 15.005 7.334 ( 27.368 0.000 -7.230) 28.307 7.751 ( -9.723 0.000 -9.167) 13.363 7.933 ( -2.243 0.000 4.619) 5.135 7.960 ( -1.520 0.000 21.218) 21.272 8.149 ( 14.290 0.000 15.663) 21.202 8.465 ( -16.343 0.000 15.962) 22.844 8.645 ( 17.646 0.000 -5.399) 18.453 9.099 ( -24.459 0.000 -15.377) 28.891 9.128 ( 9.715 0.000 13.048) 16.268 9.354 ( -11.668 0.000 14.813) 18.856 9.859 ( 22.538 0.000 -2.512) 22.677 10.323 ( -22.677 0.000 0.247) 22.678 10.977 ( 42.864 0.000 -0.783) 42.871 11.678 ( 19.327 0.000 -13.354) 23.492 11.733 ( -32.020 0.000 -2.403) 32.110 12.016 ( -13.851 0.000 -14.053) 19.731 12.248 ( 11.565 0.000 9.271) 14.822 12.476 ( -10.842 0.000 8.016) 13.484 12.841 ( 2.347 0.000 4.530) 5.102 12.911 ( -4.700 0.000 4.281) 6.357 16.288 ( 8.450 0.000 0.020) 8.450 16.454 ( -8.002 0.000 -1.190) 8.090 17.136 ( 21.350 0.000 -27.422) 34.753 17.555 ( -19.597 0.000 -26.139) 32.669 17.813 ( 21.058 0.000 -24.307) 32.160 18.242 ( -21.012 0.000 -24.177) 32.032 18.377 ( 20.180 0.000 16.081) 25.804 18.678 ( -9.769 0.000 12.517) 15.878 25.986 ( 15.464 0.000 4.716) 16.167 26.300 ( -15.529 0.000 -0.799) 15.549 26.946 ( 21.684 0.000 1.911) 21.768 27.376 ( -20.139 0.000 -0.946) 20.161 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.000 18.158 10.821) 21.138 1.010 ( 0.000 17.913 27.874) 33.133 1.527 ( 0.000 27.413 37.232) 46.235 1.946 ( 0.000 -3.719 13.758) 14.252 2.095 ( 0.000 -4.112 26.279) 26.598 2.608 ( 0.000 51.827 -3.242) 51.928 2.996 ( 0.000 11.997 15.764) 19.810 3.098 ( 0.000 6.930 21.980) 23.047 3.459 ( 0.000 17.048 14.904) 22.644 3.656 ( 0.000 2.240 19.908) 20.033 3.945 ( 0.000 8.200 -4.768) 9.485 4.065 ( 0.000 3.577 5.955) 6.947 4.182 ( 0.000 -6.795 0.028) 6.795 4.354 ( 0.000 20.837 3.200) 21.081 4.545 ( 0.000 3.928 -1.426) 4.179 4.566 ( 0.000 -1.873 5.637) 5.940 4.744 ( 0.000 -1.661 21.262) 21.327 4.910 ( 0.000 -5.342 -1.741) 5.619 5.008 ( 0.000 -3.720 -2.995) 4.776 5.174 ( 0.000 5.994 -9.403) 11.151 5.193 ( 0.000 3.029 1.812) 3.529 5.403 ( 0.000 2.797 8.773) 9.208 5.652 ( 0.000 -2.896 1.076) 3.090 5.864 ( 0.000 0.826 -4.149) 4.230 5.915 ( 0.000 -1.057 19.049) 19.079 6.040 ( 0.000 -0.067 33.725) 33.725 6.119 ( 0.000 0.840 -0.736) 1.117 6.628 ( 0.000 3.845 3.944) 5.508 6.907 ( 0.000 8.628 6.808) 10.990 6.980 ( 0.000 -3.628 2.413) 4.357 7.118 ( 0.000 -0.455 -3.743) 3.771 7.565 ( 0.000 -3.183 -6.327) 7.082 7.944 ( 0.000 9.891 -0.865) 9.929 8.395 ( 0.000 -26.111 -1.285) 26.143 8.914 ( 0.000 -12.594 0.970) 12.631 9.027 ( 0.000 0.353 4.464) 4.478 9.135 ( 0.000 -10.173 4.518) 11.131 9.574 ( 0.000 -10.219 -9.371) 13.865 9.605 ( 0.000 -3.049 17.811) 18.070 9.972 ( 0.000 -12.527 -8.444) 15.107 10.777 ( 0.000 23.149 -10.219) 25.305 11.520 ( 0.000 13.815 -7.180) 15.569 12.224 ( 0.000 -7.377 12.666) 14.657 12.289 ( 0.000 -6.272 -5.449) 8.308 12.662 ( 0.000 -4.506 4.814) 6.594 12.802 ( 0.000 -1.603 -6.706) 6.895 12.994 ( 0.000 -3.147 1.585) 3.524 13.217 ( 0.000 -2.791 -1.829) 3.337 16.038 ( 0.000 23.473 6.363) 24.320 16.173 ( 0.000 4.354 8.185) 9.271 16.646 ( 0.000 -2.603 8.583) 8.969 16.724 ( 0.000 4.609 15.055) 15.745 16.983 ( 0.000 5.184 -0.428) 5.202 18.461 ( 0.000 -10.185 2.601) 10.512 18.494 ( 0.000 4.638 -3.615) 5.880 19.119 ( 0.000 -4.084 -4.805) 6.306 25.069 ( 0.000 5.141 -0.046) 5.141 26.037 ( 0.000 -7.468 2.357) 7.831 27.097 ( 0.000 2.638 -5.399) 6.009 27.961 ( 0.000 -9.707 -2.997) 10.159 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 12.047 11.874 9.104) 19.209 1.327 ( 21.513 10.518 18.187) 30.070 1.890 ( 32.345 24.676 25.290) 47.903 1.981 ( 8.140 -2.614 6.347) 10.648 2.392 ( 22.115 -3.025 20.945) 30.609 2.556 ( -3.778 44.454 -2.563) 44.688 3.194 ( 17.255 13.787 7.618) 23.363 3.341 ( 20.026 6.519 16.133) 26.530 3.389 ( -1.094 15.459 7.512) 17.222 3.837 ( 11.644 1.442 15.202) 19.203 4.057 ( 3.815 -0.876 -1.360) 4.144 4.090 ( 3.486 0.622 5.133) 6.235 4.322 ( 10.433 1.596 -2.461) 10.837 4.369 ( 2.916 7.324 -0.064) 7.883 4.547 ( 0.954 14.413 -1.277) 14.501 4.652 ( -1.624 9.957 11.180) 15.059 4.707 ( 4.198 5.776 -4.503) 8.442 4.922 ( 0.665 2.683 7.348) 7.851 5.011 ( 2.443 -4.744 1.214) 5.472 5.128 ( 6.474 -1.077 -0.601) 6.590 5.333 ( 7.326 2.232 -9.314) 12.058 5.465 ( 5.193 1.903 5.399) 7.729 5.664 ( 3.450 -2.956 6.534) 7.958 5.861 ( -0.065 -0.414 1.926) 1.971 5.936 ( 1.959 0.485 16.050) 16.176 6.097 ( 2.685 -2.102 4.915) 5.982 6.419 ( 30.532 -0.355 22.465) 37.908 6.669 ( 5.033 4.048 3.391) 7.295 6.918 ( 2.544 1.302 2.142) 3.572 7.056 ( -0.960 0.822 0.057) 1.265 7.179 ( 11.840 4.861 -3.987) 13.406 7.518 ( -1.090 1.673 -0.626) 2.093 8.216 ( 14.627 -7.054 -8.278) 18.228 8.398 ( 2.954 -24.212 -0.231) 24.392 8.793 ( -7.529 -9.750 -3.202) 12.728 9.018 ( -6.769 -8.765 -0.322) 11.079 9.171 ( 6.968 1.315 7.751) 10.505 9.411 ( -11.375 -6.703 13.971) 19.223 9.606 ( -0.080 -10.108 -2.346) 10.377 10.181 ( 15.258 -7.242 -7.571) 18.508 10.707 ( -6.379 20.018 -11.092) 23.758 11.430 ( -8.123 15.135 -4.854) 17.849 12.058 ( -9.025 3.075 15.890) 18.531 12.272 ( -1.968 -7.183 -5.928) 9.519 12.697 ( 1.821 -5.582 3.656) 6.916 12.749 ( -5.248 -2.114 -6.738) 8.798 12.954 ( -3.905 -2.516 2.248) 5.160 13.190 ( -2.627 -2.724 -1.006) 3.916 16.065 ( 3.794 20.966 4.109) 21.699 16.276 ( 8.203 7.117 0.428) 10.868 16.746 ( 6.954 -3.336 1.046) 7.784 16.870 ( 14.817 3.704 20.316) 25.417 17.009 ( 2.580 7.217 -3.193) 8.302 18.359 ( -6.592 -1.154 -7.144) 9.789 18.582 ( 4.853 -4.663 4.348) 8.013 19.066 ( -5.482 -4.168 -6.931) 9.771 25.153 ( 7.621 -0.664 8.229) 11.235 26.064 ( 3.027 -8.000 2.971) 9.055 27.040 ( -5.569 2.798 -5.494) 8.308 27.932 ( -3.076 -9.896 -3.237) 10.857 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 19.485 8.192 0.287) 21.139 1.797 ( 24.337 8.494 3.501) 26.013 2.274 ( 19.987 -1.718 -6.419) 21.063 2.410 ( -6.479 34.952 -4.935) 35.888 2.617 ( 35.016 15.577 15.909) 41.495 2.943 ( 28.430 -4.585 11.746) 31.101 3.371 ( 4.242 13.240 4.660) 14.663 3.600 ( 12.655 6.863 -3.496) 14.814 3.737 ( 16.761 -1.408 5.935) 17.837 3.971 ( 1.328 -0.364 6.023) 6.178 4.067 ( -2.151 -2.442 2.360) 4.020 4.135 ( 2.024 0.073 6.417) 6.729 4.323 ( -2.804 -1.670 -0.333) 3.280 4.523 ( 8.472 14.085 0.282) 16.439 4.611 ( -2.018 6.358 0.535) 6.693 4.697 ( 0.877 4.082 1.232) 4.354 4.849 ( 15.952 5.841 -8.036) 18.793 5.003 ( 9.881 1.067 -10.001) 14.099 5.196 ( 15.611 10.287 -0.452) 18.702 5.324 ( 8.239 2.626 6.256) 10.673 5.477 ( 6.356 3.238 -6.743) 9.816 5.595 ( 8.838 -1.493 -0.112) 8.964 5.783 ( 5.837 -1.559 2.561) 6.562 5.874 ( 3.459 0.725 7.628) 8.407 6.037 ( 7.401 2.150 15.651) 17.445 6.181 ( 6.081 2.944 1.827) 6.998 6.692 ( 1.294 0.826 0.903) 1.781 6.946 ( 2.181 -2.518 1.738) 3.757 7.002 ( -1.504 3.704 -7.350) 8.367 7.140 ( 22.653 -4.225 10.685) 25.401 7.550 ( 13.231 5.095 0.795) 14.201 7.600 ( 19.943 5.559 6.799) 21.791 8.226 ( -8.466 -18.781 -2.010) 20.699 8.583 ( -1.172 -11.030 -0.245) 11.094 8.712 ( 9.443 -9.288 -8.474) 15.723 8.934 ( 0.844 -3.243 1.873) 3.839 9.224 ( -4.271 -4.050 10.184) 11.762 9.374 ( 15.818 1.020 10.184) 18.840 9.579 ( -2.598 -10.266 3.616) 11.190 10.309 ( -10.354 20.696 -16.483) 28.411 10.719 ( 15.084 -7.717 -8.495) 18.954 11.225 ( -12.447 15.628 -1.848) 20.064 11.979 ( 1.018 6.108 13.933) 15.247 12.203 ( -5.370 -9.864 -7.634) 13.580 12.587 ( -11.069 -2.622 -7.276) 13.504 12.722 ( 0.767 -5.237 4.029) 6.652 12.844 ( -6.725 -1.211 4.162) 8.001 13.112 ( -5.101 -2.617 0.911) 5.805 16.189 ( 7.803 21.109 1.976) 22.592 16.473 ( 11.935 6.275 -13.450) 19.045 16.825 ( -0.053 5.356 -1.761) 5.638 17.127 ( 10.286 3.442 -11.299) 15.663 17.303 ( 26.541 1.589 24.663) 36.266 18.195 ( -10.005 1.240 -15.217) 18.253 18.667 ( 3.282 -7.383 7.855) 11.269 18.893 ( -11.739 -3.820 -12.544) 17.600 25.356 ( 12.387 -4.225 13.371) 18.710 26.178 ( 8.862 -9.151 4.096) 13.381 26.878 ( -10.457 3.079 -5.379) 12.156 27.826 ( -7.797 -10.297 -3.557) 13.396 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 15.784 11.437 -6.334) 20.496 2.181 ( 1.592 18.633 -7.446) 20.129 2.373 ( 15.273 15.307 -7.568) 22.910 2.726 ( 23.508 -0.896 -8.228) 24.922 3.170 ( 16.188 5.675 10.402) 20.062 3.447 ( 12.471 -2.950 3.746) 13.351 3.534 ( 18.514 -1.517 1.105) 18.609 3.676 ( -1.692 -1.069 -6.298) 6.608 3.855 ( -8.885 -6.971 -0.941) 11.332 3.947 ( -1.902 1.044 -1.262) 2.510 4.057 ( 1.289 1.503 -0.936) 2.191 4.181 ( 4.613 -1.309 7.390) 8.809 4.389 ( 9.264 0.783 -4.029) 10.133 4.508 ( -0.963 2.654 -0.457) 2.860 4.765 ( 7.388 8.778 -1.539) 11.576 4.782 ( 6.952 7.111 -0.238) 9.948 4.986 ( 4.575 4.797 -6.960) 9.612 5.267 ( 9.006 -1.308 -5.802) 10.792 5.400 ( 2.126 13.817 8.615) 16.421 5.506 ( 8.943 4.976 -3.630) 10.859 5.583 ( 5.548 -2.641 -8.697) 10.648 5.790 ( 8.621 2.018 -1.306) 8.950 5.915 ( 9.598 0.517 -0.446) 9.622 5.988 ( 3.624 5.093 2.391) 6.692 6.201 ( 5.534 6.910 -1.424) 8.966 6.336 ( 11.835 0.813 1.725) 11.988 6.700 ( 1.093 -4.890 4.056) 6.447 6.868 ( -8.130 -2.607 -0.383) 8.546 7.056 ( 7.570 8.542 -2.989) 11.798 7.493 ( 13.385 -9.465 1.203) 16.437 7.762 ( 5.886 -5.100 5.180) 9.353 7.884 ( 2.312 -3.917 9.250) 10.308 8.012 ( -6.905 -9.219 0.145) 11.520 8.604 ( 7.764 10.631 4.382) 13.874 8.751 ( -7.965 -7.309 11.618) 15.869 8.997 ( 4.988 -0.450 8.133) 9.551 9.412 ( 20.002 1.683 -4.845) 20.649 9.466 ( -6.752 -6.012 6.328) 11.035 9.913 ( -2.911 15.084 -14.788) 21.323 10.043 ( 24.532 4.666 0.728) 24.982 10.909 ( -19.195 15.035 0.300) 24.384 11.126 ( 22.122 -12.398 -11.269) 27.751 12.026 ( -13.259 -12.970 -7.420) 19.977 12.078 ( 7.895 4.369 10.728) 14.018 12.305 ( -16.554 -2.753 -9.561) 19.314 12.670 ( -8.074 0.022 6.614) 10.437 12.757 ( 0.617 -4.617 4.829) 6.709 12.993 ( -6.360 -2.735 3.060) 7.570 16.349 ( 7.823 20.790 1.450) 22.261 16.750 ( 3.383 10.189 -10.271) 14.858 16.793 ( 9.884 7.501 -14.642) 19.193 17.408 ( 17.040 -0.500 -18.813) 25.388 17.841 ( 20.005 -0.790 16.361) 25.855 17.962 ( -8.273 1.754 -17.423) 19.367 18.599 ( -17.218 -3.217 -19.102) 25.917 18.694 ( -1.171 -8.269 10.016) 13.041 25.641 ( 15.705 -3.035 10.270) 19.009 26.434 ( 16.481 -10.075 3.797) 19.686 26.629 ( -14.031 2.923 -4.033) 14.889 27.606 ( -14.264 -10.621 -3.058) 18.045 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 11.708 14.686 -9.925) 21.243 2.051 ( -9.030 18.534 -9.789) 22.823 2.817 ( 22.593 6.527 -10.299) 25.673 3.159 ( 7.908 -1.446 -1.022) 8.103 3.222 ( 1.118 1.716 -4.255) 4.723 3.529 ( -5.053 -5.595 0.692) 7.571 3.588 ( -4.526 -1.339 -1.681) 5.010 3.631 ( -6.856 -0.709 -0.377) 6.902 3.863 ( 6.643 -7.711 -1.060) 10.233 3.924 ( -0.261 -4.684 0.639) 4.734 4.130 ( 8.299 -0.046 -7.442) 11.147 4.245 ( -0.733 -6.368 -0.677) 6.446 4.536 ( 5.693 3.802 -3.229) 7.569 4.587 ( 3.656 -1.187 -6.465) 7.522 4.853 ( 2.490 9.140 -4.291) 10.400 4.875 ( 0.877 4.856 -3.134) 5.846 5.095 ( 6.693 6.519 -1.645) 9.487 5.245 ( -6.853 6.080 1.122) 9.230 5.488 ( 3.642 12.380 6.558) 14.475 5.543 ( -1.651 4.488 4.740) 6.734 5.786 ( 12.061 -0.223 -14.656) 18.982 5.944 ( 5.137 5.211 -3.509) 8.115 5.970 ( -3.333 4.413 -6.238) 8.337 6.044 ( -1.128 6.657 -5.292) 8.579 6.319 ( 12.603 -1.833 -8.184) 15.139 6.536 ( 3.466 0.635 1.191) 3.719 6.664 ( -9.790 -2.595 -5.241) 11.404 6.712 ( -4.261 -2.065 6.018) 7.658 7.295 ( 16.935 -5.096 2.394) 17.846 7.606 ( -7.657 -13.316 -3.356) 15.723 7.726 ( 2.652 -10.713 12.610) 16.758 7.792 ( -7.191 -7.234 7.481) 12.650 8.189 ( 15.907 0.423 16.834) 23.165 8.490 ( -13.736 -1.203 17.539) 22.310 8.866 ( 13.931 15.801 -8.091) 22.566 9.084 ( -1.239 1.260 2.462) 3.030 9.331 ( -1.876 6.729 4.193) 8.148 9.522 ( -16.895 17.983 -5.916) 25.374 9.917 ( 26.597 8.176 -2.311) 27.922 10.453 ( -25.252 12.799 0.853) 28.323 10.894 ( 41.215 -7.595 -0.567) 41.913 11.562 ( 20.228 -10.955 -13.373) 26.609 11.608 ( -28.148 -11.068 -3.702) 30.472 11.954 ( -18.168 -6.960 -13.937) 23.932 12.273 ( 10.681 2.688 9.144) 14.315 12.485 ( -10.054 1.480 8.296) 13.118 12.794 ( 2.799 -4.288 5.079) 7.212 12.873 ( -5.171 -3.365 4.667) 7.737 16.503 ( 7.440 19.148 0.161) 20.544 16.646 ( -6.688 16.760 -0.998) 18.072 17.179 ( 20.927 3.778 -27.188) 34.517 17.589 ( -18.994 2.938 -26.144) 32.448 17.793 ( 20.282 -1.683 -23.175) 30.843 18.208 ( -18.961 -3.073 -21.674) 28.960 18.332 ( 16.766 -4.393 13.747) 22.122 18.599 ( -8.731 -7.368 12.190) 16.706 25.974 ( 17.108 -0.393 4.328) 17.652 26.315 ( -16.507 1.799 -0.972) 16.633 26.829 ( 21.471 -10.515 1.776) 23.973 27.257 ( -20.105 -10.700 -1.124) 22.802 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.000 20.239 9.715) 22.450 1.392 ( 0.000 16.255 23.460) 28.541 1.830 ( 0.000 -6.947 14.285) 15.885 1.945 ( 0.000 -7.863 26.268) 27.420 2.203 ( 0.000 33.063 10.622) 34.728 3.187 ( 0.000 -1.676 8.868) 9.024 3.436 ( 0.000 23.587 7.147) 24.646 3.656 ( 0.000 34.117 -11.508) 36.006 3.737 ( 0.000 5.204 11.835) 12.928 3.890 ( 0.000 14.039 5.053) 14.920 4.035 ( 0.000 2.885 5.023) 5.793 4.083 ( 0.000 5.530 5.890) 8.079 4.166 ( 0.000 5.083 -0.458) 5.104 4.389 ( 0.000 -9.964 13.876) 17.083 4.558 ( 0.000 -10.118 5.992) 11.759 4.728 ( 0.000 10.527 3.661) 11.145 4.762 ( 0.000 -5.784 8.238) 10.065 4.877 ( 0.000 13.347 -3.790) 13.875 4.914 ( 0.000 3.566 8.300) 9.033 5.255 ( 0.000 1.615 -7.637) 7.806 5.263 ( 0.000 -0.352 6.778) 6.787 5.510 ( 0.000 7.560 1.128) 7.644 5.601 ( 0.000 -2.980 7.237) 7.827 5.725 ( 0.000 -10.780 4.311) 11.610 5.959 ( 0.000 5.296 25.272) 25.821 6.053 ( 0.000 3.261 33.424) 33.583 6.158 ( 0.000 1.562 4.655) 4.910 6.727 ( 0.000 8.223 -8.660) 11.942 6.749 ( 0.000 -18.905 6.571) 20.014 7.145 ( 0.000 2.029 -12.409) 12.574 7.266 ( 0.000 23.015 15.610) 27.809 7.479 ( 0.000 -4.271 -5.964) 7.336 7.783 ( 0.000 -28.376 -0.513) 28.381 8.221 ( 0.000 10.595 1.362) 10.682 8.524 ( 0.000 -16.712 4.411) 17.285 8.959 ( 0.000 -5.028 11.572) 12.617 9.014 ( 0.000 -2.543 4.916) 5.535 9.276 ( 0.000 -17.508 -5.720) 18.419 9.502 ( 0.000 -4.674 8.831) 9.991 9.645 ( 0.000 -14.844 -4.637) 15.551 11.292 ( 0.000 23.444 -8.937) 25.090 11.878 ( 0.000 17.199 -8.544) 19.205 12.092 ( 0.000 -11.407 -5.720) 12.761 12.191 ( 0.000 2.370 6.721) 7.127 12.537 ( 0.000 -6.473 5.783) 8.681 12.674 ( 0.000 -10.438 -6.087) 12.083 12.976 ( 0.000 1.865 1.717) 2.535 13.138 ( 0.000 -4.263 -1.297) 4.456 16.295 ( 0.000 6.599 8.115) 10.460 16.562 ( 0.000 -4.403 8.206) 9.312 16.644 ( 0.000 24.724 10.053) 26.689 16.903 ( 0.000 16.801 9.312) 19.209 17.001 ( 0.000 -2.460 8.669) 9.012 18.121 ( 0.000 -21.891 2.744) 22.063 18.631 ( 0.000 7.855 -3.754) 8.705 18.992 ( 0.000 -7.455 -4.313) 8.613 25.251 ( 0.000 11.310 -3.762) 11.919 25.817 ( 0.000 -12.522 -0.025) 12.522 27.196 ( 0.000 6.927 -4.842) 8.451 27.693 ( 0.000 -14.212 -3.530) 14.644 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 8.614 28.095 9.901) 31.009 1.557 ( 17.619 10.167 11.055) 23.151 1.897 ( 9.886 -4.834 7.895) 13.544 2.217 ( 22.151 -8.720 20.643) 31.509 2.464 ( 22.946 25.410 11.007) 35.963 3.356 ( 0.821 12.512 0.134) 12.540 3.431 ( 4.284 5.861 0.267) 7.265 3.669 ( 6.484 23.002 -3.635) 24.174 3.757 ( 1.246 17.568 5.413) 18.425 3.930 ( -1.833 3.686 4.350) 5.989 4.005 ( 5.840 3.371 7.517) 10.098 4.150 ( 1.859 3.320 5.922) 7.039 4.330 ( -2.211 0.429 8.998) 9.276 4.399 ( 12.264 -0.449 -2.529) 12.530 4.589 ( 7.629 -9.113 0.301) 11.889 4.711 ( -1.745 -5.128 -3.366) 6.378 4.897 ( 1.688 10.140 -2.770) 10.646 4.965 ( 10.586 9.981 9.166) 17.196 5.048 ( 14.741 2.470 10.733) 18.401 5.193 ( -0.047 2.811 -1.198) 3.056 5.394 ( 8.819 2.274 -5.457) 10.617 5.569 ( 5.995 8.401 3.687) 10.959 5.653 ( 3.766 -3.791 3.678) 6.487 5.810 ( 8.993 -2.981 12.307) 15.531 5.956 ( -0.461 6.838 16.448) 17.819 6.097 ( 5.613 4.077 23.919) 24.905 6.414 ( 23.784 -1.075 15.841) 28.597 6.728 ( -0.463 -8.451 7.032) 11.004 6.850 ( 10.927 0.728 -6.603) 12.788 7.145 ( -0.129 3.277 -8.194) 8.826 7.357 ( 8.173 11.770 5.111) 15.213 7.510 ( 5.273 -0.603 -0.781) 5.364 7.834 ( 3.663 -21.972 -1.894) 22.356 8.214 ( -1.309 -3.303 3.473) 4.968 8.501 ( 0.288 -6.792 -3.700) 7.739 8.877 ( -4.157 -5.229 4.830) 8.243 9.065 ( -1.085 -9.723 9.999) 13.989 9.275 ( 1.915 -14.714 -0.709) 14.855 9.401 ( -1.634 1.978 4.593) 5.261 9.900 ( 17.214 -16.140 -1.651) 23.655 11.208 ( -8.354 24.044 -10.484) 27.529 11.809 ( -6.611 17.830 -7.239) 20.348 12.052 ( -4.012 -12.076 -6.164) 14.139 12.158 ( -2.234 5.176 7.308) 9.230 12.551 ( 0.990 -7.573 5.571) 9.453 12.608 ( -6.344 -10.705 -6.157) 13.883 12.951 ( -2.593 2.273 2.380) 4.190 13.114 ( -2.443 -4.146 -0.464) 4.834 16.365 ( 6.844 7.933 -0.141) 10.478 16.655 ( 7.925 -5.223 1.307) 9.580 16.740 ( 7.478 29.814 8.009) 31.764 16.991 ( 10.319 9.620 14.982) 20.579 17.084 ( 7.396 0.170 8.064) 10.944 18.127 ( 0.263 -20.450 0.656) 20.462 18.604 ( -2.576 6.108 -3.559) 7.524 18.941 ( -5.225 -7.301 -6.439) 11.049 25.254 ( 1.494 9.594 1.768) 9.869 25.828 ( 1.573 -13.458 1.236) 13.606 27.144 ( -5.109 7.242 -5.026) 10.189 27.657 ( -3.614 -14.561 -3.790) 15.474 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 19.345 28.516 2.822) 34.574 2.002 ( 24.433 9.994 -3.167) 26.587 2.224 ( 21.354 -2.549 -3.860) 21.849 2.723 ( 25.758 -10.266 10.869) 29.782 2.920 ( 15.719 13.415 7.689) 22.049 3.142 ( -8.386 23.310 -6.526) 25.617 3.576 ( 0.449 -11.895 -3.313) 12.356 3.690 ( -6.381 7.247 -3.278) 10.197 3.826 ( 3.344 8.965 1.354) 9.664 3.912 ( 1.829 1.552 6.960) 7.362 4.115 ( 3.486 3.703 12.292) 13.303 4.187 ( 0.821 5.868 3.416) 6.839 4.309 ( 4.293 0.492 3.597) 5.623 4.625 ( 3.129 -2.024 -3.362) 5.019 4.680 ( 7.441 0.163 -8.531) 11.321 4.781 ( 5.011 -10.910 -4.318) 12.759 4.941 ( 3.557 12.607 1.422) 13.176 5.076 ( 6.220 12.958 -0.187) 14.375 5.319 ( 10.855 3.166 0.753) 11.332 5.379 ( 14.004 -2.135 -1.085) 14.207 5.592 ( 9.562 4.732 -10.769) 15.159 5.736 ( 8.604 10.158 8.403) 15.742 5.761 ( 8.613 -0.626 3.756) 9.417 5.989 ( 4.478 8.356 10.077) 13.836 6.036 ( 11.841 1.764 18.008) 21.625 6.274 ( 10.500 6.606 15.549) 19.891 6.689 ( -2.427 -4.620 2.714) 5.882 6.798 ( 6.085 -9.879 10.697) 15.781 7.124 ( 8.068 7.142 -10.628) 15.135 7.183 ( 9.705 5.517 4.147) 11.909 7.573 ( 7.902 -7.522 6.334) 12.615 7.726 ( 14.662 10.625 -2.952) 18.346 7.865 ( -2.224 -12.710 0.987) 12.940 8.272 ( 14.450 -14.087 -1.669) 20.250 8.606 ( 8.060 -0.217 -4.101) 9.046 8.823 ( -0.660 -5.219 3.211) 6.163 9.078 ( 9.258 -8.817 5.680) 13.990 9.294 ( -0.353 -15.286 3.771) 15.748 9.506 ( 11.428 11.851 7.853) 18.241 10.282 ( 20.662 -18.684 -5.817) 28.458 10.963 ( -15.708 25.468 -13.949) 33.015 11.620 ( -12.274 18.828 -4.617) 22.945 11.925 ( -8.901 -15.091 -7.753) 19.160 12.139 ( 0.908 7.522 7.806) 10.878 12.425 ( -11.738 -11.251 -5.855) 17.282 12.571 ( 1.057 -8.485 5.458) 10.144 12.869 ( -5.561 3.091 4.136) 7.589 13.039 ( -5.024 -3.971 1.534) 6.585 16.565 ( 12.901 9.058 -12.135) 19.893 16.833 ( 8.618 4.793 -5.769) 11.424 16.874 ( 6.551 24.153 0.135) 25.026 17.251 ( 8.730 6.167 3.489) 11.243 17.341 ( 22.297 1.674 20.991) 30.669 18.106 ( -3.273 -14.224 -7.025) 16.198 18.538 ( -3.650 -0.594 -0.658) 3.756 18.779 ( -10.907 -6.564 -11.683) 17.278 25.361 ( 9.669 5.683 8.092) 13.829 25.911 ( 7.483 -14.965 3.482) 17.090 26.991 ( -10.094 7.869 -5.124) 13.786 27.539 ( -8.438 -15.325 -4.111) 17.971 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 17.523 30.795 -6.171) 35.965 2.481 ( 21.305 10.698 -9.756) 25.759 2.683 ( 21.321 -1.131 -7.634) 22.674 2.812 ( -7.316 18.461 -11.498) 22.946 3.203 ( 14.950 -5.198 6.288) 17.031 3.286 ( 11.136 -5.814 4.176) 13.238 3.479 ( -6.088 -9.818 -1.368) 11.633 3.572 ( -4.877 -7.796 -1.027) 9.253 3.784 ( -4.676 3.124 2.483) 6.147 3.955 ( -0.697 -0.669 1.024) 1.408 4.107 ( -5.653 2.628 3.785) 7.293 4.163 ( -0.276 0.062 5.456) 5.463 4.498 ( 11.221 5.974 -4.672) 13.543 4.625 ( -0.393 6.199 -1.684) 6.436 4.839 ( 5.807 -3.170 -7.047) 9.666 4.858 ( 3.885 -9.914 -6.452) 12.450 5.038 ( 7.005 15.264 0.717) 16.810 5.297 ( 12.490 4.320 -7.743) 15.318 5.538 ( 11.390 4.072 -2.207) 12.295 5.597 ( 6.941 2.957 -6.670) 10.071 5.783 ( 9.565 3.331 -9.110) 13.623 5.891 ( 8.064 10.895 7.398) 15.442 5.953 ( 8.356 4.827 1.853) 9.826 6.089 ( 3.192 4.789 4.165) 7.105 6.287 ( 13.671 -1.676 17.855) 22.550 6.407 ( 0.625 8.302 2.827) 8.793 6.631 ( -2.535 -5.488 0.831) 6.103 6.762 ( -6.796 -5.288 7.326) 11.305 7.182 ( 1.754 4.551 4.611) 6.711 7.429 ( 9.141 1.325 -3.451) 9.860 7.533 ( -6.566 -9.014 3.970) 11.838 7.767 ( -6.470 -12.158 8.697) 16.289 7.997 ( 12.977 11.733 5.230) 18.260 8.583 ( -0.059 -7.388 2.405) 7.770 8.768 ( 13.226 -2.716 4.540) 14.245 8.874 ( 5.897 -6.832 4.459) 10.066 9.310 ( 6.765 -2.070 4.208) 8.231 9.583 ( 32.120 6.810 -6.728) 33.516 9.902 ( 30.429 1.957 5.522) 30.987 10.564 ( -16.958 27.735 -17.221) 36.788 10.753 ( 19.517 -20.210 -10.182) 29.884 11.304 ( -19.419 19.564 -2.355) 27.666 11.683 ( -15.526 -18.442 -8.725) 25.637 12.110 ( -15.503 -12.702 -7.652) 21.454 12.225 ( 3.425 7.164 8.633) 11.729 12.601 ( 1.985 -7.910 5.727) 9.965 12.732 ( -7.822 3.486 6.299) 10.631 12.917 ( -6.858 -4.176 3.782) 8.875 16.866 ( 15.480 13.051 -15.629) 25.578 16.969 ( 7.070 23.525 -5.727) 25.223 17.024 ( 6.318 8.275 -7.900) 13.069 17.447 ( 11.939 6.029 -6.670) 14.946 17.790 ( 19.881 -4.281 17.158) 26.607 17.969 ( -9.806 -4.318 -17.826) 20.798 18.466 ( -3.690 -10.266 5.638) 12.280 18.506 ( -16.058 -5.227 -17.225) 24.122 25.636 ( 17.055 3.894 7.664) 19.099 26.147 ( 16.028 -15.615 3.820) 22.701 26.741 ( -14.760 7.990 -4.134) 17.286 27.309 ( -14.585 -15.922 -3.555) 21.883 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 11.039 29.687 -14.777) 34.951 2.541 ( -8.925 24.913 -16.411) 31.139 2.948 ( 17.344 5.305 -5.748) 19.026 3.111 ( 14.980 -2.671 -0.923) 15.244 3.238 ( -6.385 -0.317 0.539) 6.416 3.341 ( -4.119 -10.302 1.539) 11.202 3.508 ( 0.017 -13.572 0.091) 13.572 3.525 ( 0.557 -7.380 1.494) 7.550 3.729 ( 2.685 0.277 2.324) 3.562 3.855 ( -7.711 0.029 0.471) 7.725 4.050 ( 1.584 -7.190 -1.692) 7.554 4.123 ( -3.827 -6.774 -1.149) 7.865 4.627 ( 1.919 6.153 -5.598) 8.537 4.642 ( 1.256 4.559 -6.084) 7.706 4.908 ( 1.926 -3.237 -6.591) 7.592 4.919 ( 1.116 -6.002 -5.900) 8.490 5.260 ( 13.006 14.872 -0.579) 19.765 5.430 ( -1.467 11.331 -2.801) 11.764 5.692 ( 5.735 6.458 -8.104) 11.843 5.762 ( 4.357 1.135 -11.380) 12.238 5.898 ( 5.367 13.025 -4.546) 14.803 6.052 ( -3.617 3.054 -1.500) 4.966 6.088 ( 6.817 9.489 0.620) 11.701 6.145 ( 10.549 1.377 1.274) 10.714 6.318 ( -4.731 3.837 -7.020) 9.295 6.506 ( -11.428 -7.049 -3.147) 13.791 6.559 ( 6.651 -9.369 9.216) 14.729 6.637 ( -0.796 -2.410 9.724) 10.050 7.214 ( 3.478 2.473 9.707) 10.603 7.362 ( -8.858 -3.412 4.705) 10.594 7.588 ( 4.753 -6.022 12.896) 15.006 7.663 ( -3.165 -5.857 12.797) 14.425 8.253 ( 12.181 7.382 10.978) 17.982 8.468 ( -8.794 1.121 11.551) 14.561 8.902 ( 3.617 -13.284 6.287) 15.135 8.952 ( -0.606 -14.501 4.128) 15.089 9.619 ( 21.906 24.607 -9.130) 34.187 10.085 ( -20.560 29.638 -16.862) 39.818 10.239 ( 28.971 18.953 -5.344) 35.029 10.643 ( 31.947 -11.847 1.126) 34.092 10.846 ( -23.232 18.434 -2.499) 29.762 11.223 ( 23.874 -19.856 -12.466) 33.461 11.281 ( -24.711 -18.756 -6.313) 31.658 11.705 ( -22.914 -15.696 -10.719) 29.771 12.367 ( 8.734 5.911 8.310) 13.427 12.550 ( -8.912 4.330 7.288) 12.300 12.671 ( 3.963 -6.778 6.346) 10.096 12.779 ( -6.476 -5.202 5.532) 9.980 17.029 ( 3.921 27.424 -0.867) 27.716 17.075 ( -0.188 19.982 -3.715) 20.325 17.280 ( 19.269 5.128 -26.006) 32.770 17.649 ( -13.865 1.320 -24.384) 28.081 17.769 ( 14.418 0.775 -17.503) 22.690 18.114 ( -6.060 -6.323 -6.823) 11.102 18.189 ( 0.692 -7.938 -0.239) 7.972 18.366 ( -6.923 -13.714 9.814) 18.230 26.014 ( 19.788 5.062 3.239) 20.680 26.402 ( -17.922 6.781 -1.395) 19.213 26.534 ( 20.684 -15.621 1.665) 25.973 26.957 ( -20.032 -16.027 -1.488) 25.698 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 0.000 -7.239 14.620) 16.314 1.592 ( 0.000 7.239 14.620) 16.314 1.740 ( 0.000 -7.988 24.068) 25.359 1.740 ( 0.000 7.988 24.068) 25.359 2.883 ( 0.000 -26.307 0.652) 26.316 2.883 ( 0.000 26.307 0.652) 26.316 3.829 ( 0.000 -5.512 12.273) 13.454 3.829 ( 0.000 5.512 12.273) 13.454 3.891 ( 0.000 -12.459 -11.511) 16.963 3.891 ( 0.000 12.459 -11.511) 16.963 4.183 ( 0.000 -1.334 2.731) 3.040 4.183 ( 0.000 1.334 2.731) 3.040 4.223 ( 0.000 -2.532 7.676) 8.083 4.223 ( 0.000 2.532 7.676) 8.083 4.562 ( 0.000 -8.912 2.424) 9.235 4.562 ( 0.000 8.912 2.424) 9.235 4.927 ( 0.000 -4.202 16.582) 17.106 4.927 ( 0.000 4.202 16.582) 17.106 5.198 ( 0.000 -9.360 -1.161) 9.432 5.198 ( 0.000 9.360 -1.161) 9.432 5.352 ( 0.000 -12.629 -2.202) 12.819 5.352 ( 0.000 12.629 -2.202) 12.819 5.642 ( 0.000 -2.248 13.290) 13.479 5.642 ( 0.000 2.248 13.290) 13.479 6.148 ( 0.000 -3.106 16.304) 16.597 6.148 ( 0.000 3.106 16.304) 16.597 6.237 ( 0.000 -23.402 17.243) 29.068 6.237 ( 0.000 23.402 17.243) 29.068 7.031 ( 0.000 -16.766 -16.794) 23.730 7.031 ( 0.000 16.766 -16.794) 23.730 7.403 ( 0.000 -1.664 -1.135) 2.014 7.403 ( 0.000 1.664 -1.135) 2.014 7.847 ( 0.000 -28.440 18.573) 33.968 7.847 ( 0.000 28.440 18.573) 33.968 8.769 ( 0.000 -21.778 -2.632) 21.937 8.769 ( 0.000 21.778 -2.632) 21.937 8.975 ( 0.000 -6.013 5.086) 7.876 8.975 ( 0.000 6.013 5.086) 7.876 9.461 ( 0.000 -2.054 1.863) 2.773 9.461 ( 0.000 2.054 1.863) 2.773 11.745 ( 0.000 -18.430 -7.803) 20.014 11.745 ( 0.000 18.430 -7.803) 20.014 12.210 ( 0.000 -6.420 -4.319) 7.738 12.210 ( 0.000 6.420 -4.319) 7.738 12.459 ( 0.000 -3.751 3.478) 5.115 12.459 ( 0.000 3.751 3.478) 5.115 13.046 ( 0.000 -4.110 -0.215) 4.115 13.046 ( 0.000 4.110 -0.215) 4.115 16.439 ( 0.000 -6.519 8.087) 10.387 16.439 ( 0.000 6.519 8.087) 10.387 16.905 ( 0.000 -6.357 13.058) 14.523 16.905 ( 0.000 6.357 13.058) 14.523 17.531 ( 0.000 -32.265 3.254) 32.429 17.531 ( 0.000 32.265 3.254) 32.429 18.814 ( 0.000 -8.839 -3.986) 9.697 18.814 ( 0.000 8.839 -3.986) 9.697 25.527 ( 0.000 -13.871 -2.627) 14.118 25.527 ( 0.000 13.871 -2.627) 14.118 27.401 ( 0.000 -12.133 -4.199) 12.839 27.401 ( 0.000 12.133 -4.199) 12.839 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 11.870 -5.175 9.949) 16.330 1.721 ( 11.870 5.175 9.949) 16.330 1.941 ( 18.851 -15.466 16.455) 29.416 1.941 ( 18.851 15.466 16.455) 29.416 3.034 ( 12.723 -24.898 0.409) 27.964 3.034 ( 12.723 24.898 0.409) 27.964 3.762 ( -8.610 -11.678 1.038) 14.546 3.762 ( -8.610 11.678 1.038) 14.546 3.953 ( 3.474 -5.229 -3.600) 7.237 3.953 ( 3.474 5.229 -3.600) 7.237 4.203 ( 2.346 -3.617 4.822) 6.468 4.203 ( 2.346 3.617 4.822) 6.468 4.289 ( 4.721 -5.812 3.194) 8.140 4.289 ( 4.721 5.812 3.194) 8.140 4.609 ( 4.385 -6.256 0.955) 7.699 4.609 ( 4.385 6.256 0.955) 7.699 5.006 ( 8.347 -1.710 8.183) 11.814 5.006 ( 8.347 1.710 8.183) 11.814 5.217 ( 2.674 -3.896 -0.474) 4.749 5.217 ( 2.674 3.896 -0.474) 4.749 5.470 ( 10.149 -7.939 -1.192) 12.940 5.470 ( 10.149 7.939 -1.192) 12.940 5.735 ( 8.023 -4.899 14.011) 16.872 5.735 ( 8.023 4.899 14.011) 16.872 6.242 ( 7.804 -6.158 12.990) 16.357 6.242 ( 7.804 6.158 12.990) 16.357 6.356 ( 10.796 -6.944 19.197) 23.093 6.356 ( 10.796 6.944 19.197) 23.093 7.019 ( 3.426 -11.423 -9.529) 15.265 7.019 ( 3.426 11.423 -9.529) 15.265 7.508 ( 7.945 -7.999 0.688) 11.295 7.508 ( 7.945 7.999 0.688) 11.295 7.828 ( -0.514 -22.723 7.242) 23.855 7.828 ( -0.514 22.723 7.242) 23.855 8.751 ( -1.889 -14.845 -0.377) 14.970 8.751 ( -1.889 14.845 -0.377) 14.970 8.940 ( -1.109 -3.705 2.601) 4.660 8.940 ( -1.109 3.705 2.601) 4.660 9.583 ( 10.596 -12.362 3.288) 16.610 9.583 ( 10.596 12.362 3.288) 16.610 11.680 ( -6.476 -19.405 -8.974) 22.339 11.680 ( -6.476 19.405 -8.974) 22.339 12.180 ( -3.275 -9.753 -5.146) 11.503 12.180 ( -3.275 9.753 -5.146) 11.503 12.424 ( -2.884 -0.828 5.143) 5.954 12.424 ( -2.884 0.828 5.143) 5.954 13.023 ( -2.289 -4.084 0.597) 4.720 13.023 ( -2.289 4.084 0.597) 4.720 16.524 ( 7.820 -6.935 0.735) 10.478 16.524 ( 7.820 6.935 0.735) 10.478 17.029 ( 11.774 -4.700 15.220) 19.808 17.029 ( 11.774 4.700 15.220) 19.808 17.551 ( 1.868 -31.902 2.778) 32.077 17.551 ( 1.868 31.902 2.778) 32.077 18.768 ( -4.579 -8.408 -5.655) 11.120 18.768 ( -4.579 8.408 -5.655) 11.120 25.521 ( 0.241 -14.357 0.062) 14.359 25.521 ( 0.241 14.357 0.062) 14.359 27.357 ( -4.382 -12.538 -4.450) 14.008 27.357 ( -4.382 12.538 -4.450) 14.008 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 22.901 -7.284 0.732) 24.043 2.075 ( 22.901 7.284 0.732) 24.043 2.394 ( 23.526 -19.344 3.776) 30.691 2.394 ( 23.526 19.344 3.776) 30.691 3.236 ( 4.497 -16.717 0.684) 17.325 3.236 ( 4.497 16.717 0.684) 17.325 3.540 ( -11.980 -14.138 -4.118) 18.983 3.540 ( -11.980 14.138 -4.118) 18.983 3.976 ( -1.225 -1.739 0.579) 2.205 3.976 ( -1.225 1.739 0.579) 2.205 4.212 ( -0.668 -5.020 8.125) 9.574 4.212 ( -0.668 5.020 8.125) 9.574 4.429 ( 8.898 -11.916 -4.668) 15.587 4.429 ( 8.898 11.916 -4.668) 15.587 4.692 ( 3.746 -0.694 -1.571) 4.121 4.692 ( 3.746 0.694 -1.571) 4.121 5.173 ( 6.396 -7.412 -1.546) 9.911 5.173 ( 6.396 7.412 -1.546) 9.911 5.342 ( 9.912 -2.055 -0.321) 10.128 5.342 ( 9.912 2.055 -0.321) 10.128 5.702 ( 11.609 -4.768 -1.236) 12.611 5.702 ( 11.609 4.768 -1.236) 12.611 5.925 ( 10.534 -6.456 12.302) 17.435 5.925 ( 10.534 6.456 12.302) 17.435 6.360 ( 2.056 -15.045 5.327) 16.092 6.360 ( 2.056 15.045 5.327) 16.092 6.550 ( 7.872 -9.790 17.467) 21.516 6.550 ( 7.872 9.790 17.467) 21.516 7.248 ( 13.110 -3.249 0.942) 13.539 7.248 ( 13.110 3.249 0.942) 13.539 7.563 ( -3.421 -11.615 8.489) 14.788 7.563 ( -3.421 11.615 8.489) 14.788 8.003 ( 19.336 -12.212 -10.784) 25.284 8.003 ( 19.336 12.212 -10.784) 25.284 8.718 ( -0.497 -7.016 4.693) 8.455 8.718 ( -0.497 7.016 4.693) 8.455 9.010 ( 10.447 -6.934 1.468) 12.624 9.010 ( 10.447 6.934 1.468) 12.624 9.850 ( 16.024 -19.453 0.784) 25.215 9.850 ( 16.024 19.453 0.784) 25.215 11.487 ( -12.653 -22.148 -11.744) 28.081 11.487 ( -12.653 22.148 -11.744) 28.081 12.049 ( -10.390 -16.529 -5.441) 20.267 12.049 ( -10.390 16.529 -5.441) 20.267 12.382 ( -0.532 -8.309 7.318) 11.084 12.382 ( -0.532 8.309 7.318) 11.084 12.950 ( -5.063 -4.156 2.565) 7.034 12.950 ( -5.063 4.156 2.565) 7.034 16.730 ( 12.437 -6.726 -11.064) 17.953 16.730 ( 12.437 6.726 -11.064) 17.953 17.327 ( 16.226 -1.039 14.584) 21.841 17.327 ( 16.226 1.039 14.584) 21.841 17.597 ( 2.417 -29.922 1.310) 30.048 17.597 ( 2.417 29.922 1.310) 30.048 18.629 ( -9.231 -6.825 -9.369) 14.818 18.629 ( -9.231 6.825 -9.369) 14.818 25.585 ( 7.153 -14.180 4.297) 16.453 25.585 ( 7.153 14.180 4.297) 16.453 27.221 ( -9.337 -13.408 -4.716) 17.006 27.221 ( -9.337 13.408 -4.716) 17.006 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 25.634 -8.439 -1.819) 27.049 2.581 ( 25.634 8.439 -1.819) 27.049 2.796 ( 14.583 -21.477 -9.285) 27.570 2.796 ( 14.583 21.477 -9.285) 27.570 3.203 ( -6.456 -11.554 -1.906) 13.372 3.203 ( -6.456 11.554 -1.906) 13.372 3.367 ( -3.093 -7.808 0.963) 8.453 3.367 ( -3.093 7.808 0.963) 8.453 3.896 ( -5.794 -4.746 1.951) 7.740 3.896 ( -5.794 4.746 1.951) 7.740 4.158 ( -6.046 -1.597 3.919) 7.380 4.158 ( -6.046 1.597 3.919) 7.380 4.616 ( 8.715 -6.665 -6.782) 12.898 4.616 ( 8.715 6.665 -6.782) 12.898 4.765 ( 3.061 -4.183 -5.230) 7.363 4.765 ( 3.061 4.183 -5.230) 7.363 5.325 ( 10.254 -6.911 -5.381) 13.485 5.325 ( 10.254 6.911 -5.381) 13.485 5.564 ( 11.008 -1.745 -2.706) 11.469 5.564 ( 11.008 1.745 -2.706) 11.469 5.905 ( 8.455 -6.879 -3.387) 11.414 5.905 ( 8.455 6.879 -3.387) 11.414 6.131 ( 9.313 -6.156 10.716) 15.474 6.131 ( 9.313 6.156 10.716) 15.474 6.359 ( -1.371 -12.405 1.251) 12.543 6.359 ( -1.371 12.405 1.251) 12.543 6.631 ( -1.669 -9.342 11.395) 14.829 6.631 ( -1.669 9.342 11.395) 14.829 7.357 ( 0.415 -9.358 7.597) 12.061 7.357 ( 0.415 9.358 7.597) 12.061 7.522 ( -0.186 -8.498 6.770) 10.866 7.522 ( -0.186 8.498 6.770) 10.866 8.342 ( 11.274 -16.921 -3.744) 20.674 8.342 ( 11.274 16.921 -3.744) 20.674 8.707 ( -1.834 -4.438 9.017) 10.216 8.707 ( -1.834 4.438 9.017) 10.216 9.471 ( 33.548 -11.464 -1.590) 35.489 9.471 ( 33.548 11.464 -1.590) 35.489 10.239 ( 22.849 -23.293 -5.456) 33.082 10.239 ( 22.849 23.293 -5.456) 33.082 11.173 ( -18.535 -25.456 -14.146) 34.521 11.173 ( -18.535 25.456 -14.146) 34.521 11.759 ( -18.378 -18.628 -4.224) 26.507 11.759 ( -18.378 18.628 -4.224) 26.507 12.411 ( 3.389 -9.231 7.504) 12.369 12.411 ( 3.389 9.231 7.504) 12.369 12.822 ( -7.480 -4.525 4.776) 9.962 12.822 ( -7.480 4.525 4.776) 9.962 17.015 ( 15.613 -4.597 -18.942) 24.974 17.015 ( 15.613 4.597 -18.942) 24.974 17.587 ( 4.321 -14.601 1.413) 15.292 17.587 ( 4.321 14.601 1.413) 15.292 17.671 ( 9.038 -3.215 6.102) 11.369 17.671 ( 9.038 3.215 6.102) 11.369 18.402 ( -13.075 -3.249 -11.459) 17.687 18.402 ( -13.075 3.249 -11.459) 17.687 25.824 ( 16.337 -13.145 4.983) 21.552 25.824 ( 16.337 13.145 4.983) 21.552 26.978 ( -14.901 -13.954 -4.005) 20.803 26.978 ( -14.901 13.954 -4.005) 20.803 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 3.751 -18.637 -12.182) 22.579 2.958 ( 3.751 18.637 -12.182) 22.579 2.990 ( 6.104 -13.174 -6.726) 16.001 2.990 ( 6.104 13.174 -6.726) 16.001 3.131 ( 8.065 -12.155 -0.476) 14.595 3.131 ( 8.065 12.155 -0.476) 14.595 3.341 ( -4.570 -7.538 5.907) 10.612 3.341 ( -4.570 7.538 5.907) 10.612 3.826 ( 1.922 -6.548 0.819) 6.873 3.826 ( 1.922 6.548 0.819) 6.873 3.978 ( -10.433 -4.994 -0.455) 11.576 3.978 ( -10.433 4.994 -0.455) 11.576 4.749 ( 4.349 -5.942 -7.704) 10.657 4.749 ( 4.349 5.942 -7.704) 10.657 4.795 ( -0.307 -5.859 -7.109) 9.217 4.795 ( -0.307 5.859 -7.109) 9.217 5.568 ( 11.834 -7.981 -7.628) 16.184 5.568 ( 11.834 7.981 -7.628) 16.184 5.702 ( 0.327 -3.189 -6.796) 7.514 5.702 ( 0.327 3.189 -6.796) 7.514 6.069 ( 9.107 -5.136 -6.497) 12.309 6.069 ( 9.107 5.136 -6.497) 12.309 6.257 ( -6.191 -12.586 -1.563) 14.113 6.257 ( -6.191 12.586 -1.563) 14.113 6.322 ( 7.008 -10.248 7.818) 14.671 6.322 ( 7.008 10.248 7.818) 14.671 6.503 ( -8.950 -8.453 6.713) 14.022 6.503 ( -8.950 8.453 6.713) 14.022 7.402 ( 4.163 -10.624 15.248) 19.045 7.402 ( 4.163 10.624 15.248) 19.045 7.488 ( -3.468 -9.906 11.479) 15.554 7.488 ( -3.468 9.906 11.479) 15.554 8.512 ( 6.970 -11.003 4.241) 13.698 8.512 ( 6.970 11.003 4.241) 13.698 8.635 ( -5.088 -4.744 9.231) 11.559 8.635 ( -5.088 4.744 9.231) 11.559 10.160 ( 32.065 -22.274 -8.152) 39.884 10.160 ( 32.065 22.274 -8.152) 39.884 10.695 ( -5.834 -7.105 -11.173) 14.469 10.695 ( -5.834 7.105 -11.173) 14.469 10.804 ( 9.059 -2.111 -9.471) 13.275 10.804 ( 9.059 2.112 -9.471) 13.275 11.317 ( -25.304 -19.534 -4.763) 32.320 11.317 ( -25.304 19.534 -4.763) 32.320 12.512 ( 6.479 -7.296 7.312) 12.193 12.512 ( 6.479 7.296 7.312) 12.193 12.662 ( -8.096 -5.445 6.476) 11.710 12.662 ( -8.096 5.445 6.476) 11.710 17.328 ( 14.447 -1.953 -20.018) 24.764 17.328 ( 14.447 1.953 -20.018) 24.764 17.547 ( -6.554 -15.119 -11.138) 19.889 17.547 ( -6.554 15.119 -11.138) 19.889 17.890 ( 10.907 -11.241 3.687) 16.091 17.890 ( 10.907 11.241 3.687) 16.091 18.129 ( -13.248 -4.280 -6.477) 15.355 18.129 ( -13.248 4.280 -6.477) 15.355 26.210 ( 20.996 -13.001 2.069) 24.782 26.210 ( 20.996 13.001 2.069) 24.782 26.627 ( -19.703 -13.667 -1.616) 24.033 26.627 ( -19.703 13.667 -1.616) 24.033 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.000 0.000 19.957) 19.957 1.484 ( 0.000 0.000 34.177) 34.177 1.922 ( 0.000 0.000 -0.213) 0.213 2.210 ( 0.000 0.000 46.499) 46.499 2.354 ( 0.000 0.000 20.161) 20.161 2.807 ( 0.000 0.000 36.983) 36.983 3.401 ( 0.000 0.000 13.560) 13.560 3.429 ( 0.000 0.000 5.108) 5.108 3.748 ( 0.000 0.000 20.295) 20.295 3.804 ( 0.000 0.000 11.607) 11.607 3.908 ( 0.000 0.000 13.998) 13.998 4.128 ( 0.000 0.000 13.920) 13.920 4.241 ( 0.000 0.000 13.166) 13.166 4.270 ( 0.000 0.000 1.435) 1.435 4.339 ( 0.000 0.000 -4.022) 4.022 4.672 ( 0.000 0.000 1.694) 1.694 4.741 ( 0.000 0.000 -15.124) 15.124 5.047 ( 0.000 0.000 -3.237) 3.237 5.083 ( 0.000 0.000 6.895) 6.895 5.190 ( 0.000 0.000 6.947) 6.947 5.370 ( 0.000 0.000 -17.213) 17.213 5.510 ( 0.000 0.000 39.267) 39.267 5.631 ( 0.000 0.000 14.140) 14.140 5.894 ( 0.000 0.000 8.141) 8.141 6.058 ( 0.000 0.000 -5.443) 5.443 6.156 ( 0.000 0.000 11.330) 11.330 6.642 ( 0.000 0.000 14.027) 14.027 6.886 ( 0.000 0.000 0.756) 0.756 6.902 ( 0.000 0.000 -15.995) 15.995 7.085 ( 0.000 0.000 40.726) 40.726 7.115 ( 0.000 0.000 4.726) 4.726 7.466 ( 0.000 0.000 -5.606) 5.606 8.128 ( 0.000 0.000 19.591) 19.591 8.749 ( 0.000 0.000 -7.578) 7.578 8.949 ( 0.000 0.000 12.922) 12.922 9.207 ( 0.000 0.000 -9.058) 9.058 9.262 ( 0.000 0.000 16.831) 16.831 9.388 ( 0.000 0.000 -12.036) 12.036 9.844 ( 0.000 0.000 -14.902) 14.902 10.059 ( 0.000 0.000 4.981) 4.981 10.290 ( 0.000 0.000 5.029) 5.029 11.164 ( 0.000 0.000 -13.043) 13.043 12.203 ( 0.000 0.000 -9.785) 9.785 12.516 ( 0.000 0.000 5.622) 5.622 12.638 ( 0.000 0.000 -12.052) 12.052 12.819 ( 0.000 0.000 5.482) 5.482 13.035 ( 0.000 0.000 -0.257) 0.257 13.187 ( 0.000 0.000 -4.029) 4.029 15.936 ( 0.000 0.000 9.115) 9.115 16.372 ( 0.000 0.000 16.063) 16.063 16.760 ( 0.000 0.000 -4.733) 4.733 16.937 ( 0.000 0.000 16.441) 16.441 17.119 ( 0.000 0.000 26.906) 26.906 18.326 ( 0.000 0.000 -8.058) 8.058 18.627 ( 0.000 0.000 2.404) 2.404 19.000 ( 0.000 0.000 -10.933) 10.933 25.240 ( 0.000 0.000 13.199) 13.199 26.245 ( 0.000 0.000 9.616) 9.616 26.902 ( 0.000 0.000 -10.872) 10.872 27.970 ( 0.000 0.000 -7.519) 7.519 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 6.526 0.000 16.395) 17.646 1.649 ( 12.108 0.000 23.873) 26.768 1.928 ( 0.486 0.000 -0.213) 0.531 2.267 ( -6.298 0.000 18.691) 19.723 2.385 ( 17.761 0.000 42.077) 45.672 2.977 ( 13.960 0.000 27.684) 31.004 3.357 ( -5.764 0.000 5.704) 8.109 3.399 ( 1.407 0.000 12.621) 12.699 3.783 ( -1.917 0.000 8.577) 8.788 3.846 ( 13.057 0.000 13.227) 18.586 4.059 ( 3.313 0.000 5.218) 6.181 4.224 ( 10.296 0.000 7.626) 12.813 4.258 ( -6.607 0.000 2.618) 7.107 4.336 ( 11.225 0.000 15.894) 19.458 4.382 ( 8.396 0.000 -0.509) 8.411 4.532 ( -10.842 0.000 -2.935) 11.232 4.685 ( -3.676 0.000 -1.216) 3.872 5.024 ( -5.910 0.000 8.749) 10.558 5.059 ( 1.035 0.000 -3.249) 3.410 5.192 ( -3.532 0.000 1.149) 3.714 5.277 ( 7.739 0.000 3.162) 8.360 5.672 ( 3.858 0.000 10.546) 11.230 5.687 ( 6.903 0.000 9.639) 11.856 5.959 ( 2.022 0.000 7.407) 7.678 6.020 ( -3.147 0.000 -2.588) 4.075 6.143 ( -0.146 0.000 4.022) 4.025 6.827 ( 18.426 0.000 9.937) 20.935 6.835 ( -3.577 0.000 -14.152) 14.597 6.929 ( 0.682 0.000 -3.151) 3.224 7.191 ( 8.089 0.000 5.589) 9.832 7.192 ( 12.618 0.000 40.108) 42.046 7.483 ( 3.643 0.000 -1.763) 4.048 8.377 ( 19.172 0.000 14.514) 24.046 8.750 ( -1.848 0.000 0.226) 1.862 8.860 ( -18.147 0.000 -15.399) 23.800 8.933 ( -1.237 0.000 12.007) 12.070 9.351 ( 7.713 0.000 14.744) 16.640 9.637 ( 12.633 0.000 -3.057) 12.998 9.774 ( -7.272 0.000 -13.596) 15.419 9.927 ( -12.835 0.000 3.010) 13.183 10.383 ( 9.347 0.000 1.640) 9.490 11.109 ( -5.191 0.000 -10.916) 12.088 12.178 ( -2.485 0.000 -10.628) 10.915 12.371 ( -10.080 0.000 12.144) 15.783 12.597 ( -4.292 0.000 -11.594) 12.363 12.842 ( 1.502 0.000 4.620) 4.858 12.993 ( -3.784 0.000 -0.445) 3.810 13.185 ( -0.535 0.000 -2.358) 2.418 15.958 ( 2.238 0.000 8.448) 8.739 16.282 ( -6.212 0.000 8.236) 10.316 16.735 ( -2.387 0.000 -4.533) 5.123 16.893 ( -2.764 0.000 8.919) 9.338 17.346 ( 19.566 0.000 27.668) 33.888 18.148 ( -14.190 0.000 -11.695) 18.389 18.747 ( 8.264 0.000 3.661) 9.039 18.888 ( -11.254 0.000 -14.663) 18.485 25.433 ( 15.012 0.000 11.372) 18.833 26.287 ( 4.284 0.000 9.891) 10.779 26.845 ( -5.532 0.000 -10.583) 11.942 27.938 ( -3.231 0.000 -7.613) 8.270 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 9.764 0.000 9.626) 13.711 1.849 ( 7.776 0.000 9.566) 12.328 1.936 ( 0.086 0.000 0.047) 0.098 2.205 ( 2.665 0.000 1.333) 2.980 2.833 ( 21.995 0.000 23.127) 31.916 3.287 ( 15.684 0.000 15.298) 21.909 3.315 ( 2.281 0.000 -0.833) 2.428 3.533 ( 12.780 0.000 6.503) 14.339 3.766 ( 0.949 0.000 -5.773) 5.850 3.912 ( -11.752 0.000 -3.243) 12.191 4.012 ( -5.217 0.000 -2.218) 5.669 4.223 ( 3.860 0.000 3.471) 5.191 4.442 ( 8.755 0.000 3.904) 9.586 4.469 ( 13.313 0.000 -5.332) 14.341 4.542 ( 5.974 0.000 -2.495) 6.474 4.621 ( 1.231 0.000 10.719) 10.789 4.723 ( 17.255 0.000 8.383) 19.183 4.834 ( -12.844 0.000 9.995) 16.275 5.073 ( 1.646 0.000 -8.029) 8.196 5.252 ( 6.525 0.000 2.577) 7.015 5.451 ( 7.639 0.000 -8.409) 11.361 5.740 ( 0.810 0.000 -1.273) 1.509 5.765 ( 1.558 0.000 3.023) 3.401 5.967 ( 3.986 0.000 8.297) 9.205 5.977 ( -0.507 0.000 -2.227) 2.284 6.135 ( -1.468 0.000 -0.731) 1.640 6.757 ( -3.247 0.000 -11.665) 12.108 6.919 ( -2.593 0.000 -6.220) 6.739 7.173 ( 12.912 0.000 31.425) 33.975 7.405 ( 12.051 0.000 3.546) 12.562 7.664 ( 27.566 0.000 11.518) 29.876 7.672 ( 16.007 0.000 6.190) 17.162 8.364 ( -19.479 0.000 -13.360) 23.620 8.700 ( 7.253 0.000 18.083) 19.483 8.962 ( 14.062 0.000 12.043) 18.514 8.966 ( 9.140 0.000 5.513) 10.674 9.486 ( -22.913 0.000 -28.880) 36.866 9.560 ( 14.194 0.000 10.444) 17.622 9.639 ( -12.721 0.000 16.035) 20.469 9.834 ( 7.714 0.000 7.275) 10.604 10.651 ( 16.593 0.000 -5.730) 17.554 10.962 ( -9.588 0.000 -7.441) 12.137 12.098 ( -5.753 0.000 -13.095) 14.303 12.237 ( -2.146 0.000 14.298) 14.458 12.451 ( -10.666 0.000 -10.282) 14.815 12.865 ( -0.241 0.000 4.063) 4.070 12.903 ( -3.783 0.000 1.433) 4.046 13.155 ( -2.524 0.000 0.446) 2.563 16.032 ( 5.282 0.000 5.223) 7.428 16.200 ( -1.239 0.000 -5.290) 5.433 16.666 ( -4.479 0.000 -4.010) 6.011 16.877 ( 1.730 0.000 -6.035) 6.278 17.767 ( 1.557 0.000 -3.622) 3.943 17.852 ( 4.290 0.000 8.724) 9.722 18.559 ( -20.736 0.000 -23.301) 31.192 18.895 ( 5.888 0.000 5.545) 8.087 25.709 ( 11.322 0.000 10.992) 15.780 26.424 ( 9.468 0.000 9.790) 13.620 26.689 ( -9.620 0.000 -9.684) 13.650 27.833 ( -7.373 0.000 -7.430) 10.467 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 9.431 0.000 4.757) 10.562 1.923 ( -1.584 0.000 0.758) 1.756 2.017 ( 10.713 0.000 -7.340) 12.986 2.431 ( 19.681 0.000 -18.983) 27.344 3.148 ( 4.357 0.000 -2.638) 5.094 3.292 ( -5.096 0.000 -19.757) 20.404 3.575 ( 12.574 0.000 1.455) 12.658 3.691 ( -3.117 0.000 6.319) 7.046 3.799 ( 0.451 0.000 -13.189) 13.196 3.829 ( 7.304 0.000 3.071) 7.923 3.929 ( 0.859 0.000 -3.137) 3.253 4.335 ( 9.297 0.000 4.255) 10.225 4.358 ( -23.323 0.000 -11.622) 26.058 4.574 ( 4.574 0.000 0.066) 4.575 4.656 ( 4.490 0.000 12.021) 12.832 4.719 ( 1.487 0.000 -0.966) 1.773 4.817 ( 11.228 0.000 -6.579) 13.014 5.052 ( 15.923 0.000 -23.395) 28.300 5.191 ( 8.264 0.000 0.984) 8.322 5.408 ( 10.551 0.000 13.731) 17.317 5.521 ( 1.858 0.000 -23.065) 23.139 5.754 ( -2.930 0.000 -1.715) 3.395 5.783 ( 3.545 0.000 5.206) 6.298 5.974 ( -2.517 0.000 0.937) 2.685 6.134 ( 5.234 0.000 -9.467) 10.818 6.151 ( 12.386 0.000 12.641) 17.698 6.701 ( -4.929 0.000 -8.190) 9.559 6.860 ( 1.224 0.000 -7.387) 7.488 7.247 ( -10.732 0.000 21.545) 24.070 7.626 ( 8.127 0.000 1.051) 8.195 7.906 ( 5.746 0.000 -4.110) 7.065 8.091 ( 23.330 0.000 11.047) 25.814 8.321 ( 8.941 0.000 14.656) 17.168 8.676 ( -5.085 0.000 15.417) 16.234 8.917 ( -27.229 0.000 -23.257) 35.810 9.248 ( 12.811 0.000 19.378) 23.230 9.275 ( 2.528 0.000 6.428) 6.907 9.443 ( 4.179 0.000 6.607) 7.817 9.786 ( 1.155 0.000 9.948) 10.014 10.185 ( 33.811 0.000 8.267) 34.807 10.702 ( -15.992 0.000 -4.204) 16.535 11.021 ( 18.884 0.000 -10.856) 21.782 11.944 ( -9.635 0.000 -15.320) 18.098 12.151 ( -19.564 0.000 -8.262) 21.237 12.277 ( 5.471 0.000 11.481) 12.718 12.767 ( -6.737 0.000 3.011) 7.380 12.909 ( 1.589 0.000 5.291) 5.525 13.087 ( -3.945 0.000 2.999) 4.955 16.161 ( 6.467 0.000 2.767) 7.034 16.257 ( 7.940 0.000 -19.954) 21.476 16.561 ( -5.658 0.000 -3.368) 6.584 16.975 ( 8.327 0.000 -20.430) 22.062 17.390 ( -21.776 0.000 -28.457) 35.833 18.093 ( -24.675 0.000 -31.910) 40.337 18.301 ( 22.387 0.000 19.676) 29.805 18.965 ( 0.656 0.000 7.202) 7.232 25.897 ( 8.152 0.000 7.833) 11.305 26.475 ( -11.259 0.000 -7.775) 13.682 26.668 ( 14.683 0.000 7.593) 16.531 27.636 ( -12.294 0.000 -5.888) 13.632 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 7.017 0.000 2.544) 7.464 1.867 ( -4.079 0.000 1.493) 4.344 2.325 ( 20.073 0.000 -20.993) 29.045 2.791 ( -24.776 0.000 -25.541) 35.584 2.952 ( 30.596 0.000 -23.757) 38.736 3.451 ( 10.167 0.000 -5.851) 11.730 3.565 ( -25.583 0.000 -10.222) 27.549 3.617 ( -6.084 0.000 -2.469) 6.566 3.810 ( 8.268 0.000 -14.567) 16.750 3.897 ( 3.858 0.000 -2.383) 4.534 3.967 ( -1.618 0.000 2.798) 3.232 3.968 ( -9.656 0.000 -30.325) 31.825 4.565 ( 11.489 0.000 7.974) 13.985 4.654 ( 3.554 0.000 -2.833) 4.545 4.715 ( -2.117 0.000 -4.085) 4.601 4.718 ( -2.184 0.000 7.913) 8.209 4.970 ( 9.249 0.000 -2.707) 9.637 5.153 ( -6.229 0.000 -2.522) 6.721 5.428 ( 13.539 0.000 -19.365) 23.628 5.629 ( 8.402 0.000 -14.361) 16.639 5.638 ( -6.464 0.000 -8.030) 10.308 5.681 ( 11.624 0.000 12.841) 17.321 5.781 ( -4.687 0.000 -4.325) 6.378 5.876 ( -6.650 0.000 9.301) 11.433 6.319 ( 10.185 0.000 -12.172) 15.871 6.451 ( 17.615 0.000 12.655) 21.689 6.524 ( -10.510 0.000 -9.282) 14.022 6.858 ( -22.287 0.000 8.722) 23.933 7.113 ( 23.084 0.000 -14.429) 27.222 7.587 ( -16.145 0.000 -11.306) 19.710 8.145 ( 13.959 0.000 14.800) 20.345 8.359 ( -5.620 0.000 16.629) 17.553 8.421 ( 2.200 0.000 10.112) 10.349 8.490 ( -8.744 0.000 -8.889) 12.469 8.691 ( 12.960 0.000 8.287) 15.383 9.032 ( -16.623 0.000 11.426) 20.171 9.494 ( 11.839 0.000 21.723) 24.740 9.701 ( -8.043 0.000 18.116) 19.821 9.842 ( 24.005 0.000 1.732) 24.067 10.314 ( -22.110 0.000 -0.770) 22.123 10.959 ( 38.653 0.000 -0.855) 38.662 11.392 ( 17.441 0.000 -14.170) 22.472 11.655 ( -29.897 0.000 -5.428) 30.386 11.708 ( -13.849 0.000 -15.818) 21.024 12.430 ( 9.026 0.000 8.242) 12.223 12.613 ( -8.659 0.000 5.515) 10.266 12.948 ( 2.418 0.000 5.438) 5.951 13.009 ( -3.597 0.000 4.751) 5.959 16.283 ( 6.174 0.000 -1.311) 6.312 16.401 ( -3.736 0.000 -6.915) 7.860 16.559 ( 14.615 0.000 -24.121) 28.204 16.947 ( -21.618 0.000 -31.439) 38.155 17.219 ( 15.975 0.000 -31.161) 35.017 17.610 ( -22.474 0.000 -35.362) 41.899 18.685 ( 15.312 0.000 13.516) 20.423 18.907 ( -6.782 0.000 9.500) 11.673 26.061 ( 8.641 0.000 1.753) 8.817 26.253 ( -10.474 0.000 -4.028) 11.222 26.997 ( 17.514 0.000 2.990) 17.767 27.345 ( -16.413 0.000 -2.207) 16.561 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.000 7.975 18.997) 20.604 1.632 ( 0.000 12.608 31.729) 34.142 2.307 ( 0.000 -1.133 20.031) 20.063 2.335 ( 0.000 7.845 38.878) 39.662 2.503 ( 0.000 40.348 -6.540) 40.875 2.746 ( 0.000 -5.506 35.143) 35.571 3.381 ( 0.000 1.791 15.059) 15.165 3.435 ( 0.000 0.821 11.262) 11.292 3.787 ( 0.000 3.126 -3.578) 4.752 3.814 ( 0.000 7.024 14.658) 16.254 4.045 ( 0.000 0.719 13.267) 13.286 4.171 ( 0.000 -4.801 -2.273) 5.312 4.273 ( 0.000 3.259 10.994) 11.467 4.350 ( 0.000 20.764 2.420) 20.905 4.500 ( 0.000 11.210 0.406) 11.217 4.678 ( 0.000 0.572 4.643) 4.678 4.825 ( 0.000 5.275 -6.744) 8.562 4.888 ( 0.000 -12.783 -1.226) 12.842 5.118 ( 0.000 2.394 1.486) 2.818 5.245 ( 0.000 3.556 8.259) 8.992 5.428 ( 0.000 -4.503 27.538) 27.904 5.593 ( 0.000 14.988 -3.024) 15.290 5.649 ( 0.000 -0.008 17.658) 17.658 5.895 ( 0.000 -0.876 5.468) 5.538 6.059 ( 0.000 2.863 -3.557) 4.566 6.183 ( 0.000 3.226 9.282) 9.827 6.724 ( 0.000 -1.102 8.702) 8.772 6.840 ( 0.000 2.632 19.085) 19.266 6.872 ( 0.000 -3.137 -17.522) 17.801 7.079 ( 0.000 -3.945 5.643) 6.885 7.224 ( 0.000 11.239 30.647) 32.643 7.420 ( 0.000 -1.869 -3.524) 3.989 8.112 ( 0.000 0.924 13.679) 13.710 8.504 ( 0.000 -22.736 8.380) 24.232 8.865 ( 0.000 -5.456 -4.868) 7.312 9.165 ( 0.000 -2.096 3.131) 3.768 9.211 ( 0.000 -4.813 2.816) 5.576 9.360 ( 0.000 -2.239 2.139) 3.097 9.765 ( 0.000 -7.713 -10.317) 12.882 10.072 ( 0.000 -7.332 25.160) 26.207 10.509 ( 0.000 22.649 -16.085) 27.780 11.301 ( 0.000 12.355 -14.242) 18.854 12.130 ( 0.000 -6.818 -10.178) 12.251 12.413 ( 0.000 -7.017 5.781) 9.091 12.623 ( 0.000 -2.052 -10.224) 10.428 12.776 ( 0.000 -3.844 5.849) 7.000 13.014 ( 0.000 -1.451 0.392) 1.503 13.159 ( 0.000 -2.436 -3.856) 4.561 16.193 ( 0.000 22.950 8.423) 24.447 16.420 ( 0.000 4.271 15.994) 16.555 16.903 ( 0.000 -3.025 16.462) 16.738 16.936 ( 0.000 12.562 -3.905) 13.155 17.150 ( 0.000 2.670 25.405) 25.545 18.376 ( 0.000 4.516 -8.139) 9.307 18.521 ( 0.000 -10.037 2.616) 10.373 18.963 ( 0.000 -3.554 -10.684) 11.260 25.203 ( 0.000 -1.038 12.101) 12.145 26.141 ( 0.000 -9.355 8.624) 12.724 26.933 ( 0.000 3.010 -10.760) 11.173 27.855 ( 0.000 -10.215 -7.815) 12.862 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 2.971 5.143 16.261) 17.312 1.761 ( 7.920 8.167 23.961) 26.524 2.232 ( -5.225 -1.386 18.101) 18.891 2.430 ( -6.357 35.198 -7.138) 36.473 2.530 ( 19.226 10.737 33.434) 40.034 2.914 ( 13.801 -5.528 27.087) 30.898 3.415 ( 4.524 6.228 9.427) 12.170 3.500 ( -2.380 9.990 4.769) 11.323 3.652 ( 5.141 -3.752 6.852) 9.352 4.060 ( 2.946 -1.167 5.006) 5.924 4.082 ( 9.370 2.086 2.558) 9.935 4.240 ( 4.655 -2.964 3.150) 6.354 4.293 ( 2.847 13.228 2.014) 13.680 4.381 ( 1.584 8.280 7.805) 11.488 4.557 ( 5.462 9.000 2.120) 10.739 4.635 ( -0.702 4.315 1.390) 4.588 4.794 ( -3.470 5.091 -2.698) 6.726 4.921 ( 1.464 -2.603 3.491) 4.595 5.084 ( -1.394 1.736 -1.587) 2.734 5.290 ( 0.965 3.583 2.996) 4.769 5.399 ( 1.442 7.814 25.204) 26.427 5.516 ( 1.184 2.309 1.704) 3.104 5.794 ( 6.295 1.696 10.187) 12.095 5.998 ( 4.198 0.944 7.688) 8.810 6.055 ( 1.688 6.255 -2.171) 6.833 6.168 ( 0.390 2.871 5.141) 5.901 6.790 ( 2.268 -4.087 -0.917) 4.763 6.823 ( -0.789 -4.756 -8.898) 10.120 6.943 ( 4.789 5.720 7.045) 10.261 7.136 ( 14.564 -1.263 15.835) 21.551 7.321 ( 7.792 8.497 27.308) 29.642 7.451 ( 5.263 -2.683 -4.903) 7.677 8.277 ( 11.041 -6.140 10.834) 16.643 8.451 ( -5.123 -23.492 -0.397) 24.047 8.761 ( -5.025 -2.873 4.038) 7.057 9.029 ( -4.471 -0.176 5.121) 6.800 9.354 ( 8.765 -0.476 9.504) 12.937 9.508 ( 8.482 -7.672 -1.508) 11.536 9.692 ( -6.445 -9.284 3.880) 11.949 10.107 ( 0.320 3.837 4.744) 6.110 10.443 ( -3.247 12.708 -12.203) 17.915 11.257 ( -4.359 13.137 -12.152) 18.419 12.095 ( -3.511 -7.698 -11.083) 13.944 12.333 ( -5.890 -2.758 9.986) 11.918 12.567 ( -5.185 -2.901 -10.764) 12.295 12.795 ( 1.408 -4.103 5.271) 6.827 12.980 ( -3.061 -0.696 0.278) 3.152 13.158 ( -0.420 -2.349 -2.153) 3.214 16.195 ( 0.062 19.411 8.450) 21.170 16.356 ( -3.763 8.321 7.593) 11.877 16.857 ( -3.457 -2.575 10.076) 10.959 16.929 ( -0.804 14.070 -4.574) 14.817 17.363 ( 18.530 1.447 26.308) 32.211 18.174 ( -14.352 1.758 -11.088) 18.222 18.661 ( 8.042 -7.588 2.933) 11.439 18.851 ( -11.050 -3.522 -14.054) 18.222 25.361 ( 12.967 -4.146 12.040) 18.174 26.181 ( 4.097 -9.525 9.049) 13.762 26.876 ( -5.464 3.086 -10.524) 12.253 27.821 ( -3.404 -10.396 -7.897) 13.492 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 9.587 2.474 7.035) 12.145 1.901 ( 7.091 4.685 7.614) 11.411 2.193 ( 3.536 -0.285 0.957) 3.674 2.253 ( -9.824 23.239 -10.226) 27.224 3.012 ( 23.254 11.978 19.858) 32.841 3.228 ( 16.632 -4.700 15.394) 23.145 3.452 ( 3.457 10.691 0.177) 11.237 3.563 ( 5.322 2.961 2.292) 6.507 3.778 ( 4.932 -2.204 -3.401) 6.383 4.007 ( -7.841 3.083 0.236) 8.429 4.126 ( -5.886 7.478 -0.268) 9.521 4.250 ( -2.664 4.083 -2.323) 5.400 4.379 ( 5.150 -5.664 7.368) 10.625 4.476 ( 7.473 7.645 -2.071) 10.889 4.643 ( 1.479 -1.996 2.539) 3.553 4.762 ( 10.191 1.984 4.196) 11.198 4.829 ( 5.666 19.787 5.497) 21.303 4.865 ( -1.637 0.556 1.241) 2.128 5.098 ( 3.072 4.623 -5.985) 8.162 5.359 ( 7.137 2.224 -4.376) 8.662 5.525 ( 7.606 10.766 7.864) 15.349 5.600 ( 6.201 1.377 3.460) 7.233 5.870 ( 2.228 -1.752 4.319) 5.166 6.036 ( 1.074 8.051 -3.187) 8.726 6.088 ( 1.149 10.098 7.025) 12.355 6.217 ( 4.171 8.796 1.320) 9.824 6.717 ( -3.393 -3.059 -11.864) 12.713 6.893 ( -1.732 -2.386 -6.342) 6.993 6.992 ( 6.504 -9.074 15.270) 18.916 7.500 ( 10.413 3.858 17.952) 21.109 7.659 ( 14.789 -0.592 12.707) 19.507 7.699 ( 28.498 2.298 0.342) 28.593 8.107 ( -13.424 -17.594 -7.788) 23.461 8.708 ( 21.886 -7.543 8.817) 24.771 8.744 ( 0.750 -5.487 17.236) 18.104 9.042 ( 6.219 -1.969 10.115) 12.036 9.505 ( -8.500 -7.650 7.518) 13.686 9.557 ( 10.049 -4.436 6.396) 12.711 9.604 ( -2.964 2.417 0.801) 3.907 9.966 ( -8.610 17.537 -9.999) 21.947 10.558 ( 13.449 -8.685 -5.339) 16.876 11.122 ( -9.367 14.023 -8.516) 18.892 11.985 ( -7.515 -10.108 -13.342) 18.348 12.254 ( -1.156 1.162 11.231) 11.350 12.412 ( -10.439 -3.574 -9.654) 14.661 12.821 ( 0.883 -4.079 5.021) 6.529 12.904 ( -4.148 0.542 1.792) 4.551 13.131 ( -2.405 -2.115 0.743) 3.288 16.207 ( 2.096 10.065 -0.993) 10.329 16.335 ( 1.611 17.603 0.787) 17.694 16.793 ( -2.965 2.284 -0.470) 3.772 16.921 ( 0.776 11.697 -8.187) 14.298 17.778 ( 10.116 0.388 5.808) 11.672 17.864 ( -5.383 1.207 -1.693) 5.770 18.526 ( -20.144 -2.997 -22.676) 30.479 18.802 ( 5.337 -8.652 5.124) 11.385 25.624 ( 12.135 -5.858 11.869) 17.957 26.312 ( 9.100 -9.971 9.244) 16.361 26.722 ( -9.601 3.188 -9.702) 14.017 27.713 ( -7.582 -10.781 -7.703) 15.266 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 6.154 1.711 -3.235) 7.160 1.958 ( -7.598 8.493 -14.440) 18.395 2.204 ( 12.258 9.904 -9.085) 18.191 2.427 ( 19.461 -0.331 -18.495) 26.850 3.278 ( 0.989 6.405 -2.077) 6.806 3.470 ( -1.137 5.538 -6.855) 8.885 3.543 ( 9.997 0.565 1.631) 10.144 3.723 ( 7.849 0.017 11.802) 14.174 3.795 ( -3.238 -0.581 -2.780) 4.307 3.909 ( 0.703 2.341 -2.421) 3.441 3.941 ( -6.588 6.405 -8.596) 12.582 4.244 ( -7.821 -1.228 -3.724) 8.749 4.418 ( 0.560 0.713 2.382) 2.549 4.484 ( 1.492 -1.773 -2.405) 3.339 4.734 ( 3.017 4.135 -0.687) 5.164 4.766 ( 2.451 3.613 -2.795) 5.184 4.913 ( 5.416 -1.942 -3.004) 6.490 5.124 ( 13.843 12.097 -12.513) 22.238 5.219 ( 7.525 3.297 0.741) 8.249 5.504 ( 6.406 4.632 -4.375) 9.035 5.646 ( 2.524 -1.864 6.366) 7.098 5.735 ( 7.638 15.269 0.460) 17.079 5.954 ( 3.489 6.156 1.431) 7.220 5.974 ( -2.017 4.167 -6.469) 7.955 6.136 ( 1.817 7.655 5.239) 9.453 6.382 ( 11.332 15.448 2.070) 19.270 6.681 ( -3.642 -0.386 -10.518) 11.137 6.826 ( 1.963 -3.662 -6.054) 7.343 7.113 ( 0.565 -8.302 10.993) 13.787 7.585 ( -4.602 -4.769 3.226) 7.370 7.787 ( 9.038 -6.592 6.417) 12.896 8.106 ( 14.500 -0.786 7.198) 16.207 8.208 ( 11.072 -5.731 17.541) 21.520 8.748 ( 0.806 3.170 10.877) 11.358 9.057 ( -0.064 -8.714 16.487) 18.648 9.159 ( -5.604 4.105 -3.894) 7.963 9.345 ( 0.042 6.477 -9.978) 11.896 9.447 ( 9.036 6.742 8.505) 14.122 9.750 ( 0.309 -3.439 5.960) 6.888 10.153 ( 30.381 -2.452 7.870) 31.480 10.855 ( -10.148 7.684 -6.651) 14.362 10.897 ( 11.626 -5.948 -9.050) 15.888 11.790 ( -12.085 -13.185 -14.809) 23.221 12.110 ( -17.922 -4.916 -9.942) 21.076 12.314 ( 4.860 3.509 10.888) 12.429 12.775 ( -5.807 0.697 3.599) 6.867 12.871 ( 1.237 -3.156 5.901) 6.806 13.064 ( -4.060 -2.101 3.372) 5.680 16.317 ( 9.229 6.015 -17.739) 20.881 16.400 ( 4.431 20.411 0.841) 20.903 16.722 ( -4.246 10.781 -3.444) 12.088 16.996 ( 7.262 4.968 -18.891) 20.839 17.425 ( -21.517 3.055 -28.168) 35.578 18.069 ( -23.602 -1.990 -30.453) 38.580 18.266 ( 20.357 -3.524 17.836) 27.294 18.867 ( 0.706 -9.295 6.750) 11.508 25.844 ( 10.090 -3.814 8.232) 13.569 26.497 ( -8.954 1.268 -6.069) 10.891 26.556 ( 11.655 -8.882 5.487) 15.647 27.512 ( -12.411 -11.093 -6.177) 17.755 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 7.362 -0.590 -14.897) 16.627 1.754 ( -10.490 1.223 -18.540) 21.337 2.574 ( 21.657 12.970 -13.348) 28.555 2.931 ( 28.803 -1.909 -23.927) 37.493 3.016 ( -20.799 11.954 -14.120) 27.837 3.455 ( -13.385 -4.661 -10.138) 17.426 3.580 ( -2.357 2.953 -0.201) 3.784 3.654 ( -6.357 -0.137 0.428) 6.373 3.815 ( 6.439 0.225 -6.758) 9.337 3.908 ( -1.820 -1.327 -10.508) 10.747 3.953 ( 1.298 1.643 -1.584) 2.625 3.998 ( -6.671 2.723 -13.537) 15.336 4.525 ( 3.685 -3.069 -1.048) 4.909 4.534 ( 2.087 -5.339 -1.090) 5.835 4.788 ( 3.096 7.539 -1.907) 8.370 4.818 ( 0.539 1.964 -2.512) 3.234 5.063 ( 10.205 4.361 -1.104) 11.152 5.237 ( -3.983 7.836 -0.077) 8.791 5.403 ( 10.735 3.921 -12.543) 16.969 5.581 ( -4.733 -3.140 -5.261) 7.742 5.666 ( 6.267 4.091 2.684) 7.951 5.823 ( -7.994 6.471 -4.949) 11.414 5.893 ( 7.694 12.089 1.263) 14.385 6.019 ( -3.587 10.319 1.210) 10.991 6.269 ( 11.626 -1.068 0.520) 11.686 6.504 ( -11.100 -1.085 -4.997) 12.221 6.588 ( 10.219 7.347 3.913) 13.180 6.834 ( -12.333 -3.039 5.356) 13.786 7.243 ( 22.757 12.458 -10.377) 27.943 7.585 ( -3.209 -4.747 0.776) 5.782 7.924 ( 3.343 -8.830 7.834) 12.269 8.056 ( -10.612 -12.322 13.435) 21.093 8.547 ( 17.226 -1.859 15.933) 23.538 8.760 ( 1.159 12.159 -1.344) 12.288 8.820 ( -11.077 12.986 6.166) 18.148 8.923 ( -12.404 -0.897 -0.684) 12.455 9.508 ( 9.222 -3.814 14.898) 17.931 9.672 ( -6.484 -5.145 14.226) 16.459 9.911 ( 27.920 9.489 2.541) 29.598 10.447 ( -24.272 12.565 -1.364) 27.365 10.878 ( 36.244 -7.716 -0.988) 37.070 11.264 ( 18.892 -11.452 -14.614) 26.488 11.475 ( -21.086 -14.399 -10.594) 27.644 11.678 ( -23.042 -5.054 -11.788) 26.371 12.457 ( 8.556 2.715 8.478) 12.347 12.631 ( -8.234 1.922 6.002) 10.369 12.912 ( 2.722 -3.265 5.990) 7.345 12.980 ( -3.959 -2.584 5.199) 7.027 16.498 ( 5.454 18.452 -3.464) 19.551 16.558 ( 8.473 10.093 -18.222) 22.487 16.650 ( 2.855 11.198 -10.445) 15.577 16.988 ( -21.059 3.582 -30.879) 37.547 17.223 ( 15.174 1.439 -29.779) 33.453 17.601 ( -21.826 -0.450 -34.159) 40.539 18.617 ( 13.901 -6.542 12.552) 19.839 18.817 ( -5.995 -8.594 8.869) 13.728 26.046 ( 10.388 -0.752 1.904) 10.588 26.267 ( -11.525 1.640 -3.989) 12.306 26.875 ( 17.297 -10.918 2.639) 20.624 27.220 ( -16.371 -11.153 -2.533) 19.970 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 27.404 18.055) 32.817 1.950 ( 0.000 15.270 29.508) 33.225 2.227 ( 0.000 -4.541 23.398) 23.834 2.494 ( 0.000 9.126 17.195) 19.466 2.573 ( 0.000 -10.422 31.890) 33.550 3.242 ( 0.000 7.886 -21.435) 22.840 3.344 ( 0.000 1.686 2.265) 2.824 3.502 ( 0.000 6.463 -0.738) 6.505 3.886 ( 0.000 6.039 -0.682) 6.078 4.024 ( 0.000 8.642 4.043) 9.541 4.156 ( 0.000 7.024 6.513) 9.579 4.159 ( 0.000 4.318 4.148) 5.987 4.358 ( 0.000 4.695 13.246) 14.054 4.575 ( 0.000 1.648 -6.563) 6.767 4.578 ( 0.000 -10.859 -2.213) 11.082 4.658 ( 0.000 -0.925 9.478) 9.523 4.843 ( 0.000 16.323 6.272) 17.487 5.057 ( 0.000 13.854 9.328) 16.702 5.164 ( 0.000 1.703 2.704) 3.195 5.243 ( 0.000 -3.028 19.358) 19.593 5.504 ( 0.000 12.669 6.464) 14.222 5.603 ( 0.000 -3.627 16.978) 17.361 5.673 ( 0.000 -8.218 0.492) 8.233 5.914 ( 0.000 4.137 10.288) 11.088 6.271 ( 0.000 13.706 5.415) 14.737 6.287 ( 0.000 5.200 8.627) 10.073 6.600 ( 0.000 -5.267 0.908) 5.345 6.733 ( 0.000 -11.378 -15.225) 19.006 6.932 ( 0.000 0.621 31.630) 31.636 6.933 ( 0.000 -7.980 2.475) 8.355 7.288 ( 0.000 1.259 -8.225) 8.321 7.716 ( 0.000 24.236 30.164) 38.694 7.964 ( 0.000 -24.833 10.667) 27.027 8.256 ( 0.000 12.397 3.476) 12.875 8.675 ( 0.000 -12.068 10.615) 16.072 9.083 ( 0.000 -7.248 -8.108) 10.876 9.107 ( 0.000 -3.121 6.034) 6.794 9.217 ( 0.000 -13.087 7.562) 15.115 9.597 ( 0.000 -3.945 5.313) 6.617 9.834 ( 0.000 -12.379 22.365) 25.562 11.042 ( 0.000 24.706 -15.695) 29.270 11.631 ( 0.000 15.397 -15.594) 21.915 11.923 ( 0.000 -11.019 -10.820) 15.443 12.269 ( 0.000 -7.330 -2.234) 7.663 12.558 ( 0.000 -2.712 -2.827) 3.917 12.670 ( 0.000 -5.578 6.542) 8.597 12.998 ( 0.000 0.297 0.284) 0.411 13.094 ( 0.000 -3.327 -3.092) 4.542 16.541 ( 0.000 6.558 15.911) 17.210 16.810 ( 0.000 -0.360 15.036) 15.040 16.833 ( 0.000 28.545 8.992) 29.928 17.155 ( 0.000 6.612 5.355) 8.508 17.222 ( 0.000 4.301 20.570) 21.015 18.188 ( 0.000 -21.335 3.299) 21.589 18.509 ( 0.000 7.555 -8.463) 11.345 18.850 ( 0.000 -6.823 -9.969) 12.081 25.277 ( 0.000 8.389 7.459) 11.226 25.871 ( 0.000 -15.028 6.514) 16.379 27.041 ( 0.000 7.500 -10.471) 12.880 27.572 ( 0.000 -15.057 -8.673) 17.376 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 2.909 32.236 13.406) 35.033 1.935 ( -0.029 7.444 23.648) 24.792 2.173 ( -3.423 -3.069 18.925) 19.476 2.702 ( 13.928 -5.765 23.386) 27.823 2.763 ( 20.167 4.101 17.288) 26.877 3.123 ( -11.924 21.924 -19.547) 31.700 3.418 ( 6.831 -10.945 -0.585) 12.915 3.615 ( 6.746 2.980 -4.509) 8.644 3.782 ( -4.842 13.093 -1.241) 14.015 4.067 ( -0.393 1.323 4.931) 5.120 4.132 ( 5.074 1.653 2.587) 5.930 4.273 ( 0.975 3.802 1.675) 4.268 4.421 ( 7.578 2.621 10.219) 12.989 4.542 ( -1.819 -5.667 -0.743) 5.998 4.602 ( -2.993 6.987 11.651) 13.911 4.624 ( 1.984 -3.209 -5.968) 7.060 4.898 ( 5.390 13.656 5.810) 15.789 5.084 ( 2.481 5.969 -0.334) 6.473 5.201 ( 4.498 5.282 4.943) 8.519 5.318 ( 5.735 -3.715 11.921) 13.740 5.448 ( -4.295 11.131 12.249) 17.099 5.687 ( 9.174 5.886 5.889) 12.389 5.741 ( 5.251 -5.978 6.965) 10.575 6.092 ( 12.083 3.531 11.970) 17.371 6.246 ( -3.161 5.057 6.698) 8.969 6.313 ( 5.015 15.185 6.868) 17.404 6.682 ( 1.046 -5.853 -4.693) 7.575 6.693 ( 3.269 -5.543 -10.596) 12.398 7.016 ( 5.897 -2.065 9.231) 11.147 7.133 ( 21.443 0.526 22.064) 30.772 7.371 ( 8.891 -1.455 -10.314) 13.695 7.636 ( -6.453 18.217 23.771) 30.635 7.920 ( -5.046 -19.906 6.053) 21.409 8.309 ( 5.657 5.839 7.235) 10.883 8.590 ( -4.426 -10.608 13.931) 18.061 8.989 ( -4.136 -1.636 6.771) 8.102 9.207 ( 5.069 -13.373 2.023) 14.444 9.278 ( 2.561 -15.925 1.242) 16.178 9.584 ( 1.958 2.833 15.079) 15.467 9.957 ( 10.147 -11.721 10.015) 18.456 10.918 ( -11.884 25.380 -17.826) 33.214 11.591 ( -4.125 14.364 -14.142) 20.575 11.868 ( -5.454 -11.308 -11.690) 17.155 12.248 ( -1.914 -6.832 -2.610) 7.560 12.502 ( -4.955 -1.189 -1.006) 5.194 12.680 ( 0.829 -6.211 6.376) 8.940 12.983 ( -1.447 1.150 0.512) 1.918 13.095 ( -0.230 -3.319 -1.495) 3.647 16.454 ( -5.544 8.100 8.974) 13.300 16.763 ( -3.523 -5.364 9.342) 11.334 16.873 ( 2.790 33.185 5.905) 33.822 17.217 ( 4.558 10.612 4.561) 12.417 17.395 ( 15.349 1.163 21.951) 26.810 18.111 ( -7.892 -12.693 -3.417) 15.332 18.515 ( 0.820 -1.606 -4.499) 4.847 18.742 ( -10.484 -6.351 -13.050) 17.904 25.363 ( 7.896 5.464 9.438) 13.464 25.908 ( 3.765 -15.089 7.464) 17.250 26.988 ( -5.193 7.720 -10.345) 13.913 27.533 ( -3.920 -15.391 -8.715) 18.117 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 8.863 32.714 3.895) 34.117 2.006 ( 7.458 4.587 5.121) 10.144 2.175 ( 5.409 -0.211 1.407) 5.593 2.767 ( -16.467 20.454 -18.556) 32.153 3.022 ( 12.877 -9.554 13.641) 21.052 3.230 ( 20.414 4.145 12.441) 24.263 3.493 ( 0.414 -9.363 -4.855) 10.555 3.614 ( -4.199 -1.883 -4.147) 6.195 3.813 ( 3.668 8.132 -3.506) 9.585 4.014 ( -4.526 -1.143 2.002) 5.080 4.245 ( 5.125 1.316 -1.092) 5.403 4.277 ( 1.133 0.549 2.138) 2.481 4.404 ( -8.919 0.800 4.479) 10.012 4.585 ( 7.602 -1.831 2.715) 8.278 4.652 ( 0.914 1.796 -7.106) 7.386 4.667 ( 3.427 3.946 7.538) 9.173 4.985 ( 3.157 8.860 2.960) 9.861 5.104 ( -1.454 3.741 0.646) 4.065 5.339 ( 9.012 2.855 1.044) 9.511 5.395 ( 5.446 7.486 -2.562) 9.605 5.502 ( 7.319 5.621 10.622) 14.071 5.827 ( 4.833 1.423 0.060) 5.038 5.920 ( 10.810 8.784 9.855) 17.063 6.170 ( 0.681 5.515 6.594) 8.623 6.319 ( 6.119 7.311 0.629) 9.555 6.470 ( 8.474 8.865 13.349) 18.127 6.615 ( -2.340 -8.590 -9.208) 12.808 6.840 ( 3.672 2.372 -11.311) 12.127 7.078 ( 1.964 16.084 9.305) 18.686 7.555 ( 1.327 1.870 12.022) 12.238 7.644 ( 10.571 -0.372 13.792) 17.381 7.710 ( 22.423 -2.601 -7.821) 23.890 7.799 ( 7.173 -6.696 8.140) 12.749 8.452 ( 6.340 -16.149 18.568) 25.412 8.666 ( 14.692 -0.604 10.470) 18.051 8.946 ( -0.194 -3.095 9.612) 10.100 9.260 ( 3.398 -13.083 10.015) 16.823 9.345 ( 4.684 -14.950 1.478) 15.736 9.703 ( 8.938 7.633 11.994) 16.793 10.195 ( 12.734 -10.640 -1.096) 16.630 10.601 ( -18.163 24.422 -20.502) 36.697 11.453 ( -9.970 11.172 -12.228) 19.332 11.707 ( -10.599 -11.653 -13.082) 20.476 12.175 ( -6.983 -10.210 -8.313) 14.903 12.405 ( -2.852 4.631 6.808) 8.714 12.701 ( 1.238 -6.868 6.423) 9.485 12.937 ( -3.240 2.460 2.195) 4.623 13.072 ( -2.217 -3.197 1.410) 4.138 16.391 ( 0.002 8.625 -4.367) 9.667 16.721 ( -0.131 -5.363 -3.138) 6.215 16.926 ( 2.491 32.266 3.281) 32.528 17.297 ( 3.143 17.998 1.176) 18.308 17.750 ( 16.464 -3.540 14.667) 22.332 17.878 ( -12.983 -2.174 -11.295) 17.345 18.442 ( -17.948 -4.456 -20.366) 27.509 18.547 ( 1.280 -13.416 0.960) 13.511 25.562 ( 11.336 1.820 11.102) 15.971 26.030 ( 8.637 -15.218 8.527) 19.465 26.839 ( -9.483 8.134 -9.726) 15.833 27.412 ( -8.177 -16.099 -8.448) 19.935 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 4.658 33.115 -8.247) 34.443 2.240 ( 9.354 11.663 -15.326) 21.411 2.418 ( 18.277 -0.159 -16.426) 24.574 2.465 ( -4.725 19.225 -19.505) 27.792 3.202 ( 1.548 -14.472 -3.769) 15.035 3.442 ( 4.110 -3.666 4.017) 6.816 3.519 ( -4.754 -9.278 -4.329) 11.288 3.578 ( 5.455 -7.415 11.256) 14.541 3.824 ( -2.024 3.496 1.244) 4.227 3.940 ( -2.239 1.091 -3.586) 4.366 4.152 ( -12.635 7.121 -0.414) 14.509 4.250 ( -7.284 -1.397 1.303) 7.531 4.386 ( 6.335 0.410 -7.125) 9.543 4.581 ( -6.241 7.136 -6.934) 11.745 4.695 ( 1.711 -6.989 -4.746) 8.620 4.724 ( 4.475 -6.089 -3.203) 8.207 5.036 ( 7.170 13.241 -0.037) 15.057 5.238 ( 11.699 1.605 1.219) 11.871 5.500 ( 5.638 4.359 -0.706) 7.162 5.526 ( 5.377 8.195 -0.725) 9.828 5.646 ( 6.705 3.068 -0.219) 7.377 5.918 ( 4.489 3.137 -3.612) 6.560 6.118 ( 8.771 9.699 9.559) 16.198 6.171 ( -2.684 7.261 4.666) 9.039 6.359 ( -1.734 10.982 -3.076) 11.536 6.560 ( 0.999 -4.623 -0.719) 4.784 6.664 ( 5.255 -7.794 11.553) 14.894 6.764 ( -6.654 7.128 -7.972) 12.595 7.268 ( 15.476 22.246 1.529) 27.143 7.494 ( -6.040 -0.651 -0.471) 6.094 7.690 ( 5.470 -1.469 18.028) 18.896 8.042 ( 4.563 -5.647 16.356) 17.895 8.155 ( 18.111 1.082 10.652) 21.039 8.628 ( 10.104 -14.539 5.860) 18.650 8.947 ( -0.278 -3.268 4.885) 5.884 8.991 ( 11.763 -7.010 13.884) 19.501 9.428 ( 4.744 -5.898 7.329) 10.536 9.557 ( 25.027 0.878 3.579) 25.297 9.931 ( 6.449 12.986 -8.652) 16.884 10.218 ( -2.981 17.532 -8.503) 19.712 10.544 ( 16.178 -18.242 -8.428) 25.798 11.180 ( -17.374 8.349 -10.719) 22.055 11.444 ( -15.482 -13.126 -13.380) 24.310 11.928 ( -17.239 -11.707 -10.211) 23.206 12.425 ( 4.228 6.633 9.863) 12.616 12.732 ( 1.822 -5.810 6.358) 8.803 12.851 ( -5.056 2.527 5.113) 7.622 13.004 ( -4.449 -3.368 4.125) 6.939 16.470 ( 7.991 8.015 -18.104) 21.351 16.768 ( 4.756 -3.878 -14.295) 15.557 16.970 ( 1.657 29.035 -0.003) 29.082 17.346 ( 1.816 22.441 -3.224) 22.744 17.501 ( -19.563 3.652 -26.086) 32.811 18.028 ( -18.157 -1.045 -23.222) 29.497 18.133 ( 13.118 -9.178 10.713) 19.263 18.566 ( -0.030 -18.389 4.163) 18.854 25.806 ( 12.776 1.819 8.108) 15.241 26.257 ( 13.772 -15.414 6.809) 21.763 26.617 ( -12.359 7.997 -7.912) 16.712 27.202 ( -12.670 -16.598 -6.895) 21.990 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 4.248 31.343 -20.769) 37.839 2.096 ( -10.082 27.565 -25.284) 38.740 2.798 ( 20.704 6.795 -11.167) 24.486 2.866 ( 25.385 -2.394 -23.246) 34.504 3.112 ( -9.232 -7.232 -11.436) 16.380 3.346 ( -17.299 -0.706 -8.730) 19.390 3.498 ( 2.046 -13.227 1.582) 13.478 3.575 ( -3.607 -4.819 2.653) 6.578 3.816 ( 2.440 0.283 4.764) 5.360 3.888 ( -3.558 -0.080 -0.952) 3.684 3.963 ( -3.301 -0.885 -4.648) 5.769 4.031 ( -9.989 -1.749 -4.958) 11.288 4.482 ( 2.790 0.357 -8.720) 9.162 4.513 ( -1.186 2.527 -8.974) 9.398 4.741 ( 2.289 -7.847 -8.336) 11.675 4.767 ( 0.069 -8.031 -8.063) 11.380 5.272 ( 13.294 13.540 3.121) 19.231 5.419 ( 2.437 6.102 2.547) 7.047 5.563 ( 0.510 7.158 -4.321) 8.377 5.569 ( 0.317 1.134 -3.512) 3.704 5.775 ( 7.360 6.763 -3.004) 10.437 5.947 ( -6.609 4.494 -6.712) 10.436 6.103 ( 3.607 2.946 1.347) 4.848 6.250 ( -8.253 1.775 -4.025) 9.352 6.320 ( 9.841 10.455 11.500) 18.396 6.494 ( -6.920 3.924 4.038) 8.921 6.717 ( 2.922 2.492 2.724) 4.708 6.754 ( 0.447 -2.100 4.640) 5.113 7.465 ( 3.202 2.185 10.507) 11.199 7.517 ( 3.572 8.095 11.712) 14.679 7.796 ( 7.846 -1.031 4.446) 9.077 7.976 ( -7.289 -2.682 17.147) 18.824 8.512 ( 15.213 1.685 11.494) 19.141 8.720 ( -3.657 -4.525 12.626) 13.902 8.972 ( 5.170 -0.856 -3.139) 6.109 9.086 ( -2.267 -8.526 10.125) 13.429 9.501 ( 5.152 9.561 0.197) 10.862 9.700 ( -14.546 21.702 -14.561) 29.910 10.165 ( 31.650 8.556 -2.646) 32.893 10.630 ( 25.907 -13.204 -2.871) 29.219 10.750 ( -25.156 8.952 -7.705) 27.791 10.957 ( 23.971 -15.010 -11.092) 30.380 11.092 ( -18.658 -16.564 -11.423) 27.441 11.495 ( -25.436 -11.521 -9.301) 29.431 12.547 ( 7.372 5.497 8.642) 12.619 12.697 ( -6.685 3.931 6.542) 10.146 12.817 ( 3.154 -5.311 7.282) 9.549 12.905 ( -5.029 -4.280 6.126) 9.008 16.709 ( 15.478 6.855 -27.818) 32.564 16.892 ( 6.503 3.571 -16.808) 18.373 16.973 ( -2.340 19.393 -7.664) 20.984 17.085 ( -19.297 4.975 -28.916) 35.118 17.426 ( 6.178 20.885 -11.771) 24.757 17.649 ( -16.083 8.258 -24.387) 30.357 18.388 ( 9.960 -15.322 9.307) 20.508 18.528 ( -4.153 -18.523 6.346) 20.016 26.073 ( 13.687 4.255 1.958) 14.466 26.350 ( -13.612 6.737 -3.896) 15.680 26.572 ( 16.688 -15.970 1.948) 23.181 26.909 ( -16.165 -16.531 -3.251) 23.348 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 0.000 -11.297 26.956) 29.227 2.027 ( 0.000 11.297 26.956) 29.227 2.311 ( 0.000 -13.202 29.244) 32.086 2.311 ( 0.000 13.202 29.244) 32.086 2.849 ( 0.000 -23.135 -6.359) 23.993 2.849 ( 0.000 23.135 -6.359) 23.993 3.549 ( 0.000 -3.252 -14.571) 14.929 3.549 ( 0.000 3.252 -14.571) 14.929 4.066 ( 0.000 -9.687 4.498) 10.680 4.066 ( 0.000 9.687 4.498) 10.680 4.186 ( 0.000 -4.627 -1.288) 4.803 4.186 ( 0.000 4.627 -1.288) 4.803 4.455 ( 0.000 -3.789 10.912) 11.552 4.455 ( 0.000 3.789 10.912) 11.552 4.624 ( 0.000 -3.299 2.574) 4.185 4.624 ( 0.000 3.299 2.574) 4.185 5.130 ( 0.000 -5.544 6.386) 8.457 5.130 ( 0.000 5.544 6.386) 8.457 5.235 ( 0.000 -1.525 7.713) 7.863 5.235 ( 0.000 1.525 7.713) 7.863 5.510 ( 0.000 -0.325 15.877) 15.880 5.510 ( 0.000 0.325 15.877) 15.880 5.877 ( 0.000 -12.935 6.721) 14.577 5.877 ( 0.000 12.935 6.721) 14.577 6.378 ( 0.000 -5.918 5.123) 7.828 6.378 ( 0.000 5.918 5.123) 7.828 6.553 ( 0.000 -1.163 4.019) 4.184 6.553 ( 0.000 1.163 4.019) 4.184 6.858 ( 0.000 -2.654 2.201) 3.447 6.858 ( 0.000 2.654 2.201) 3.447 7.497 ( 0.000 -17.367 9.544) 19.816 7.497 ( 0.000 17.367 9.544) 19.816 8.228 ( 0.000 -20.589 21.794) 29.981 8.228 ( 0.000 20.589 21.794) 29.981 8.734 ( 0.000 -21.027 0.274) 21.029 8.734 ( 0.000 21.027 0.274) 21.029 9.066 ( 0.000 -0.501 2.926) 2.968 9.066 ( 0.000 0.501 2.926) 2.968 9.627 ( 0.000 -5.909 16.870) 17.875 9.627 ( 0.000 5.909 16.870) 17.875 11.520 ( 0.000 -19.183 -14.416) 23.996 11.520 ( 0.000 19.183 -14.416) 23.996 12.039 ( 0.000 -14.109 -11.884) 18.447 12.039 ( 0.000 14.109 -11.884) 18.447 12.565 ( 0.000 -3.402 5.748) 6.679 12.565 ( 0.000 3.402 5.748) 6.679 13.029 ( 0.000 -2.476 -1.496) 2.893 13.029 ( 0.000 2.476 -1.496) 2.893 16.685 ( 0.000 -6.608 15.973) 17.286 16.685 ( 0.000 6.608 15.973) 17.286 17.213 ( 0.000 -1.280 15.410) 15.463 17.213 ( 0.000 1.280 15.410) 15.463 17.616 ( 0.000 -30.872 4.670) 31.223 17.616 ( 0.000 30.872 4.670) 31.223 18.683 ( 0.000 -8.352 -9.115) 12.363 18.683 ( 0.000 8.352 -9.115) 12.363 25.539 ( 0.000 -14.998 5.263) 15.895 25.539 ( 0.000 14.998 5.263) 15.895 27.261 ( 0.000 -12.953 -9.740) 16.207 27.261 ( 0.000 12.953 -9.740) 16.207 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -0.504 -3.906 22.042) 22.391 2.037 ( -0.504 3.906 22.042) 22.391 2.341 ( 5.609 -23.123 18.645) 30.229 2.341 ( 5.609 23.123 18.645) 30.229 3.022 ( 14.184 -15.799 -2.602) 21.391 3.022 ( 14.184 15.799 -2.602) 21.391 3.533 ( -3.848 -10.475 -13.612) 17.602 3.533 ( -3.848 10.475 -13.612) 17.602 4.002 ( -3.301 -7.576 0.863) 8.308 4.002 ( -3.301 7.576 0.863) 8.308 4.230 ( 3.105 -7.063 -1.908) 7.948 4.230 ( 3.105 7.063 -1.908) 7.948 4.445 ( -1.672 -2.193 10.533) 10.888 4.445 ( -1.672 2.193 10.533) 10.888 4.672 ( 4.196 -1.940 1.676) 4.917 4.672 ( 4.196 1.940 1.676) 4.917 5.143 ( 1.909 -7.843 6.666) 10.468 5.143 ( 1.909 7.843 6.666) 10.468 5.230 ( 0.665 -6.020 5.162) 7.958 5.230 ( 0.665 6.020 5.162) 7.958 5.597 ( 7.696 -6.370 11.661) 15.355 5.597 ( 7.696 6.370 11.661) 15.355 5.995 ( 9.176 -14.382 8.844) 19.216 5.995 ( 9.176 14.382 8.844) 19.216 6.391 ( -0.077 -11.116 0.363) 11.122 6.391 ( -0.077 11.116 0.363) 11.122 6.620 ( 5.934 -7.762 3.321) 10.320 6.620 ( 5.934 7.762 3.321) 10.320 7.043 ( 19.728 -6.673 7.383) 22.096 7.043 ( 19.728 6.673 7.383) 22.096 7.501 ( 0.566 -13.435 1.808) 13.568 7.501 ( 0.566 13.435 1.808) 13.568 8.119 ( -8.588 -20.216 23.942) 32.491 8.119 ( -8.588 20.216 23.942) 32.491 8.779 ( 3.841 -22.841 2.850) 23.337 8.779 ( 3.841 22.841 2.850) 23.337 9.027 ( -2.290 -6.064 5.906) 8.769 9.027 ( -2.290 6.064 5.906) 8.769 9.725 ( 8.346 -9.166 12.288) 17.454 9.725 ( 8.346 9.166 12.288) 17.454 11.424 ( -9.245 -20.845 -16.063) 27.892 11.424 ( -9.245 20.845 -16.063) 27.892 12.008 ( -3.268 -14.497 -11.439) 18.753 12.008 ( -3.268 14.497 -11.439) 18.753 12.553 ( -0.966 -5.043 6.451) 8.245 12.553 ( -0.966 5.043 6.451) 8.245 13.027 ( -0.424 -2.797 -0.449) 2.864 13.027 ( -0.424 2.797 -0.449) 2.864 16.622 ( -4.242 -7.443 9.039) 12.454 16.622 ( -4.242 7.443 9.039) 12.454 17.349 ( 11.105 -2.038 14.727) 18.557 17.349 ( 11.105 2.038 14.727) 18.557 17.622 ( 0.481 -28.985 3.841) 29.242 17.622 ( 0.481 28.985 3.841) 29.242 18.597 ( -8.289 -6.626 -11.156) 15.397 18.597 ( -8.289 6.626 -11.156) 15.397 25.583 ( 4.462 -14.006 7.010) 16.286 25.583 ( 4.462 14.006 7.010) 16.286 27.215 ( -4.619 -13.305 -9.711) 17.107 27.215 ( -4.619 13.305 -9.711) 17.107 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 7.078 -1.846 3.015) 7.912 2.075 ( 7.078 1.846 3.015) 7.912 2.521 ( 9.909 -28.926 5.602) 31.085 2.521 ( 9.909 28.926 5.602) 31.085 3.232 ( -0.458 -11.482 -6.224) 13.068 3.232 ( -0.458 11.482 -6.224) 13.068 3.404 ( -2.247 -10.458 -2.624) 11.014 3.404 ( -2.247 10.458 -2.624) 11.014 3.967 ( -1.384 -4.417 -2.875) 5.450 3.967 ( -1.384 4.417 -2.875) 5.450 4.292 ( 2.172 -1.810 -2.823) 3.995 4.292 ( 2.172 1.810 -2.823) 3.995 4.408 ( -0.785 -6.236 5.743) 8.514 4.408 ( -0.785 6.236 5.743) 8.514 4.752 ( 2.092 -2.505 3.933) 5.110 4.752 ( 2.092 2.505 3.933) 5.110 5.141 ( -0.945 -2.405 -1.644) 3.063 5.141 ( -0.945 2.405 -1.644) 3.063 5.336 ( 8.919 -2.379 3.553) 9.891 5.336 ( 8.919 2.379 3.553) 9.891 5.768 ( 8.111 -7.958 5.859) 12.784 5.768 ( 8.111 7.958 5.859) 12.784 6.179 ( 8.315 -13.548 8.901) 18.219 6.179 ( 8.315 13.548 8.901) 18.219 6.363 ( -1.369 -11.493 -2.477) 11.837 6.363 ( -1.369 11.493 -2.477) 11.837 6.760 ( 5.536 -12.504 2.090) 13.833 6.760 ( 5.536 12.504 2.090) 13.833 7.419 ( 6.037 -12.866 4.266) 14.839 7.419 ( 6.037 12.866 4.266) 14.839 7.659 ( 20.610 -2.681 1.994) 20.879 7.659 ( 20.610 2.681 1.994) 20.879 8.008 ( 1.577 -21.539 21.431) 30.425 8.008 ( 1.577 21.539 21.431) 30.425 8.859 ( 3.203 -13.472 7.720) 15.854 8.859 ( 3.203 13.472 7.720) 15.854 9.068 ( 9.383 -2.564 5.917) 11.385 9.068 ( 9.383 2.564 5.917) 11.385 9.918 ( 10.625 -12.159 6.452) 17.389 9.918 ( 10.625 12.159 6.452) 17.389 11.165 ( -16.105 -24.751 -19.482) 35.377 11.165 ( -16.105 24.751 -19.482) 35.377 11.890 ( -8.993 -15.284 -10.293) 20.504 11.890 ( -8.993 15.284 -10.293) 20.504 12.543 ( 0.462 -7.428 7.788) 10.772 12.543 ( 0.462 7.428 7.788) 10.772 13.001 ( -2.413 -3.318 1.981) 4.556 13.001 ( -2.413 3.318 1.981) 4.556 16.573 ( 0.026 -8.015 -3.994) 8.955 16.573 ( 0.026 8.015 -3.994) 8.955 17.547 ( 3.414 -14.009 2.847) 14.697 17.547 ( 3.414 14.009 2.847) 14.697 17.651 ( 5.604 -10.158 6.739) 13.416 17.651 ( 5.604 10.158 6.739) 13.416 18.380 ( -12.174 -0.856 -13.886) 18.487 18.380 ( -12.174 0.856 -13.886) 18.487 25.720 ( 9.258 -12.236 9.025) 17.801 25.720 ( 9.258 12.236 9.025) 17.801 27.078 ( -8.944 -14.034 -9.288) 19.058 27.078 ( -8.944 14.034 -9.288) 19.058 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 16.450 -3.791 -17.043) 23.988 2.334 ( 16.450 3.791 -17.043) 23.988 2.692 ( 7.294 -26.749 -5.174) 28.205 2.692 ( 7.294 26.749 -5.174) 28.205 3.038 ( -10.488 -25.376 -11.360) 29.715 3.038 ( -10.488 25.376 -11.360) 29.715 3.480 ( 3.955 -2.292 7.518) 8.798 3.480 ( 3.955 2.292 7.518) 8.798 3.915 ( -3.748 -3.560 -1.037) 5.272 3.915 ( -3.748 3.560 -1.037) 5.272 4.224 ( -10.018 -0.793 1.305) 10.134 4.224 ( -10.018 0.793 1.305) 10.134 4.461 ( 4.908 -8.308 -6.289) 11.518 4.461 ( 4.908 8.308 -6.289) 11.518 4.696 ( -5.507 -2.164 -4.926) 7.699 4.696 ( -5.507 2.164 -4.926) 7.699 5.236 ( 10.227 -3.710 -2.053) 11.071 5.236 ( 10.227 3.710 -2.053) 11.071 5.515 ( 7.840 -3.450 0.802) 8.603 5.515 ( 7.840 3.450 0.802) 8.603 5.895 ( 4.457 -9.058 1.344) 10.184 5.895 ( 4.457 9.058 1.344) 10.184 6.241 ( -3.400 -10.668 -5.125) 12.314 6.241 ( -3.400 10.668 -5.125) 12.314 6.417 ( 6.912 -9.601 10.229) 15.639 6.417 ( 6.912 9.601 10.229) 15.639 6.771 ( -2.954 -9.255 3.283) 10.255 6.771 ( -2.954 9.255 3.283) 10.255 7.537 ( 7.419 -0.928 2.346) 7.837 7.537 ( 7.419 0.928 2.346) 7.837 7.828 ( -0.539 -12.891 25.116) 28.236 7.828 ( -0.539 12.891 25.116) 28.236 8.307 ( 19.971 -13.078 1.286) 23.907 8.307 ( 19.971 13.078 1.286) 23.907 8.898 ( 0.629 -4.434 9.824) 10.796 8.898 ( 0.629 4.434 9.824) 10.796 9.445 ( 25.270 -7.621 0.734) 26.404 9.445 ( 25.270 7.621 0.734) 26.404 10.176 ( 16.363 -14.268 -0.196) 21.711 10.176 ( 16.363 14.268 -0.196) 21.711 10.799 ( -19.630 -28.444 -21.549) 40.728 10.799 ( -19.630 28.444 -21.549) 40.728 11.632 ( -16.938 -15.368 -8.356) 24.349 11.632 ( -16.938 15.368 -8.356) 24.349 12.582 ( 3.440 -7.621 8.426) 11.870 12.582 ( 3.440 7.621 8.426) 11.870 12.925 ( -5.065 -3.820 4.670) 7.878 12.925 ( -5.065 3.820 4.670) 7.878 16.639 ( 6.796 -7.397 -16.948) 19.701 16.639 ( 6.796 7.397 -16.948) 19.701 17.446 ( -10.989 -10.714 -14.671) 21.232 17.446 ( -10.989 10.714 -14.671) 21.232 17.823 ( 8.247 -18.218 6.684) 21.085 17.823 ( 8.247 18.218 6.684) 21.085 18.163 ( -8.256 -14.772 -9.095) 19.211 18.163 ( -8.256 14.772 -9.095) 19.211 25.952 ( 13.587 -11.581 7.130) 19.224 25.952 ( 13.587 11.581 7.130) 19.224 26.858 ( -12.787 -14.381 -7.600) 20.690 26.858 ( -12.787 14.381 -7.600) 20.690 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 7.935 -18.487 -21.984) 29.800 2.590 ( 7.935 18.487 -21.984) 29.800 2.726 ( -5.924 -22.322 -18.514) 29.600 2.726 ( -5.924 22.322 -18.514) 29.600 3.092 ( 18.321 -17.686 -4.955) 25.942 3.092 ( 18.321 17.686 -4.955) 25.942 3.449 ( -10.688 -6.198 1.864) 12.495 3.449 ( -10.688 6.198 1.864) 12.495 3.855 ( 0.037 -3.198 1.601) 3.577 3.855 ( 0.037 3.198 1.601) 3.577 3.968 ( -11.172 -2.588 -0.102) 11.468 3.968 ( -11.172 2.588 -0.102) 11.468 4.553 ( 3.858 -6.371 -10.644) 12.991 4.553 ( 3.858 6.371 -10.644) 12.991 4.616 ( -2.809 -5.820 -10.990) 12.749 4.616 ( -2.809 5.820 -10.990) 12.749 5.466 ( 10.801 -2.618 -0.698) 11.135 5.466 ( 10.801 2.618 -0.698) 11.135 5.599 ( -1.020 -1.975 -1.303) 2.577 5.599 ( -1.020 1.975 -1.303) 2.577 5.973 ( 4.592 -9.098 -2.033) 10.392 5.973 ( 4.592 9.098 -2.033) 10.392 6.106 ( -8.156 -8.735 -5.603) 13.199 6.106 ( -8.156 8.735 -5.603) 13.199 6.571 ( 7.676 -10.122 11.066) 16.848 6.571 ( 7.676 10.122 11.066) 16.848 6.699 ( -4.649 -8.503 8.602) 12.958 6.699 ( -4.649 8.503 8.602) 12.958 7.675 ( 5.862 -11.072 8.187) 14.966 7.675 ( 5.862 11.072 8.187) 14.966 7.775 ( -4.089 -13.554 17.046) 22.158 7.775 ( -4.089 13.554 17.046) 22.158 8.655 ( 14.182 -7.793 9.071) 18.552 8.655 ( 14.182 7.793 9.071) 18.552 8.856 ( -5.657 -4.504 11.851) 13.883 8.856 ( -5.657 4.504 11.851) 13.883 9.929 ( 21.717 -24.089 -12.288) 34.683 9.929 ( 21.717 24.089 -12.288) 34.683 10.340 ( -17.993 -29.814 -21.626) 40.992 10.340 ( -17.993 29.814 -21.626) 40.992 10.674 ( 24.433 -11.422 -3.279) 27.170 10.674 ( 24.433 11.422 -3.279) 27.170 11.208 ( -24.981 -14.602 -5.935) 29.538 11.208 ( -24.981 14.602 -5.935) 29.538 12.678 ( 5.860 -6.195 8.114) 11.771 12.678 ( 5.860 6.195 8.114) 11.771 12.806 ( -6.529 -4.677 6.850) 10.555 12.806 ( -6.529 4.677 6.850) 10.555 16.846 ( 13.467 -5.381 -25.618) 29.438 16.846 ( 13.467 5.381 -25.618) 29.438 17.156 ( -16.377 -1.089 -25.783) 30.564 17.156 ( -16.377 1.089 -25.783) 30.564 17.957 ( 5.206 -24.239 2.946) 24.966 17.957 ( 5.206 24.239 2.946) 24.966 18.046 ( -4.294 -24.551 -1.369) 24.961 18.046 ( -4.294 24.551 -1.369) 24.961 26.253 ( 15.899 -12.453 1.810) 20.276 26.253 ( 15.899 12.453 1.810) 20.276 26.572 ( -15.454 -13.771 -3.821) 21.049 26.572 ( -15.454 13.771 -3.821) 21.049 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 0.000 0.000 13.197) 13.197 1.902 ( 0.000 0.000 -1.953) 1.953 2.153 ( 0.000 0.000 31.334) 31.334 2.774 ( 0.000 0.000 20.490) 20.490 2.972 ( 0.000 0.000 25.679) 25.679 3.458 ( 0.000 0.000 0.004) 0.004 3.553 ( 0.000 0.000 33.862) 33.862 3.609 ( 0.000 0.000 6.700) 6.700 3.759 ( 0.000 0.000 -8.305) 8.305 3.931 ( 0.000 0.000 0.506) 0.506 4.218 ( 0.000 0.000 11.989) 11.989 4.304 ( 0.000 0.000 1.638) 1.638 4.339 ( 0.000 0.000 2.600) 2.600 4.360 ( 0.000 0.000 -7.208) 7.208 4.512 ( 0.000 0.000 14.014) 14.014 4.690 ( 0.000 0.000 18.874) 18.874 4.822 ( 0.000 0.000 13.180) 13.180 5.029 ( 0.000 0.000 -16.180) 16.180 5.043 ( 0.000 0.000 2.177) 2.177 5.208 ( 0.000 0.000 -4.570) 4.570 5.409 ( 0.000 0.000 26.749) 26.749 5.844 ( 0.000 0.000 -2.769) 2.769 5.939 ( 0.000 0.000 13.917) 13.917 5.946 ( 0.000 0.000 -3.953) 3.953 6.050 ( 0.000 0.000 6.596) 6.596 6.509 ( 0.000 0.000 -20.995) 20.995 6.575 ( 0.000 0.000 3.225) 3.225 6.747 ( 0.000 0.000 -2.498) 2.498 6.969 ( 0.000 0.000 22.777) 22.777 7.229 ( 0.000 0.000 5.463) 5.463 7.499 ( 0.000 0.000 13.304) 13.304 7.780 ( 0.000 0.000 26.941) 26.941 8.541 ( 0.000 0.000 19.783) 19.783 8.595 ( 0.000 0.000 -7.116) 7.116 8.935 ( 0.000 0.000 -21.039) 21.039 8.977 ( 0.000 0.000 -13.578) 13.578 9.278 ( 0.000 0.000 14.360) 14.360 9.535 ( 0.000 0.000 -15.154) 15.154 9.744 ( 0.000 0.000 -18.614) 18.614 10.037 ( 0.000 0.000 45.751) 45.751 10.735 ( 0.000 0.000 25.056) 25.056 10.834 ( 0.000 0.000 -19.213) 19.213 11.960 ( 0.000 0.000 -14.157) 14.157 12.301 ( 0.000 0.000 -21.496) 21.496 12.647 ( 0.000 0.000 7.142) 7.142 12.918 ( 0.000 0.000 3.939) 3.939 13.029 ( 0.000 0.000 -0.380) 0.380 13.087 ( 0.000 0.000 -5.716) 5.716 16.128 ( 0.000 0.000 9.550) 9.550 16.637 ( 0.000 0.000 -5.762) 5.762 16.770 ( 0.000 0.000 21.043) 21.043 17.336 ( 0.000 0.000 22.367) 22.367 17.665 ( 0.000 0.000 22.861) 22.861 18.126 ( 0.000 0.000 -9.721) 9.721 18.640 ( 0.000 0.000 -1.781) 1.781 18.714 ( 0.000 0.000 -17.263) 17.263 25.552 ( 0.000 0.000 17.172) 17.172 26.523 ( 0.000 0.000 17.690) 17.690 26.635 ( 0.000 0.000 -15.135) 15.135 27.750 ( 0.000 0.000 -14.337) 14.337 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 2.844 0.000 12.267) 12.592 1.910 ( 0.677 0.000 -1.780) 1.905 2.145 ( -1.408 0.000 24.449) 24.490 2.705 ( -8.672 0.000 22.943) 24.527 3.112 ( 12.106 0.000 21.886) 25.011 3.372 ( -8.468 0.000 2.276) 8.768 3.547 ( -1.285 0.000 26.826) 26.857 3.600 ( -0.773 0.000 7.234) 7.275 3.774 ( 0.835 0.000 -6.107) 6.164 3.938 ( 1.974 0.000 -2.022) 2.826 4.130 ( -7.585 0.000 1.751) 7.784 4.230 ( -3.706 0.000 -5.392) 6.543 4.376 ( 5.264 0.000 -0.109) 5.266 4.446 ( -2.504 0.000 9.769) 10.084 4.511 ( -4.408 0.000 0.956) 4.510 4.743 ( 4.130 0.000 11.695) 12.403 4.770 ( 8.895 0.000 19.081) 21.052 5.017 ( 1.003 0.000 0.325) 1.054 5.144 ( 5.706 0.000 -0.702) 5.749 5.199 ( -2.180 0.000 -9.637) 9.881 5.304 ( -8.366 0.000 17.667) 19.548 5.831 ( -8.471 0.000 3.761) 9.268 5.884 ( 2.644 0.000 -0.934) 2.804 5.958 ( 0.531 0.000 -4.800) 4.829 6.135 ( 3.769 0.000 11.623) 12.219 6.472 ( -7.711 0.000 5.368) 9.396 6.476 ( -5.847 0.000 -5.393) 7.954 6.861 ( -7.442 0.000 6.806) 10.085 6.972 ( 23.347 0.000 2.458) 23.476 7.310 ( 7.530 0.000 5.580) 9.372 7.514 ( 5.572 0.000 6.181) 8.321 7.843 ( 5.757 0.000 23.549) 24.242 8.484 ( -22.018 0.000 -15.916) 27.169 8.750 ( 17.239 0.000 19.445) 25.986 8.800 ( 17.839 0.000 0.645) 17.851 9.165 ( -12.435 0.000 -7.431) 14.486 9.363 ( 17.530 0.000 -10.862) 20.623 9.424 ( -8.340 0.000 1.136) 8.417 9.804 ( 3.818 0.000 -13.146) 13.689 10.082 ( 4.422 0.000 41.480) 41.715 10.659 ( -5.093 0.000 12.512) 13.509 10.845 ( -0.382 0.000 -8.392) 8.400 11.918 ( -4.116 0.000 -14.876) 15.435 12.269 ( -3.357 0.000 -21.057) 21.323 12.583 ( -5.255 0.000 9.298) 10.680 12.931 ( 0.851 0.000 3.416) 3.520 12.970 ( -3.454 0.000 -1.485) 3.760 13.129 ( 2.202 0.000 -2.967) 3.695 16.138 ( 1.001 0.000 8.915) 8.971 16.534 ( -15.951 0.000 13.779) 21.078 16.635 ( -3.475 0.000 -2.896) 4.524 17.172 ( -14.107 0.000 17.854) 22.754 17.747 ( -7.283 0.000 -5.281) 8.997 18.012 ( 4.231 0.000 14.108) 14.729 18.527 ( -18.081 0.000 -20.569) 27.386 18.779 ( 9.958 0.000 -1.060) 10.015 25.685 ( 10.911 0.000 13.468) 17.333 26.562 ( 3.845 0.000 17.063) 17.491 26.593 ( -4.225 0.000 -13.940) 14.566 27.722 ( -2.807 0.000 -13.823) 14.106 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 4.803 0.000 9.596) 10.731 1.924 ( 0.577 0.000 -1.306) 1.428 2.078 ( -5.470 0.000 12.714) 13.840 2.408 ( -18.221 0.000 18.463) 25.940 3.110 ( -14.034 0.000 -16.481) 21.646 3.283 ( -2.461 0.000 19.553) 19.707 3.558 ( 1.837 0.000 7.178) 7.410 3.687 ( -7.772 0.000 0.538) 7.790 3.698 ( 9.292 0.000 6.611) 11.404 3.886 ( -8.345 0.000 -4.861) 9.657 4.000 ( -3.474 0.000 7.513) 8.277 4.156 ( 1.623 0.000 -7.351) 7.528 4.441 ( 2.177 0.000 1.924) 2.905 4.452 ( -0.793 0.000 -6.206) 6.256 4.494 ( 4.005 0.000 0.815) 4.087 4.846 ( 0.833 0.000 1.056) 1.345 4.870 ( -27.552 0.000 -17.139) 32.448 4.913 ( 3.357 0.000 14.097) 14.491 5.097 ( 8.204 0.000 8.353) 11.708 5.217 ( 0.780 0.000 4.354) 4.423 5.357 ( 15.547 0.000 8.626) 17.780 5.772 ( 2.435 0.000 0.366) 2.462 5.865 ( -8.805 0.000 -5.830) 10.560 5.940 ( 1.256 0.000 0.580) 1.384 6.183 ( -12.714 0.000 17.957) 22.002 6.246 ( 8.494 0.000 16.803) 18.828 6.515 ( 5.936 0.000 -12.491) 13.830 6.754 ( -4.385 0.000 -8.004) 9.126 7.479 ( 17.016 0.000 -12.872) 21.336 7.501 ( 10.148 0.000 4.285) 11.015 7.768 ( 19.006 0.000 3.560) 19.336 7.862 ( -3.997 0.000 19.708) 20.109 8.286 ( 8.070 0.000 4.500) 9.240 8.772 ( -24.685 0.000 -32.465) 40.784 9.133 ( 19.185 0.000 15.600) 24.727 9.239 ( 24.190 0.000 11.268) 26.685 9.257 ( -7.945 0.000 21.225) 22.663 9.670 ( 13.779 0.000 -1.177) 13.830 9.810 ( -4.981 0.000 -0.941) 5.069 10.209 ( 8.125 0.000 31.802) 32.824 10.615 ( 1.486 0.000 -4.571) 4.807 10.806 ( -2.698 0.000 -0.005) 2.698 11.798 ( -7.651 0.000 -16.240) 17.952 12.154 ( -8.515 0.000 -19.365) 21.155 12.492 ( -2.817 0.000 10.932) 11.289 12.881 ( -3.986 0.000 -1.674) 4.323 12.974 ( 1.858 0.000 4.388) 4.765 13.152 ( 0.026 0.000 -0.826) 0.826 16.163 ( -2.376 0.000 8.088) 8.430 16.193 ( -11.366 0.000 4.045) 12.064 16.571 ( -3.764 0.000 -5.141) 6.372 16.869 ( -14.123 0.000 5.250) 15.067 17.336 ( -25.868 0.000 -23.807) 35.156 18.033 ( -29.350 0.000 -27.293) 40.079 18.316 ( 18.148 0.000 21.809) 28.372 18.961 ( 7.496 0.000 0.551) 7.516 25.891 ( 8.080 0.000 7.745) 11.193 26.470 ( -7.714 0.000 -11.403) 13.768 26.675 ( 7.266 0.000 14.707) 16.404 27.635 ( -5.864 0.000 -12.106) 13.452 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 5.263 0.000 5.538) 7.640 1.926 ( -0.618 0.000 -0.693) 0.928 1.949 ( -5.448 0.000 0.854) 5.514 2.144 ( -3.886 0.000 -4.887) 6.244 2.739 ( -22.446 0.000 -24.420) 33.168 3.232 ( 0.491 0.000 4.947) 4.972 3.514 ( -6.240 0.000 -16.400) 17.548 3.614 ( -0.292 0.000 1.140) 1.176 3.685 ( -5.677 0.000 -2.668) 6.273 3.725 ( -3.836 0.000 -7.792) 8.685 3.934 ( -39.910 0.000 -26.471) 47.891 4.040 ( -0.342 0.000 -0.120) 0.362 4.399 ( 18.114 0.000 2.703) 18.314 4.566 ( 2.898 0.000 -0.611) 2.962 4.570 ( 10.821 0.000 -7.133) 12.960 4.660 ( -0.024 0.000 -3.777) 3.777 4.784 ( -4.202 0.000 -4.457) 6.125 4.980 ( 3.893 0.000 17.085) 17.523 5.278 ( 5.106 0.000 -0.708) 5.155 5.281 ( 7.726 0.000 3.113) 8.329 5.610 ( -10.219 0.000 -13.535) 16.959 5.680 ( 11.129 0.000 9.434) 14.589 5.780 ( -3.869 0.000 -6.191) 7.301 5.989 ( 3.211 0.000 2.061) 3.816 6.033 ( -2.433 0.000 6.577) 7.013 6.476 ( 13.769 0.000 18.081) 22.727 6.623 ( -5.125 0.000 -1.414) 5.317 6.675 ( 4.910 0.000 -9.777) 10.941 7.354 ( -15.632 0.000 -7.084) 17.162 7.589 ( -7.505 0.000 -10.694) 13.065 8.116 ( 19.011 0.000 19.515) 27.245 8.230 ( 25.155 0.000 2.490) 25.278 8.347 ( -9.851 0.000 -20.994) 23.191 8.536 ( 10.641 0.000 6.616) 12.530 9.047 ( -11.316 0.000 18.632) 21.799 9.538 ( 15.101 0.000 16.345) 22.253 9.610 ( -9.390 0.000 5.959) 11.121 9.684 ( 17.785 0.000 19.482) 26.380 9.944 ( 12.215 0.000 5.469) 13.384 10.445 ( 17.935 0.000 18.994) 26.123 10.570 ( -8.882 0.000 -9.235) 12.813 10.873 ( 10.658 0.000 -1.852) 10.818 11.617 ( -10.280 0.000 -16.686) 19.598 11.911 ( -15.981 0.000 -15.720) 22.417 12.488 ( 2.462 0.000 9.335) 9.654 12.798 ( -4.381 0.000 -0.063) 4.382 13.011 ( 1.751 0.000 4.532) 4.859 13.132 ( -1.840 0.000 1.204) 2.199 15.953 ( -6.143 0.000 -8.883) 10.801 16.223 ( 2.708 0.000 2.910) 3.975 16.478 ( -5.729 0.000 -5.172) 7.718 16.656 ( -6.198 0.000 -9.947) 11.720 16.811 ( -24.537 0.000 -26.589) 36.181 17.423 ( -29.478 0.000 -31.904) 43.437 18.659 ( 15.400 0.000 15.395) 21.775 19.064 ( 2.550 0.000 2.368) 3.480 25.998 ( 3.157 0.000 2.758) 4.192 26.300 ( -8.651 0.000 -8.840) 12.368 26.848 ( 9.879 0.000 9.991) 14.051 27.487 ( -8.817 0.000 -8.725) 12.404 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 5.299 0.000 1.661) 5.553 1.890 ( -3.091 0.000 0.460) 3.125 1.960 ( 8.230 0.000 -13.373) 15.703 2.275 ( -21.560 0.000 -22.774) 31.361 2.343 ( 23.449 0.000 -30.203) 38.237 3.006 ( -39.344 0.000 -40.235) 56.274 3.322 ( 7.840 0.000 -6.088) 9.926 3.508 ( -9.763 0.000 -7.236) 12.152 3.551 ( 0.167 0.000 -10.236) 10.237 3.593 ( -2.591 0.000 -9.127) 9.487 3.805 ( 7.990 0.000 -8.060) 11.350 3.964 ( -6.602 0.000 -5.664) 8.699 4.615 ( 2.126 0.000 -1.237) 2.459 4.631 ( 6.234 0.000 -6.078) 8.706 4.650 ( -1.229 0.000 -2.388) 2.685 4.712 ( -2.847 0.000 -5.102) 5.843 4.871 ( 14.777 0.000 -10.394) 18.066 5.049 ( -0.352 0.000 5.474) 5.485 5.360 ( 0.091 0.000 3.691) 3.692 5.385 ( -6.721 0.000 -5.730) 8.833 5.419 ( 8.943 0.000 -6.072) 10.810 5.622 ( -10.351 0.000 -9.693) 14.181 5.954 ( 11.605 0.000 0.913) 11.641 6.033 ( 0.133 0.000 5.909) 5.911 6.072 ( 8.244 0.000 -4.215) 9.259 6.387 ( -16.307 0.000 -5.558) 17.228 6.768 ( 14.658 0.000 16.389) 21.988 6.862 ( 12.531 0.000 -8.071) 14.905 7.055 ( -14.160 0.000 8.972) 16.763 7.210 ( -22.122 0.000 -21.386) 30.769 8.432 ( 12.476 0.000 4.863) 13.390 8.449 ( 13.264 0.000 13.563) 18.971 8.617 ( -2.729 0.000 8.777) 9.192 8.638 ( 2.777 0.000 8.122) 8.584 8.889 ( 7.144 0.000 10.235) 12.482 9.252 ( -19.370 0.000 6.861) 20.549 9.949 ( 9.358 0.000 21.221) 23.193 9.953 ( 19.368 0.000 9.106) 21.402 10.058 ( -0.801 0.000 16.488) 16.508 10.312 ( -15.908 0.000 0.831) 15.930 10.952 ( 29.203 0.000 0.640) 29.210 11.130 ( 13.479 0.000 -10.863) 17.311 11.390 ( -12.224 0.000 -15.110) 19.435 11.505 ( -24.431 0.000 -9.557) 26.234 12.577 ( 5.800 0.000 6.172) 8.470 12.698 ( -5.725 0.000 2.744) 6.348 13.047 ( 1.882 0.000 4.011) 4.430 13.089 ( -2.275 0.000 2.889) 3.677 15.961 ( 6.955 0.000 -21.101) 22.218 16.188 ( -11.463 0.000 -18.673) 21.910 16.369 ( 0.392 0.000 -3.550) 3.572 16.466 ( -8.579 0.000 -8.098) 11.798 16.650 ( 6.166 0.000 -22.895) 23.710 16.914 ( -19.960 0.000 -30.711) 36.627 18.918 ( 10.021 0.000 9.346) 13.703 19.055 ( -3.607 0.000 5.042) 6.199 26.052 ( 3.118 0.000 -2.042) 3.727 26.145 ( -6.327 0.000 -5.987) 8.711 27.063 ( 11.210 0.000 3.414) 11.718 27.287 ( -10.830 0.000 -3.363) 11.340 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 6.971 16.609) 18.012 2.261 ( 0.000 9.767 29.480) 31.056 2.308 ( 0.000 29.040 -10.318) 30.818 2.754 ( 0.000 -1.624 20.992) 21.055 2.994 ( 0.000 -1.408 23.514) 23.556 3.420 ( 0.000 -9.117 23.486) 25.193 3.492 ( 0.000 0.381 3.222) 3.245 3.583 ( 0.000 -4.953 3.721) 6.195 3.706 ( 0.000 -2.429 -4.694) 5.285 3.974 ( 0.000 6.394 2.232) 6.772 4.111 ( 0.000 -7.802 -1.958) 8.044 4.186 ( 0.000 -3.412 -1.358) 3.673 4.380 ( 0.000 5.292 7.404) 9.101 4.523 ( 0.000 5.623 0.533) 5.648 4.680 ( 0.000 1.299 18.884) 18.929 4.783 ( 0.000 21.104 5.372) 21.777 4.853 ( 0.000 1.792 11.350) 11.491 4.971 ( 0.000 -2.550 9.134) 9.483 5.072 ( 0.000 6.097 -4.538) 7.601 5.249 ( 0.000 4.269 -4.439) 6.159 5.677 ( 0.000 11.054 9.681) 14.694 5.853 ( 0.000 -4.095 10.978) 11.717 5.909 ( 0.000 1.791 4.158) 4.528 5.982 ( 0.000 7.292 3.938) 8.288 6.059 ( 0.000 1.603 4.160) 4.458 6.476 ( 0.000 -5.619 9.374) 10.929 6.490 ( 0.000 -1.512 -18.435) 18.497 6.760 ( 0.000 -4.738 2.894) 5.552 6.971 ( 0.000 4.810 -1.514) 5.043 7.191 ( 0.000 -4.125 4.731) 6.277 7.420 ( 0.000 -6.231 12.266) 13.758 8.031 ( 0.000 20.081 36.951) 42.055 8.350 ( 0.000 -6.296 7.437) 9.744 8.524 ( 0.000 -26.123 -9.322) 27.736 8.829 ( 0.000 8.323 4.598) 9.508 8.909 ( 0.000 -2.029 -17.997) 18.111 9.404 ( 0.000 2.630 20.475) 20.643 9.476 ( 0.000 -6.583 -10.432) 12.335 10.053 ( 0.000 1.038 42.087) 42.100 10.075 ( 0.000 25.586 -23.503) 34.742 10.619 ( 0.000 -10.336 25.055) 27.103 10.947 ( 0.000 10.706 -20.453) 23.086 11.877 ( 0.000 -7.641 -14.698) 16.566 12.240 ( 0.000 -5.919 -20.419) 21.260 12.613 ( 0.000 -2.227 6.734) 7.093 12.880 ( 0.000 -3.488 3.951) 5.270 13.014 ( 0.000 -1.131 -0.329) 1.178 13.063 ( 0.000 -1.941 -5.371) 5.711 16.368 ( 0.000 21.486 8.598) 23.142 16.790 ( 0.000 7.730 12.122) 14.377 16.853 ( 0.000 12.207 3.630) 12.735 17.300 ( 0.000 -3.180 22.157) 22.384 17.665 ( 0.000 -0.189 22.088) 22.089 18.170 ( 0.000 3.966 -10.836) 11.539 18.538 ( 0.000 -9.324 -1.861) 9.507 18.684 ( 0.000 -3.095 -16.373) 16.663 25.518 ( 0.000 -1.842 18.106) 18.200 26.404 ( 0.000 -10.518 17.147) 20.115 26.664 ( 0.000 2.747 -15.409) 15.652 27.630 ( 0.000 -10.709 -14.530) 18.050 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -3.612 3.920 14.394) 15.350 2.226 ( -8.054 23.149 -11.097) 26.905 2.264 ( -1.278 8.860 24.748) 26.317 2.676 ( -9.127 -2.309 22.955) 24.811 3.159 ( 14.876 -0.734 24.079) 28.313 3.426 ( -6.078 4.864 -5.423) 9.487 3.441 ( 0.915 -7.846 21.817) 23.203 3.611 ( -0.623 0.503 6.676) 6.724 3.670 ( 1.941 -8.440 -2.306) 8.962 4.021 ( 1.369 6.482 -4.764) 8.161 4.111 ( 0.506 -1.974 -1.306) 2.421 4.185 ( -0.820 -2.714 -3.809) 4.749 4.402 ( 1.886 4.364 3.395) 5.842 4.478 ( -3.465 8.730 1.100) 9.456 4.702 ( -1.859 0.774 5.117) 5.499 4.789 ( 4.423 2.981 11.342) 12.533 4.886 ( 3.822 11.738 15.023) 19.444 5.030 ( -2.220 -1.431 0.320) 2.661 5.048 ( 6.580 8.026 9.006) 13.741 5.236 ( -3.013 3.636 -8.383) 9.622 5.601 ( -1.775 14.569 8.045) 16.737 5.781 ( -3.441 -3.451 7.946) 9.322 5.925 ( -7.062 1.194 -4.157) 8.282 5.996 ( 4.205 7.262 -0.329) 8.398 6.205 ( 7.640 5.843 11.286) 14.828 6.399 ( -4.693 -5.826 5.160) 9.088 6.470 ( -1.721 -0.057 -9.397) 9.553 6.808 ( 1.748 -5.359 4.492) 7.207 7.057 ( 10.926 5.986 -0.976) 12.496 7.255 ( 6.889 -4.363 3.749) 8.975 7.483 ( 6.114 -1.405 10.399) 12.144 7.978 ( 0.576 10.597 27.732) 29.693 8.241 ( -18.523 -15.714 -11.313) 26.796 8.551 ( 16.894 -7.857 10.380) 21.328 8.967 ( 12.900 3.590 10.217) 16.843 9.131 ( 10.200 -3.940 -4.165) 11.701 9.422 ( 3.866 1.569 10.029) 10.862 9.437 ( -5.086 -1.232 -8.881) 10.308 9.936 ( -10.683 13.712 -13.648) 22.100 10.106 ( 3.365 3.333 33.258) 33.593 10.584 ( -2.209 -8.935 20.353) 22.338 10.943 ( -1.043 10.980 -18.182) 21.266 11.824 ( -5.170 -8.592 -15.442) 18.412 12.207 ( -3.461 -5.998 -20.115) 21.274 12.567 ( -3.752 -0.803 8.349) 9.189 12.890 ( 0.686 -3.675 3.235) 4.944 12.967 ( -2.543 -0.129 -1.097) 2.773 13.107 ( 2.325 -1.927 -2.744) 4.081 16.374 ( 0.431 20.840 8.438) 22.488 16.598 ( -16.206 5.538 15.926) 23.387 16.823 ( -1.600 15.770 -5.365) 16.734 17.146 ( -13.596 -1.932 17.792) 22.475 17.768 ( -4.112 1.423 -1.500) 4.603 18.013 ( -0.046 0.025 9.063) 9.063 18.491 ( -17.189 -3.205 -19.960) 26.535 18.694 ( 9.278 -7.903 -1.131) 12.240 25.637 ( 10.021 -3.062 15.044) 18.333 26.443 ( 3.831 -10.464 16.558) 19.959 26.621 ( -4.252 2.691 -14.280) 15.141 27.600 ( -2.956 -10.855 -13.996) 17.956 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 1.887 -1.420 5.904) 6.359 1.992 ( -14.918 9.483 -12.607) 21.712 2.166 ( -8.392 4.969 16.680) 19.321 2.384 ( -17.277 -1.796 17.562) 24.701 3.264 ( -8.201 6.530 -7.140) 12.684 3.385 ( 0.794 6.723 6.539) 9.412 3.510 ( 4.961 -3.857 8.971) 10.953 3.686 ( -0.471 -1.764 -2.395) 3.012 3.714 ( 14.259 -1.379 10.151) 17.557 3.973 ( -6.361 6.612 -4.619) 10.272 4.051 ( -7.855 3.000 -4.431) 9.504 4.162 ( -0.497 4.810 -4.022) 6.290 4.390 ( 0.489 -2.545 -1.797) 3.153 4.503 ( -3.056 2.409 -6.371) 7.465 4.640 ( -1.177 4.929 2.026) 5.457 4.835 ( -2.381 0.502 1.026) 2.641 4.933 ( -17.138 2.257 -6.658) 18.524 5.009 ( 4.588 13.034 12.286) 18.490 5.067 ( 9.552 3.633 3.679) 10.862 5.299 ( 11.311 5.853 10.102) 16.256 5.642 ( 6.472 21.753 3.490) 22.962 5.740 ( 0.375 -2.037 3.299) 3.895 5.877 ( 1.769 -4.161 1.183) 4.674 5.997 ( -5.674 11.201 -6.095) 13.958 6.253 ( -3.813 5.177 10.886) 12.643 6.380 ( 5.835 7.187 14.396) 17.115 6.476 ( 3.748 -1.841 -10.069) 10.901 6.740 ( -6.220 2.217 -3.099) 7.294 7.267 ( 7.288 -11.343 9.560) 16.527 7.495 ( 6.978 -2.164 -17.974) 19.403 7.667 ( 13.035 -7.640 3.732) 15.563 8.032 ( 5.441 6.582 15.538) 17.730 8.141 ( 13.488 -3.640 9.652) 16.981 8.942 ( 17.880 -8.031 10.387) 22.183 9.104 ( -9.508 15.652 -13.751) 22.902 9.239 ( -4.930 -1.427 16.581) 17.357 9.313 ( 11.908 2.394 10.057) 15.770 9.614 ( 12.827 -5.673 -0.640) 14.040 9.712 ( -9.355 -4.474 -0.937) 10.412 10.204 ( 6.320 -0.211 29.629) 30.296 10.589 ( 3.802 -8.366 8.671) 12.634 10.882 ( -5.445 11.318 -14.355) 19.074 11.676 ( -9.318 -11.005 -16.801) 22.141 12.091 ( -8.431 -5.989 -18.975) 21.611 12.504 ( -1.644 1.509 9.976) 10.223 12.874 ( -2.410 -1.121 -0.900) 2.806 12.954 ( 1.137 -1.186 4.012) 4.336 13.133 ( 0.178 -1.699 -0.671) 1.835 16.245 ( -14.566 5.794 6.279) 16.886 16.413 ( 0.986 20.981 5.247) 21.649 16.781 ( -2.899 14.193 -5.973) 15.669 16.846 ( -14.120 2.018 6.285) 15.587 17.375 ( -25.636 3.340 -23.239) 34.762 18.013 ( -28.517 -1.730 -26.586) 39.026 18.279 ( 16.870 -3.748 20.152) 26.547 18.864 ( 6.938 -9.164 0.652) 11.512 25.837 ( 8.463 -3.857 9.562) 13.338 26.497 ( -7.470 2.678 -11.358) 13.856 26.555 ( 6.817 -10.588 13.823) 18.699 27.510 ( -6.082 -11.200 -12.264) 17.688 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -0.230 -5.175 2.497) 5.750 1.657 ( -17.100 -4.128 -11.037) 20.767 2.025 ( -0.605 2.254 -5.026) 5.542 2.143 ( -2.749 0.196 -5.928) 6.537 3.046 ( -14.998 12.694 -17.322) 26.194 3.349 ( -2.505 5.058 -8.310) 10.046 3.596 ( 2.168 0.275 -4.393) 4.907 3.635 ( -7.879 1.678 -7.611) 11.082 3.779 ( -7.278 5.321 -0.273) 9.020 3.800 ( -9.056 11.646 -3.613) 15.189 3.953 ( -14.421 1.744 -9.659) 17.445 4.115 ( -6.287 4.962 0.871) 8.056 4.263 ( 6.731 -7.762 -9.749) 14.164 4.439 ( 2.519 -6.704 -3.034) 7.777 4.697 ( 0.097 1.886 -3.184) 3.702 4.761 ( 2.945 3.302 -5.705) 7.220 4.824 ( 2.698 9.313 6.674) 11.771 5.142 ( 7.289 12.606 8.018) 16.623 5.291 ( 9.574 5.504 5.228) 12.219 5.479 ( 5.509 8.953 4.036) 11.260 5.667 ( -7.549 3.107 -6.913) 10.697 5.846 ( 8.217 14.483 0.479) 16.659 5.871 ( -1.429 12.125 -0.262) 12.212 5.951 ( 5.546 -0.468 0.119) 5.567 6.146 ( -5.150 10.215 4.845) 12.424 6.532 ( 5.816 1.357 4.848) 7.692 6.575 ( 1.037 -3.406 -1.161) 3.745 6.690 ( 7.544 6.067 1.147) 9.749 7.235 ( -10.686 -8.057 -2.219) 13.566 7.564 ( 6.944 -5.227 -1.317) 8.791 7.970 ( 8.431 -9.032 2.888) 12.689 8.265 ( 8.268 7.523 3.810) 11.810 8.439 ( 15.281 4.117 2.781) 16.068 8.742 ( -11.061 14.837 -9.021) 20.588 9.058 ( -4.553 1.217 14.298) 15.054 9.379 ( -6.583 -12.504 11.311) 18.101 9.469 ( 17.768 -7.860 14.168) 24.046 9.746 ( 13.056 1.668 15.400) 20.258 9.887 ( 12.166 -6.659 4.946) 14.724 10.394 ( 14.965 -4.114 17.421) 23.332 10.713 ( -9.855 11.296 -10.130) 18.092 10.744 ( 9.697 -11.004 -1.454) 14.739 11.460 ( -11.959 -13.831 -17.036) 24.991 11.854 ( -15.493 -5.598 -15.892) 22.889 12.517 ( 2.890 2.806 9.001) 9.861 12.813 ( -3.591 1.372 0.159) 3.847 12.984 ( 1.642 -2.343 4.968) 5.733 13.114 ( -1.892 -1.624 1.374) 2.847 16.027 ( -5.770 6.263 -8.548) 12.066 16.447 ( 1.617 19.703 2.039) 19.874 16.605 ( -8.536 -1.227 -7.420) 11.376 16.725 ( -4.546 18.140 -9.317) 20.894 16.860 ( -22.369 4.834 -23.679) 32.931 17.421 ( -28.445 0.351 -30.866) 41.976 18.597 ( 14.175 -6.139 14.161) 20.956 18.961 ( 2.445 -9.895 2.335) 10.457 25.963 ( 4.526 -2.403 4.043) 6.527 26.326 ( -8.870 2.663 -9.108) 12.989 26.723 ( 9.572 -11.148 9.603) 17.553 27.357 ( -9.007 -11.572 -8.948) 17.179 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -5.983 -10.812 -0.277) 12.360 1.391 ( -7.386 -14.529 -13.569) 21.207 2.243 ( 19.971 9.309 -21.034) 30.462 2.339 ( 21.099 0.184 -27.912) 34.990 2.673 ( -21.067 16.406 -19.456) 33.038 2.941 ( -34.979 -5.039 -37.190) 51.303 3.498 ( 3.208 7.702 -7.880) 11.477 3.621 ( -6.896 4.858 -5.137) 9.877 3.652 ( -1.162 6.952 -7.747) 10.473 3.663 ( -1.696 7.371 -6.204) 9.783 3.884 ( 4.935 5.322 -1.137) 7.347 4.006 ( -6.186 2.775 1.283) 6.900 4.427 ( 5.194 -10.847 -6.147) 13.506 4.472 ( 0.187 -8.565 -4.357) 9.612 4.708 ( 1.612 0.585 -4.772) 5.071 4.748 ( -1.928 -0.814 -5.803) 6.168 5.038 ( 13.519 14.666 -0.774) 19.961 5.249 ( -1.180 14.593 1.197) 14.689 5.383 ( -1.662 4.276 3.000) 5.482 5.418 ( -3.346 5.701 -1.118) 6.704 5.652 ( 4.971 13.878 -0.789) 14.763 5.763 ( -5.518 10.420 -3.185) 12.213 6.004 ( 4.017 1.115 5.210) 6.673 6.068 ( -2.794 4.832 1.694) 5.833 6.189 ( 15.679 13.649 -4.786) 21.331 6.452 ( -9.224 3.744 -2.093) 10.172 6.694 ( 8.867 -5.393 0.451) 10.388 6.881 ( -2.874 -4.722 -0.255) 5.534 7.090 ( 8.648 14.903 -0.025) 17.230 7.463 ( -19.487 19.437 -11.394) 29.788 8.054 ( 9.819 -16.034 7.309) 20.172 8.272 ( -8.073 -13.945 6.503) 17.376 8.725 ( 13.333 6.219 7.580) 16.550 8.824 ( 10.819 -3.183 7.617) 13.609 8.966 ( -3.994 13.228 10.618) 17.426 9.139 ( -13.700 -8.025 9.350) 18.426 9.821 ( 13.164 -10.023 14.013) 21.682 9.975 ( -1.599 -8.702 13.702) 16.311 10.053 ( 16.498 6.315 12.035) 21.375 10.410 ( -16.706 9.168 -1.937) 19.155 10.853 ( 23.201 -10.434 -1.548) 25.486 11.014 ( 17.356 -8.897 -8.631) 21.328 11.202 ( -13.680 -15.751 -14.384) 25.341 11.465 ( -22.905 -4.729 -10.665) 25.705 12.609 ( 5.724 3.031 6.348) 9.069 12.725 ( -5.319 2.565 3.087) 6.664 13.020 ( 2.066 -2.408 4.411) 5.433 13.067 ( -2.532 -1.955 3.153) 4.491 16.041 ( 7.348 6.516 -21.186) 23.352 16.303 ( -16.947 7.826 -25.259) 31.408 16.529 ( 1.683 11.519 -3.753) 12.232 16.565 ( -2.454 3.887 -11.510) 12.394 16.732 ( 2.521 15.615 -12.838) 20.372 16.939 ( -18.182 4.488 -28.003) 33.688 18.833 ( 9.056 -8.237 8.601) 14.961 18.955 ( -3.129 -9.590 4.730) 11.142 26.046 ( 4.471 -0.017 -1.369) 4.676 26.161 ( -7.103 1.844 -5.846) 9.382 26.932 ( 11.022 -11.612 3.011) 16.290 27.155 ( -10.864 -11.769 -3.704) 16.440 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.000 25.676 9.956) 27.538 2.524 ( 0.000 13.869 24.274) 27.957 2.718 ( 0.000 -1.619 23.185) 23.241 2.770 ( 0.000 7.664 -20.319) 21.717 2.884 ( 0.000 -7.208 20.407) 21.643 3.165 ( 0.000 -12.971 23.910) 27.202 3.388 ( 0.000 -9.155 1.531) 9.282 3.433 ( 0.000 -5.049 -4.845) 6.998 3.807 ( 0.000 10.309 -5.527) 11.698 4.026 ( 0.000 0.090 -4.596) 4.597 4.170 ( 0.000 -1.031 -4.553) 4.669 4.189 ( 0.000 8.544 0.537) 8.561 4.448 ( 0.000 2.033 -1.518) 2.537 4.450 ( 0.000 -8.523 -7.070) 11.074 4.717 ( 0.000 3.213 14.133) 14.493 4.877 ( 0.000 -0.045 10.643) 10.644 5.099 ( 0.000 12.409 15.678) 19.995 5.175 ( 0.000 10.791 7.556) 13.173 5.399 ( 0.000 20.606 14.540) 25.219 5.431 ( 0.000 11.796 -1.555) 11.898 5.676 ( 0.000 -3.436 1.370) 3.699 5.689 ( 0.000 -7.056 14.991) 16.569 5.996 ( 0.000 3.263 11.883) 12.323 6.033 ( 0.000 -2.045 1.441) 2.502 6.278 ( 0.000 6.673 -9.045) 11.240 6.381 ( 0.000 -2.864 3.288) 4.360 6.524 ( 0.000 8.857 1.872) 9.053 6.598 ( 0.000 -7.350 -0.482) 7.366 7.023 ( 0.000 -11.209 3.492) 11.740 7.109 ( 0.000 1.773 -8.237) 8.426 7.308 ( 0.000 1.002 10.274) 10.323 7.990 ( 0.000 -22.512 -7.297) 23.665 8.344 ( 0.000 5.714 4.588) 7.328 8.472 ( 0.000 15.610 32.130) 35.721 8.894 ( 0.000 -1.220 6.929) 7.035 8.909 ( 0.000 5.158 -1.256) 5.309 9.233 ( 0.000 -14.572 -4.465) 15.241 9.425 ( 0.000 -1.616 27.926) 27.972 10.071 ( 0.000 0.868 36.400) 36.411 10.335 ( 0.000 -13.744 25.717) 29.159 10.652 ( 0.000 26.083 -22.810) 34.650 11.247 ( 0.000 13.882 -22.120) 26.115 11.656 ( 0.000 -10.932 -15.497) 18.965 12.044 ( 0.000 -12.239 -18.337) 22.046 12.596 ( 0.000 1.120 4.548) 4.684 12.778 ( 0.000 -5.610 3.553) 6.640 12.992 ( 0.000 -0.683 -0.655) 0.947 13.019 ( 0.000 -1.876 -3.879) 4.309 16.925 ( 0.000 6.620 21.192) 22.202 16.971 ( 0.000 32.139 6.296) 32.750 17.208 ( 0.000 -5.047 21.906) 22.480 17.209 ( 0.000 16.562 0.402) 16.567 17.638 ( 0.000 -2.789 18.210) 18.422 18.231 ( 0.000 -19.729 0.387) 19.733 18.286 ( 0.000 6.566 -13.131) 14.681 18.583 ( 0.000 -6.088 -16.196) 17.302 25.545 ( 0.000 5.531 17.911) 18.746 26.106 ( 0.000 -16.240 16.515) 23.162 26.770 ( 0.000 7.631 -16.126) 17.840 27.331 ( 0.000 -15.981 -15.132) 22.009 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -3.297 28.443 7.895) 29.702 2.443 ( -7.254 7.501 21.757) 24.129 2.615 ( -11.546 -0.696 16.245) 19.942 2.666 ( -9.176 9.692 -9.999) 16.676 3.078 ( 16.767 -3.587 16.745) 23.967 3.239 ( 4.975 -10.556 20.118) 23.257 3.372 ( -1.703 -8.942 -3.653) 9.808 3.495 ( 3.968 -6.399 -5.459) 9.300 3.737 ( -2.677 10.364 -2.602) 11.016 4.057 ( 1.434 -0.551 -5.056) 5.285 4.127 ( -1.733 -2.600 -3.403) 4.620 4.244 ( 2.742 5.234 -1.652) 6.135 4.451 ( 0.034 -4.997 -7.908) 9.354 4.498 ( 3.680 3.591 -3.083) 5.995 4.694 ( -2.953 0.301 10.629) 11.036 4.866 ( -1.970 -0.591 11.884) 12.061 5.099 ( -2.108 10.179 10.275) 14.616 5.139 ( 1.233 12.631 9.337) 15.755 5.336 ( -1.023 8.531 3.774) 9.384 5.446 ( -1.193 10.154 5.916) 11.812 5.700 ( 1.963 -2.460 4.232) 5.274 5.734 ( 3.929 7.951 6.711) 11.122 5.970 ( 2.323 -1.377 8.047) 8.488 6.207 ( 2.519 9.257 -1.524) 9.714 6.262 ( 2.258 -1.891 -5.815) 6.519 6.367 ( 0.707 0.596 -0.528) 1.065 6.544 ( 2.062 10.192 1.234) 10.471 6.653 ( 4.626 -6.635 3.302) 8.736 7.129 ( 12.350 -6.632 -0.251) 14.020 7.146 ( 3.635 0.902 -7.756) 8.613 7.463 ( 13.768 -0.398 12.557) 18.638 7.830 ( -10.278 -15.310 -3.977) 18.864 8.412 ( -6.861 21.270 35.409) 41.872 8.485 ( 12.503 2.443 9.406) 15.835 8.908 ( 5.633 -5.914 7.603) 11.158 9.056 ( 8.923 -2.876 0.619) 9.395 9.249 ( 1.889 -13.052 -4.128) 13.819 9.419 ( -0.597 -4.032 25.581) 25.904 10.077 ( -0.271 1.165 31.812) 31.835 10.301 ( -2.863 -10.227 20.534) 23.118 10.500 ( -12.927 23.570 -21.161) 34.211 11.233 ( -2.336 10.803 -21.156) 23.869 11.586 ( -6.606 -10.152 -16.019) 20.082 12.012 ( -3.264 -11.904 -18.344) 22.110 12.579 ( -1.248 2.275 5.867) 6.415 12.785 ( 0.676 -5.762 3.362) 6.706 12.974 ( -0.664 0.921 -0.963) 1.489 13.057 ( 2.224 -2.523 -2.080) 3.954 16.717 ( -15.667 7.823 16.323) 23.939 16.989 ( 0.402 30.955 5.498) 31.442 17.005 ( -12.948 -3.055 12.490) 18.248 17.289 ( 1.969 17.743 4.459) 18.401 17.766 ( 4.200 -2.771 7.610) 9.124 17.994 ( -9.692 -3.734 -1.990) 10.575 18.394 ( -10.312 -6.010 -15.438) 19.514 18.464 ( 1.299 -11.240 -6.432) 13.015 25.630 ( 7.512 3.806 16.267) 18.318 26.147 ( 3.965 -15.999 15.960) 22.943 26.728 ( -4.171 7.741 -15.126) 17.496 27.297 ( -3.354 -16.221 -14.502) 22.015 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -0.018 29.927 0.400) 29.930 2.247 ( -12.287 6.091 4.570) 14.455 2.312 ( -16.439 3.057 12.120) 20.651 2.393 ( -16.603 14.461 -1.279) 22.055 3.196 ( -7.343 -12.649 -2.189) 14.789 3.390 ( 6.540 -8.168 1.860) 10.628 3.437 ( 7.240 -1.277 3.077) 7.970 3.568 ( 7.018 -7.182 0.714) 10.067 3.751 ( 2.979 5.795 -0.442) 6.531 3.992 ( -5.411 -2.993 -3.805) 7.261 4.172 ( 2.817 -0.325 -5.859) 6.509 4.258 ( -1.742 3.260 -1.532) 4.002 4.425 ( -3.767 -2.269 -11.378) 12.199 4.471 ( -8.695 11.537 0.038) 14.447 4.644 ( 0.148 -6.393 -0.517) 6.416 4.869 ( -4.717 -5.023 1.945) 7.160 5.005 ( -1.064 11.184 5.637) 12.570 5.128 ( -3.078 4.379 1.323) 5.513 5.396 ( 8.747 7.275 7.801) 13.794 5.496 ( 6.445 11.861 8.115) 15.750 5.711 ( -0.625 2.833 5.924) 6.596 5.798 ( 3.590 0.840 0.714) 3.755 6.095 ( 9.035 13.320 5.454) 16.994 6.244 ( 3.378 -2.749 -2.174) 4.867 6.310 ( 0.395 14.244 -0.132) 14.250 6.404 ( 3.286 -2.523 -5.527) 6.907 6.580 ( 0.314 11.389 -4.354) 12.197 6.758 ( 5.449 -4.536 7.369) 10.226 7.229 ( 4.654 1.940 0.735) 5.095 7.393 ( 3.439 -5.838 -13.952) 15.510 7.626 ( 12.013 9.481 9.299) 17.907 7.999 ( 24.449 -5.006 8.438) 26.344 8.276 ( -3.543 11.428 28.738) 31.129 8.797 ( 15.688 -2.821 13.744) 21.047 9.013 ( 2.508 -15.069 15.390) 21.685 9.206 ( 3.997 -0.781 14.542) 15.102 9.357 ( 10.520 -8.874 1.413) 13.835 9.429 ( 3.800 -10.119 8.442) 13.715 9.928 ( -17.059 19.298 -5.394) 26.316 10.247 ( -0.957 7.473 11.858) 14.049 10.342 ( 1.166 -10.278 7.159) 12.579 11.118 ( -9.548 0.021 -20.435) 22.555 11.413 ( -10.060 -4.692 -15.707) 19.234 11.902 ( -8.081 -11.354 -17.787) 22.597 12.567 ( 0.489 4.343 7.814) 8.953 12.804 ( 1.178 -5.110 3.068) 6.076 12.964 ( -0.624 2.054 1.073) 2.400 13.085 ( 0.317 -2.710 -0.311) 2.746 16.400 ( -14.262 8.265 5.433) 17.356 16.728 ( -13.292 -5.886 3.928) 15.058 16.987 ( -0.927 29.082 2.413) 29.197 17.310 ( 0.354 25.564 0.472) 25.571 17.457 ( -24.387 3.613 -21.539) 32.737 17.983 ( -24.421 0.170 -23.274) 33.736 18.136 ( 12.896 -10.208 15.180) 22.382 18.564 ( 4.494 -18.679 -0.004) 19.212 25.798 ( 8.319 1.818 12.075) 14.776 26.257 ( 6.783 -15.782 13.496) 21.845 26.608 ( -7.568 8.025 -12.600) 16.746 27.197 ( -6.616 -16.760 -12.631) 22.005 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -6.192 29.425 -9.173) 31.438 1.967 ( -17.332 24.655 -2.124) 30.212 2.070 ( 0.660 2.513 -9.591) 9.937 2.171 ( 1.061 6.949 -10.076) 12.286 3.025 ( -10.072 -14.284 -13.256) 21.936 3.334 ( -9.311 -7.593 -14.245) 18.635 3.545 ( 3.847 -3.160 5.429) 7.366 3.643 ( -5.556 -1.519 -7.106) 9.147 3.869 ( 1.065 1.088 1.424) 2.085 3.899 ( 1.170 -2.897 2.225) 3.835 4.068 ( -12.228 8.349 -8.045) 16.851 4.186 ( -11.059 1.671 -5.675) 12.542 4.248 ( -6.484 5.239 -15.397) 17.508 4.343 ( -0.339 -0.473 -1.184) 1.319 4.631 ( -5.189 -8.117 -6.799) 11.791 4.643 ( -2.551 -9.400 -3.564) 10.372 5.129 ( 11.477 12.727 9.306) 19.501 5.291 ( 12.229 2.746 4.142) 13.201 5.556 ( 4.486 4.255 5.075) 7.999 5.619 ( 3.656 12.313 7.470) 14.859 5.704 ( 1.932 3.583 3.711) 5.508 5.875 ( 3.429 0.895 1.282) 3.769 6.214 ( -1.647 4.934 1.850) 5.521 6.266 ( -2.472 10.004 -2.114) 10.519 6.341 ( 7.333 11.468 3.863) 14.150 6.478 ( 2.664 0.058 -5.256) 5.893 6.588 ( 2.379 11.151 -3.998) 12.083 6.856 ( 3.232 -1.327 5.433) 6.459 7.353 ( 9.321 16.946 2.443) 19.495 7.449 ( 7.120 -0.008 0.981) 7.187 7.893 ( 6.376 8.553 2.344) 10.922 8.342 ( 11.294 -3.781 13.662) 18.125 8.458 ( 14.669 -3.463 12.748) 19.741 8.846 ( -8.603 -11.741 11.866) 18.780 9.033 ( -4.822 -3.770 4.535) 7.618 9.318 ( 12.318 -1.264 9.652) 15.700 9.460 ( -8.553 19.344 -3.172) 21.387 9.676 ( 14.891 -8.776 5.778) 18.225 9.717 ( 9.581 -4.329 2.686) 10.851 10.306 ( 8.025 -2.181 12.131) 14.708 10.468 ( 10.406 -12.274 1.615) 16.173 10.862 ( -14.937 -10.724 -18.993) 26.436 11.182 ( -13.228 0.649 -12.646) 18.312 11.675 ( -14.744 -10.726 -15.214) 23.746 12.608 ( 3.598 5.469 8.031) 10.361 12.828 ( 0.831 -1.699 2.512) 3.144 12.943 ( -1.223 0.211 4.192) 4.372 13.066 ( -2.160 -2.881 1.705) 3.984 16.192 ( -5.585 8.532 -8.300) 13.148 16.518 ( -6.713 -5.685 -8.750) 12.407 16.900 ( -13.722 14.287 -14.005) 24.261 16.958 ( -19.317 7.391 -20.065) 28.816 17.310 ( -0.245 30.481 -1.211) 30.506 17.528 ( -17.731 14.394 -19.645) 30.125 18.376 ( 10.454 -15.104 10.388) 21.103 18.629 ( 1.768 -21.340 1.739) 21.484 25.950 ( 6.897 2.489 6.260) 9.641 26.409 ( 5.015 -11.448 3.052) 12.866 26.441 ( -5.385 3.362 -3.927) 7.465 27.035 ( -9.378 -17.225 -9.395) 21.746 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -5.340 30.277 -15.428) 34.398 1.666 ( -10.116 29.633 -6.476) 31.975 2.283 ( 19.225 -2.699 -28.105) 34.158 2.478 ( 23.587 12.210 -22.100) 34.552 2.732 ( -20.383 -11.677 -26.899) 35.712 2.985 ( -24.540 10.382 -22.694) 35.000 3.475 ( -1.792 -11.894 -6.402) 13.626 3.563 ( -6.890 -8.598 -5.342) 12.244 3.790 ( -1.239 5.550 -4.113) 7.019 3.847 ( -5.650 7.782 -2.774) 10.009 3.962 ( 1.410 0.926 2.672) 3.160 4.011 ( -3.389 -1.278 4.441) 5.731 4.286 ( 4.136 -1.562 -8.876) 9.916 4.342 ( -1.104 -2.708 -5.323) 6.073 4.593 ( 0.326 -11.297 -6.271) 12.925 4.613 ( -1.392 -10.232 -6.784) 12.355 5.387 ( 11.991 13.446 6.618) 19.193 5.495 ( 7.628 6.022 4.799) 10.839 5.545 ( -3.986 7.521 0.556) 8.531 5.615 ( -3.755 11.840 6.528) 14.032 5.805 ( 5.857 3.028 5.214) 8.406 5.898 ( -2.232 2.563 1.665) 3.784 6.147 ( -1.019 4.056 2.680) 4.967 6.191 ( -4.182 -0.082 -1.283) 4.376 6.493 ( 5.339 13.763 4.517) 15.438 6.528 ( 1.330 9.217 -0.928) 9.359 6.673 ( 6.698 6.859 -5.296) 10.952 6.827 ( -6.166 1.005 -0.114) 6.248 7.644 ( 12.991 16.622 6.021) 21.938 7.671 ( 17.996 11.495 3.972) 21.720 7.878 ( -4.004 -2.992 5.582) 7.493 8.228 ( -26.402 6.375 4.866) 27.593 8.627 ( 12.333 -5.369 1.031) 13.491 8.809 ( -4.451 0.978 -7.997) 9.204 9.026 ( 9.640 -1.777 14.150) 17.214 9.250 ( -10.658 10.210 7.150) 16.400 9.580 ( 11.897 -7.853 11.495) 18.312 9.754 ( -3.959 -7.861 11.922) 14.819 10.112 ( 21.243 -7.315 -2.350) 22.590 10.501 ( -16.474 -15.392 -15.717) 27.483 10.561 ( 14.640 -6.446 -1.812) 16.099 10.833 ( 19.667 -6.815 -1.762) 20.889 10.884 ( -14.036 -3.330 -8.620) 16.805 11.305 ( -21.894 -9.731 -10.093) 25.998 12.703 ( 5.400 5.441 6.480) 10.038 12.802 ( -3.790 4.334 3.667) 6.826 12.948 ( 2.097 -4.174 5.342) 7.096 13.007 ( -3.319 -3.589 3.696) 6.128 16.202 ( 6.957 8.034 -20.413) 23.014 16.448 ( -11.076 4.030 -24.750) 27.413 16.518 ( -3.494 -1.830 -21.240) 21.604 16.687 ( -13.291 -0.924 -20.866) 24.757 17.306 ( -0.005 33.095 -2.339) 33.178 17.331 ( -3.549 31.188 -6.418) 32.039 18.545 ( 6.317 -19.087 6.228) 21.048 18.628 ( -1.962 -21.336 3.507) 21.711 26.088 ( 7.247 4.876 -0.049) 8.735 26.249 ( -8.758 7.021 -5.568) 12.530 26.613 ( 10.458 -16.778 2.115) 19.883 26.829 ( -10.804 -17.282 -4.448) 20.860 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.000 -24.773 -1.006) 24.793 2.459 ( 0.000 24.773 -1.006) 24.793 2.751 ( 0.000 -4.979 16.322) 17.064 2.751 ( 0.000 4.979 16.322) 17.064 2.878 ( 0.000 -12.812 22.966) 26.298 2.878 ( 0.000 12.812 22.966) 26.298 3.344 ( 0.000 -2.827 -6.143) 6.763 3.344 ( 0.000 2.827 -6.143) 6.763 4.042 ( 0.000 -6.735 -7.583) 10.142 4.042 ( 0.000 6.735 -7.583) 10.142 4.124 ( 0.000 -1.593 -2.007) 2.563 4.124 ( 0.000 1.593 -2.007) 2.563 4.446 ( 0.000 -2.920 -8.130) 8.639 4.446 ( 0.000 2.920 -8.130) 8.639 4.815 ( 0.000 -4.993 13.615) 14.502 4.815 ( 0.000 4.993 13.615) 14.502 5.368 ( 0.000 -4.518 3.750) 5.872 5.368 ( 0.000 4.518 3.750) 5.872 5.409 ( 0.000 -2.346 18.572) 18.719 5.409 ( 0.000 2.346 18.572) 18.719 5.824 ( 0.000 -4.865 6.076) 7.784 5.824 ( 0.000 4.865 6.076) 7.784 5.946 ( 0.000 -3.634 9.584) 10.250 5.946 ( 0.000 3.634 9.584) 10.250 6.336 ( 0.000 -2.704 -7.042) 7.543 6.336 ( 0.000 2.704 -7.042) 7.543 6.593 ( 0.000 -7.210 0.982) 7.277 6.593 ( 0.000 7.210 0.982) 7.277 6.956 ( 0.000 -9.352 5.712) 10.959 6.956 ( 0.000 9.352 5.712) 10.959 7.559 ( 0.000 -17.561 -3.867) 17.982 7.559 ( 0.000 17.561 -3.867) 17.982 8.533 ( 0.000 -7.526 1.891) 7.760 8.533 ( 0.000 7.526 1.891) 7.760 8.909 ( 0.000 -6.091 8.907) 10.791 8.909 ( 0.000 6.091 8.907) 10.791 9.247 ( 0.000 -14.710 26.524) 30.330 9.247 ( 0.000 14.710 26.524) 30.330 10.120 ( 0.000 -5.152 29.329) 29.778 10.120 ( 0.000 5.152 29.329) 29.778 11.156 ( 0.000 -19.664 -21.514) 29.146 11.156 ( 0.000 19.664 -21.514) 29.146 11.739 ( 0.000 -15.099 -17.697) 23.263 11.739 ( 0.000 15.099 -17.697) 23.263 12.662 ( 0.000 -4.732 3.415) 5.836 12.662 ( 0.000 4.732 3.415) 5.836 12.991 ( 0.000 -0.636 -1.938) 2.040 12.991 ( 0.000 0.636 -1.938) 2.040 17.071 ( 0.000 -6.711 21.334) 22.365 17.071 ( 0.000 6.711 21.334) 22.365 17.477 ( 0.000 -5.564 10.018) 11.459 17.477 ( 0.000 5.564 10.018) 11.459 17.705 ( 0.000 -26.368 3.794) 26.640 17.705 ( 0.000 26.368 3.794) 26.640 18.437 ( 0.000 -7.256 -15.139) 16.788 18.437 ( 0.000 7.256 -15.139) 16.788 25.764 ( 0.000 -14.300 16.568) 21.886 25.764 ( 0.000 14.300 16.568) 21.886 27.001 ( 0.000 -13.769 -15.901) 21.035 27.001 ( 0.000 13.769 -15.901) 21.035 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -2.504 -24.129 -7.388) 25.359 2.464 ( -2.504 24.129 -7.388) 25.359 2.567 ( -9.282 -3.182 26.963) 28.693 2.567 ( -9.282 3.182 26.963) 28.693 3.092 ( 12.138 -3.889 12.675) 17.975 3.092 ( 12.138 3.889 12.675) 17.975 3.340 ( -0.727 -6.591 -5.613) 8.688 3.340 ( -0.727 6.591 -5.613) 8.688 3.955 ( -5.495 -9.071 -5.359) 11.883 3.955 ( -5.495 9.071 -5.359) 11.883 4.161 ( 2.702 -6.698 -3.747) 8.137 4.161 ( 2.702 6.698 -3.747) 8.137 4.492 ( 3.077 -4.125 -7.961) 9.480 4.492 ( 3.077 4.125 -7.961) 9.480 4.778 ( -3.602 -5.883 11.697) 13.580 4.778 ( -3.602 5.883 11.697) 13.580 5.300 ( -5.499 -4.217 5.667) 8.951 5.300 ( -5.499 4.217 5.667) 8.951 5.417 ( 1.427 -3.705 11.686) 12.342 5.417 ( 1.427 3.705 11.686) 12.342 5.782 ( 0.788 -9.029 3.856) 9.849 5.782 ( 0.788 9.029 3.856) 9.849 6.135 ( 10.887 -14.996 8.812) 20.520 6.135 ( 10.887 14.996 8.812) 20.520 6.306 ( -2.012 -3.120 -7.361) 8.245 6.306 ( -2.012 3.120 -7.361) 8.245 6.657 ( 5.434 -5.310 0.640) 7.624 6.657 ( 5.434 5.310 0.640) 7.624 7.090 ( 11.026 -5.597 -1.388) 12.443 7.090 ( 11.026 5.597 -1.388) 12.443 7.548 ( 3.234 -9.813 2.714) 10.682 7.548 ( 3.234 9.813 2.714) 10.682 8.613 ( 5.531 -6.896 12.602) 15.393 8.613 ( 5.531 6.896 12.602) 15.393 8.936 ( 2.510 -9.806 11.176) 15.079 8.936 ( 2.510 9.806 11.176) 15.079 9.200 ( -3.253 -12.428 18.819) 22.786 9.200 ( -3.253 12.428 18.819) 22.786 10.122 ( 0.471 -4.369 25.949) 26.318 10.122 ( 0.471 4.369 25.949) 26.318 11.031 ( -11.853 -22.388 -22.596) 33.946 11.031 ( -11.853 22.388 -22.596) 33.946 11.718 ( -2.444 -14.797 -17.360) 22.941 11.718 ( -2.444 14.797 -17.360) 22.941 12.663 ( 0.274 -5.233 4.138) 6.677 12.663 ( 0.274 5.233 4.138) 6.677 13.006 ( 1.210 -2.037 -1.355) 2.730 13.006 ( 1.210 2.037 -1.355) 2.730 16.878 ( -14.801 -7.135 15.570) 22.637 16.878 ( -14.801 7.135 15.570) 22.637 17.573 ( 3.288 -11.310 5.871) 13.161 17.573 ( 3.288 11.310 5.871) 13.161 17.705 ( 1.642 -17.592 4.950) 18.349 17.705 ( 1.642 17.592 4.950) 18.349 18.327 ( -9.735 -2.445 -14.808) 17.889 18.327 ( -9.735 2.445 -14.808) 17.889 25.818 ( 5.020 -13.263 15.817) 21.244 25.818 ( 5.020 13.263 15.817) 21.244 26.962 ( -3.827 -13.988 -15.082) 20.923 26.962 ( -3.827 13.988 -15.082) 20.923 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -12.262 -6.333 9.999) 17.043 2.251 ( -12.262 6.333 9.999) 17.043 2.517 ( -0.957 -18.458 -2.615) 18.667 2.517 ( -0.957 18.458 -2.615) 18.667 3.099 ( -10.740 -14.745 -2.434) 18.404 3.099 ( -10.740 14.745 -2.434) 18.404 3.446 ( 10.111 -2.934 4.087) 11.294 3.446 ( 10.111 2.934 4.087) 11.294 3.886 ( -1.467 -5.999 -4.295) 7.523 3.886 ( -1.467 5.999 -4.295) 7.523 4.211 ( 1.371 -3.949 -4.370) 6.048 4.211 ( 1.371 3.949 -4.370) 6.048 4.489 ( -3.434 -6.300 -2.862) 7.725 4.489 ( -3.434 6.300 -2.862) 7.725 4.717 ( -5.894 -9.285 -3.400) 11.511 4.717 ( -5.894 9.285 -3.400) 11.511 5.164 ( -3.787 -2.377 2.966) 5.366 5.164 ( -3.787 2.377 2.966) 5.366 5.496 ( 5.914 -4.210 9.644) 12.071 5.496 ( 5.914 4.210 9.644) 12.071 5.840 ( 4.033 -3.285 0.855) 5.271 5.840 ( 4.033 3.285 0.855) 5.271 6.224 ( -0.471 -9.610 -2.102) 9.849 6.224 ( -0.471 9.610 -2.102) 9.849 6.393 ( 9.441 -7.487 4.918) 13.014 6.393 ( 9.441 7.487 4.918) 13.014 6.762 ( 3.890 -3.915 0.192) 5.522 6.762 ( 3.890 3.915 0.192) 5.522 7.267 ( 7.820 -5.342 -10.280) 13.978 7.267 ( 7.820 5.342 -10.280) 13.978 7.844 ( 23.732 -8.503 9.649) 26.993 7.844 ( 23.732 8.503 9.649) 26.993 8.610 ( -7.662 -16.385 29.990) 35.023 8.610 ( -7.662 16.385 29.990) 35.023 9.028 ( 6.451 -18.850 10.441) 22.494 9.028 ( 6.451 18.850 10.441) 22.494 9.233 ( 9.147 -4.113 8.119) 12.903 9.233 ( 9.147 4.113 8.119) 12.903 10.147 ( 1.803 -6.291 16.402) 17.659 10.147 ( 1.803 6.291 16.402) 17.659 10.718 ( -17.970 -26.465 -23.424) 39.649 10.718 ( -17.970 26.465 -23.424) 39.649 11.623 ( -7.300 -14.120 -16.198) 22.694 11.623 ( -7.300 14.120 -16.198) 22.694 12.681 ( 1.696 -5.948 5.564) 8.320 12.681 ( 1.696 5.948 5.564) 8.320 13.022 ( -0.043 -3.034 0.118) 3.037 13.022 ( -0.043 3.034 0.118) 3.037 16.578 ( -13.712 -7.947 4.611) 16.506 16.578 ( -13.712 7.947 4.611) 16.506 17.439 ( -15.511 -8.673 -11.959) 21.421 17.439 ( -15.511 8.673 -11.959) 21.421 17.817 ( 6.787 -19.911 7.304) 22.268 17.817 ( 6.787 19.911 7.304) 22.268 18.138 ( -6.773 -16.786 -8.420) 19.964 18.138 ( -6.773 16.786 -8.420) 19.964 25.946 ( 7.270 -11.762 12.937) 18.936 25.946 ( 7.270 11.762 12.937) 18.936 26.850 ( -7.185 -14.467 -12.871) 20.654 26.850 ( -7.185 14.467 -12.871) 20.654 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -2.376 -0.850 -4.901) 5.512 2.092 ( -2.376 0.850 -4.901) 5.512 2.468 ( -4.525 -25.233 -14.093) 29.254 2.468 ( -4.525 25.233 -14.093) 29.254 2.872 ( -7.794 -29.269 -4.705) 30.652 2.872 ( -7.794 29.269 -4.705) 30.652 3.575 ( -0.317 -3.908 -0.479) 3.950 3.575 ( -0.317 3.908 -0.479) 3.950 3.873 ( -0.007 -1.299 -1.783) 2.206 3.873 ( -0.007 1.299 -1.783) 2.206 4.167 ( -8.534 -2.419 -6.452) 10.968 4.167 ( -8.534 2.419 -6.452) 10.968 4.404 ( -7.355 -6.826 -4.691) 11.077 4.404 ( -7.355 6.826 -4.691) 11.077 4.456 ( -7.658 -5.214 -11.038) 14.411 4.456 ( -7.658 5.214 -11.038) 14.411 5.298 ( 12.839 -3.003 6.036) 14.502 5.298 ( 12.839 3.003 6.036) 14.502 5.613 ( 5.034 -3.145 7.466) 9.538 5.613 ( 5.034 3.145 7.466) 9.538 5.912 ( 2.758 -3.259 0.506) 4.299 5.912 ( 2.758 3.259 0.506) 4.299 6.194 ( -3.428 -5.611 0.657) 6.608 6.194 ( -3.428 5.611 0.657) 6.608 6.569 ( 7.753 -5.596 4.213) 10.448 6.569 ( 7.753 5.596 4.213) 10.448 6.810 ( 1.478 -4.997 1.563) 5.441 6.810 ( 1.478 4.997 1.563) 5.441 7.478 ( 12.980 -4.460 -6.438) 15.160 7.478 ( 12.980 4.460 -6.438) 15.160 8.292 ( 6.552 -5.430 13.359) 15.838 8.292 ( 6.552 5.430 13.359) 15.838 8.432 ( 4.167 -26.999 14.590) 30.971 8.432 ( 4.167 26.999 14.590) 30.971 9.131 ( 3.080 -11.832 12.979) 17.831 9.131 ( 3.080 11.832 12.979) 17.831 9.537 ( 16.988 -2.641 7.124) 18.610 9.537 ( 16.988 2.641 7.124) 18.610 10.140 ( -6.708 -22.564 -11.562) 26.226 10.140 ( -6.708 22.564 -11.562) 26.226 10.429 ( -3.793 -14.821 -5.305) 16.193 10.429 ( -3.793 14.821 -5.305) 16.193 11.413 ( -13.808 -13.273 -13.326) 23.333 11.413 ( -13.808 13.273 -13.326) 23.333 12.734 ( 3.619 -5.852 6.336) 9.353 12.734 ( 3.619 5.852 6.336) 9.353 12.996 ( -2.627 -3.443 2.122) 4.823 12.996 ( -2.627 3.443 2.122) 4.823 16.371 ( -5.965 -7.874 -8.485) 13.022 16.371 ( -5.965 7.874 -8.485) 13.022 17.029 ( -22.823 -2.374 -23.697) 32.986 17.029 ( -22.823 2.374 -23.697) 32.986 17.935 ( 4.851 -25.811 4.452) 26.638 17.935 ( 4.851 25.811 4.452) 26.638 18.066 ( -1.432 -29.628 -1.730) 29.713 18.066 ( -1.432 29.628 -1.730) 29.713 26.102 ( 8.241 -11.707 7.564) 16.192 26.102 ( 8.241 11.707 7.564) 16.192 26.680 ( -9.528 -14.711 -9.571) 19.970 26.680 ( -9.528 14.711 -9.571) 19.970 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 6.699 -11.628 -19.038) 23.293 2.148 ( 6.699 11.628 -19.038) 23.293 2.317 ( -9.318 -27.299 -19.705) 34.933 2.317 ( -9.318 27.299 -19.705) 34.933 2.920 ( 13.124 -25.634 -10.735) 30.734 2.920 ( 13.124 25.634 -10.735) 30.734 3.318 ( -22.326 -10.865 -14.872) 28.942 3.318 ( -22.326 10.865 -14.872) 28.942 3.901 ( 2.704 -4.724 2.967) 6.199 3.901 ( 2.704 4.724 2.967) 6.199 3.977 ( -5.659 -3.883 0.636) 6.892 3.977 ( -5.659 3.883 0.636) 6.892 4.355 ( 1.353 -7.897 -8.695) 11.823 4.355 ( 1.353 7.897 -8.695) 11.823 4.396 ( -2.193 -7.558 -7.759) 11.051 4.396 ( -2.193 7.558 -7.759) 11.051 5.545 ( 10.205 -2.074 6.680) 12.372 5.545 ( 10.205 2.074 6.680) 12.372 5.664 ( -1.127 -3.849 6.419) 7.569 5.664 ( -1.127 3.849 6.419) 7.569 5.967 ( 3.698 -5.100 1.162) 6.405 5.967 ( 3.698 5.100 1.162) 6.405 6.080 ( -6.910 -4.969 2.101) 8.766 6.080 ( -6.910 4.969 2.101) 8.766 6.713 ( 6.543 -3.686 2.725) 7.990 6.713 ( 6.543 3.686 2.725) 7.990 6.809 ( -2.357 -4.627 2.344) 5.697 6.809 ( -2.357 4.627 2.344) 5.697 7.767 ( 15.270 -7.486 0.880) 17.029 7.767 ( 15.270 7.486 0.880) 17.029 8.071 ( -14.635 -11.681 11.455) 21.951 8.071 ( -14.635 11.681 11.455) 21.951 8.807 ( 18.873 -16.713 4.212) 25.559 8.807 ( 18.873 16.713 4.212) 25.559 9.096 ( -8.306 -16.414 10.508) 21.186 9.096 ( -8.306 16.414 10.508) 21.186 9.776 ( 7.168 -13.466 -2.348) 15.434 9.776 ( 7.168 13.466 -2.348) 15.434 9.925 ( -9.450 -26.990 -15.310) 32.436 9.925 ( -9.450 26.990 -15.310) 32.436 10.643 ( 19.882 -8.661 -0.185) 21.687 10.643 ( 19.882 8.661 -0.185) 21.687 11.068 ( -20.215 -11.856 -7.969) 24.753 11.068 ( -20.215 11.856 -7.969) 24.753 12.822 ( 4.903 -4.940 5.849) 9.091 12.822 ( 4.903 4.940 5.849) 9.091 12.921 ( -4.611 -3.952 4.254) 7.415 12.921 ( -4.611 3.952 4.254) 7.415 16.366 ( 5.903 -6.936 -19.753) 21.751 16.366 ( 5.903 6.936 -19.753) 21.751 16.607 ( -17.534 -5.407 -25.620) 31.514 16.607 ( -17.534 5.407 -25.620) 31.514 18.010 ( 2.670 -30.296 2.287) 30.499 18.010 ( 2.670 30.296 2.287) 30.499 18.046 ( -1.070 -32.140 0.702) 32.166 18.046 ( -1.070 32.140 0.702) 32.166 26.279 ( 9.436 -12.916 0.979) 16.025 26.279 ( 9.436 12.916 0.979) 16.025 26.479 ( -10.232 -14.194 -5.011) 18.201 26.479 ( -10.232 14.194 -5.011) 18.201 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.000 0.000 8.520) 8.520 1.835 ( 0.000 0.000 -4.810) 4.810 2.732 ( 0.000 0.000 24.731) 24.731 3.107 ( 0.000 0.000 -10.291) 10.291 3.168 ( 0.000 0.000 18.105) 18.105 3.502 ( 0.000 0.000 -14.580) 14.580 3.559 ( 0.000 0.000 8.319) 8.319 3.663 ( 0.000 0.000 -1.378) 1.378 3.938 ( 0.000 0.000 2.105) 2.105 4.056 ( 0.000 0.000 -10.030) 10.030 4.138 ( 0.000 0.000 18.861) 18.861 4.315 ( 0.000 0.000 -1.686) 1.686 4.429 ( 0.000 0.000 7.181) 7.181 4.573 ( 0.000 0.000 2.314) 2.314 4.725 ( 0.000 0.000 11.480) 11.480 4.799 ( 0.000 0.000 2.861) 2.861 4.969 ( 0.000 0.000 -2.815) 2.815 5.015 ( 0.000 0.000 -13.977) 13.977 5.051 ( 0.000 0.000 12.287) 12.287 5.144 ( 0.000 0.000 3.854) 3.854 5.792 ( 0.000 0.000 4.554) 4.554 5.981 ( 0.000 0.000 8.968) 8.968 6.039 ( 0.000 0.000 30.194) 30.194 6.084 ( 0.000 0.000 -19.698) 19.698 6.130 ( 0.000 0.000 4.492) 4.492 6.147 ( 0.000 0.000 3.231) 3.231 6.300 ( 0.000 0.000 -18.899) 18.899 6.547 ( 0.000 0.000 -17.377) 17.377 7.292 ( 0.000 0.000 5.076) 5.076 7.311 ( 0.000 0.000 2.138) 2.138 8.161 ( 0.000 0.000 42.903) 42.903 8.257 ( 0.000 0.000 21.047) 21.047 8.490 ( 0.000 0.000 -2.186) 2.186 8.586 ( 0.000 0.000 -11.229) 11.229 8.660 ( 0.000 0.000 -17.289) 17.289 8.898 ( 0.000 0.000 8.534) 8.534 8.988 ( 0.000 0.000 -26.571) 26.571 9.231 ( 0.000 0.000 -14.933) 14.933 9.899 ( 0.000 0.000 23.666) 23.666 10.394 ( 0.000 0.000 -23.740) 23.740 10.973 ( 0.000 0.000 43.564) 43.564 11.218 ( 0.000 0.000 22.179) 22.179 11.630 ( 0.000 0.000 -18.326) 18.326 11.752 ( 0.000 0.000 -32.758) 32.758 12.798 ( 0.000 0.000 7.498) 7.498 12.940 ( 0.000 0.000 -5.307) 5.307 12.995 ( 0.000 0.000 0.407) 0.407 13.017 ( 0.000 0.000 -0.838) 0.838 16.318 ( 0.000 0.000 9.026) 9.026 16.491 ( 0.000 0.000 -7.992) 7.992 17.234 ( 0.000 0.000 23.212) 23.212 17.668 ( 0.000 0.000 -17.845) 17.845 17.820 ( 0.000 0.000 24.621) 24.621 18.254 ( 0.000 0.000 17.048) 17.048 18.306 ( 0.000 0.000 -22.529) 22.529 18.531 ( 0.000 0.000 -9.386) 9.386 25.921 ( 0.000 0.000 18.721) 18.721 26.297 ( 0.000 0.000 -17.918) 17.918 26.941 ( 0.000 0.000 22.473) 22.473 27.390 ( 0.000 0.000 -20.697) 20.697 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 1.698 0.000 8.157) 8.332 1.847 ( 1.109 0.000 -4.556) 4.689 2.625 ( -9.947 0.000 22.353) 24.467 3.026 ( -9.485 0.000 -16.179) 18.754 3.153 ( -3.705 0.000 20.423) 20.756 3.517 ( -0.713 0.000 -15.031) 15.048 3.638 ( 7.325 0.000 9.746) 12.191 3.699 ( 1.574 0.000 2.017) 2.559 3.904 ( -2.636 0.000 0.816) 2.759 4.001 ( -4.868 0.000 -8.161) 9.503 4.101 ( -4.482 0.000 21.793) 22.249 4.307 ( -5.943 0.000 9.763) 11.430 4.351 ( 2.186 0.000 -3.937) 4.503 4.504 ( -5.639 0.000 -6.454) 8.571 4.601 ( -9.954 0.000 8.199) 12.896 4.866 ( 3.482 0.000 7.386) 8.165 4.888 ( -14.761 0.000 -18.331) 23.535 4.979 ( 1.172 0.000 0.524) 1.284 5.219 ( 11.301 0.000 6.746) 13.161 5.235 ( 7.966 0.000 9.120) 12.109 5.664 ( -16.600 0.000 13.949) 21.683 5.803 ( 0.153 0.000 0.593) 0.612 5.833 ( -14.875 0.000 -3.475) 15.275 6.001 ( 0.867 0.000 8.045) 8.092 6.069 ( 2.542 0.000 -16.884) 17.075 6.325 ( 2.579 0.000 -17.407) 17.597 6.455 ( 11.285 0.000 19.698) 22.702 6.847 ( 17.442 0.000 -15.189) 23.128 7.303 ( -2.644 0.000 12.810) 13.080 7.386 ( 6.574 0.000 1.101) 6.666 7.876 ( -18.360 0.000 33.096) 37.847 8.166 ( -1.324 0.000 8.546) 8.648 8.272 ( -8.255 0.000 -5.063) 9.684 8.611 ( -25.798 0.000 -34.627) 43.181 8.863 ( 26.028 0.000 7.580) 27.109 9.100 ( 24.149 0.000 -13.859) 27.843 9.127 ( 15.652 0.000 17.306) 23.335 9.460 ( 13.187 0.000 -15.027) 19.993 9.864 ( -3.305 0.000 24.131) 24.356 10.362 ( -3.095 0.000 -23.221) 23.427 10.968 ( -0.409 0.000 42.244) 42.246 11.170 ( -4.382 0.000 21.337) 21.782 11.578 ( -4.957 0.000 -18.548) 19.198 11.730 ( -2.276 0.000 -32.170) 32.250 12.755 ( -3.553 0.000 7.626) 8.413 12.887 ( -3.756 0.000 -5.176) 6.395 13.013 ( 2.024 0.000 3.086) 3.690 13.071 ( 3.102 0.000 -2.760) 4.152 16.314 ( -0.361 0.000 8.375) 8.383 16.476 ( -1.651 0.000 -7.420) 7.601 16.958 ( -23.044 0.000 21.775) 31.705 17.403 ( -23.229 0.000 -21.110) 31.388 17.592 ( -20.901 0.000 22.823) 30.947 18.071 ( -22.132 0.000 -23.676) 32.409 18.415 ( 13.210 0.000 17.807) 22.172 18.684 ( 11.472 0.000 -8.700) 14.397 25.977 ( 4.525 0.000 15.168) 15.829 26.291 ( -0.927 0.000 -15.457) 15.485 26.958 ( 1.690 0.000 21.118) 21.186 27.380 ( -1.024 0.000 -19.478) 19.505 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 2.495 0.000 7.079) 7.506 1.874 ( 1.363 0.000 -3.842) 4.077 2.366 ( -15.112 0.000 15.867) 21.912 2.726 ( -19.155 0.000 -19.285) 27.181 2.899 ( -23.156 0.000 27.532) 35.975 3.399 ( -12.094 0.000 -18.387) 22.008 3.629 ( -6.279 0.000 13.720) 15.088 3.766 ( -0.947 0.000 0.585) 1.113 3.812 ( -8.068 0.000 -1.602) 8.226 3.883 ( -15.152 0.000 12.821) 19.848 3.905 ( -3.532 0.000 -10.302) 10.891 4.189 ( -27.281 0.000 -17.559) 32.443 4.289 ( 5.922 0.000 12.104) 13.475 4.451 ( 0.017 0.000 -3.069) 3.069 4.514 ( 1.272 0.000 1.285) 1.808 4.574 ( -3.443 0.000 -6.337) 7.212 4.887 ( -0.833 0.000 6.574) 6.627 5.057 ( 6.624 0.000 -5.303) 8.485 5.258 ( -0.609 0.000 10.278) 10.296 5.441 ( 2.049 0.000 -7.337) 7.618 5.447 ( -5.826 0.000 13.236) 14.461 5.684 ( -3.577 0.000 -8.889) 9.582 5.802 ( 3.299 0.000 10.988) 11.472 6.015 ( 1.493 0.000 0.761) 1.675 6.264 ( 13.246 0.000 -6.412) 14.716 6.393 ( 2.995 0.000 -8.587) 9.094 6.629 ( 8.698 0.000 20.632) 22.390 6.953 ( -26.264 0.000 31.671) 41.144 7.071 ( 5.358 0.000 -22.404) 23.036 7.477 ( -4.277 0.000 -11.478) 12.249 7.841 ( 13.307 0.000 4.971) 14.205 8.112 ( -15.630 0.000 -26.303) 30.597 8.220 ( 8.864 0.000 12.802) 15.571 8.355 ( 11.275 0.000 -0.533) 11.288 9.415 ( 9.758 0.000 13.217) 16.429 9.418 ( 28.049 0.000 7.797) 29.113 9.574 ( 22.684 0.000 -7.053) 23.755 9.662 ( 5.162 0.000 -9.967) 11.224 9.793 ( -1.509 0.000 26.019) 26.063 10.294 ( -2.341 0.000 -21.864) 21.988 10.958 ( -0.540 0.000 37.842) 37.845 11.065 ( -5.329 0.000 18.213) 18.977 11.445 ( -7.863 0.000 -18.405) 20.015 11.655 ( -5.407 0.000 -29.805) 30.292 12.685 ( -2.888 0.000 8.039) 8.542 12.815 ( -3.203 0.000 -4.813) 5.782 13.056 ( 2.027 0.000 3.621) 4.150 13.119 ( 1.548 0.000 -2.454) 2.902 16.298 ( -2.755 0.000 6.005) 6.607 16.370 ( -15.487 0.000 5.398) 16.401 16.503 ( -12.267 0.000 5.119) 13.293 16.856 ( -28.713 0.000 -22.496) 36.476 17.086 ( -26.830 0.000 15.880) 31.177 17.499 ( -32.322 0.000 -24.211) 40.384 18.689 ( 13.024 0.000 14.606) 19.569 18.903 ( 9.567 0.000 -6.502) 11.567 26.051 ( 1.873 0.000 8.463) 8.668 26.244 ( -3.970 0.000 -10.540) 11.263 27.004 ( 2.736 0.000 17.171) 17.387 27.347 ( -2.308 0.000 -15.999) 16.164 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 1.532 0.000 5.324) 5.540 1.893 ( 0.254 0.000 -2.776) 2.787 2.045 ( -15.727 0.000 8.585) 17.918 2.307 ( -21.444 0.000 -17.376) 27.600 2.320 ( -29.064 0.000 22.032) 36.471 2.945 ( -33.868 0.000 -35.589) 49.128 3.443 ( -12.171 0.000 14.418) 18.868 3.604 ( -11.536 0.000 -3.267) 11.990 3.615 ( -11.344 0.000 -0.663) 11.364 3.631 ( -19.115 0.000 -4.017) 19.533 3.647 ( -5.436 0.000 -0.332) 5.446 3.843 ( -4.262 0.000 -15.407) 15.985 4.450 ( 5.382 0.000 2.103) 5.779 4.493 ( 5.147 0.000 -2.442) 5.696 4.565 ( 2.528 0.000 0.714) 2.627 4.597 ( 1.748 0.000 -2.363) 2.940 4.858 ( -1.193 0.000 10.001) 10.072 5.123 ( -3.410 0.000 -13.649) 14.069 5.304 ( 6.320 0.000 8.505) 10.596 5.374 ( -1.933 0.000 8.445) 8.664 5.410 ( 0.163 0.000 -3.322) 3.326 5.584 ( -6.691 0.000 -11.322) 13.151 5.879 ( 1.034 0.000 11.325) 11.372 6.036 ( -0.255 0.000 -1.032) 1.063 6.291 ( -10.043 0.000 12.253) 15.843 6.472 ( -0.558 0.000 -8.276) 8.295 6.666 ( 2.086 0.000 9.221) 9.454 6.840 ( 11.556 0.000 16.925) 20.494 7.110 ( -20.422 0.000 -29.563) 35.931 7.144 ( 2.607 0.000 -12.801) 13.064 8.188 ( 17.265 0.000 1.443) 17.325 8.239 ( 22.642 0.000 -2.083) 22.738 8.455 ( 12.327 0.000 12.098) 17.272 8.591 ( 10.291 0.000 -1.546) 10.407 9.382 ( -10.916 0.000 13.806) 17.600 9.594 ( -11.385 0.000 -6.439) 13.079 9.928 ( 12.345 0.000 20.080) 23.572 9.944 ( 22.625 0.000 6.759) 23.613 10.004 ( 20.153 0.000 0.288) 20.155 10.307 ( 2.602 0.000 -16.381) 16.587 10.954 ( 0.611 0.000 28.569) 28.576 10.983 ( -2.174 0.000 11.562) 11.765 11.278 ( -8.409 0.000 -16.292) 18.334 11.505 ( -9.683 0.000 -24.206) 26.071 12.654 ( -0.021 0.000 6.887) 6.887 12.762 ( -2.193 0.000 -3.576) 4.195 13.089 ( 1.184 0.000 3.057) 3.278 13.132 ( -0.084 0.000 -1.166) 1.169 15.924 ( -19.012 0.000 6.190) 19.995 16.165 ( -19.384 0.000 -13.660) 23.714 16.372 ( -3.484 0.000 0.519) 3.523 16.459 ( -5.774 0.000 -7.342) 9.341 16.602 ( -19.657 0.000 5.107) 20.309 16.871 ( -28.075 0.000 -21.094) 35.116 18.917 ( 9.419 0.000 9.815) 13.603 19.054 ( 5.210 0.000 -3.571) 6.317 26.047 ( -1.730 0.000 2.944) 3.414 26.140 ( -5.760 0.000 -6.432) 8.634 27.065 ( 3.282 0.000 11.082) 11.558 27.288 ( -3.455 0.000 -10.638) 11.185 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -0.828 0.000 -0.636) 1.044 1.816 ( -4.383 0.000 -0.636) 4.429 1.871 ( -3.265 0.000 -3.050) 4.468 1.925 ( -14.375 0.000 -11.257) 18.258 1.989 ( -0.987 0.000 -1.630) 1.905 2.246 ( -28.535 0.000 -29.092) 40.751 3.262 ( -2.608 0.000 1.511) 3.014 3.362 ( -10.829 0.000 -6.627) 12.696 3.416 ( -3.645 0.000 -2.730) 4.554 3.444 ( -5.729 0.000 -5.084) 7.659 3.630 ( 2.970 0.000 -4.781) 5.628 3.731 ( -6.189 0.000 -13.312) 14.680 4.524 ( 3.135 0.000 -1.474) 3.464 4.562 ( 0.165 0.000 -5.184) 5.187 4.602 ( 1.214 0.000 -0.017) 1.214 4.614 ( 0.050 0.000 -1.194) 1.195 4.880 ( 3.772 0.000 4.700) 6.026 4.995 ( -7.106 0.000 -6.454) 9.600 5.370 ( 1.749 0.000 0.909) 1.971 5.420 ( 3.907 0.000 4.479) 5.944 5.447 ( 1.270 0.000 1.511) 1.973 5.448 ( -5.842 0.000 -6.580) 8.799 5.877 ( 2.165 0.000 1.307) 2.529 5.984 ( -5.633 0.000 -6.457) 8.568 6.187 ( -0.438 0.000 4.451) 4.472 6.272 ( -10.080 0.000 -4.842) 11.183 6.801 ( 6.546 0.000 1.481) 6.711 6.900 ( -4.344 0.000 -8.728) 9.749 7.049 ( 8.369 0.000 10.209) 13.201 7.156 ( -2.080 0.000 0.037) 2.081 8.578 ( 19.415 0.000 7.643) 20.866 8.660 ( 7.154 0.000 6.799) 9.869 8.692 ( 17.399 0.000 -2.495) 17.577 8.718 ( 1.749 0.000 1.106) 2.069 9.111 ( -11.531 0.000 10.702) 15.732 9.274 ( -18.604 0.000 -4.289) 19.092 10.169 ( 10.372 0.000 10.491) 14.752 10.275 ( 10.478 0.000 9.975) 14.467 10.313 ( -3.379 0.000 -2.700) 4.325 10.321 ( 7.652 0.000 6.620) 10.118 10.999 ( 3.831 0.000 -0.522) 3.867 11.028 ( 8.298 0.000 8.267) 11.713 11.117 ( -7.320 0.000 -10.886) 13.118 11.268 ( -13.342 0.000 -13.201) 18.769 12.678 ( 1.996 0.000 3.649) 4.159 12.721 ( -2.081 0.000 -0.512) 2.143 13.107 ( 0.764 0.000 1.895) 2.044 13.122 ( -0.748 0.000 0.420) 0.858 15.684 ( -3.781 0.000 -4.750) 6.071 15.787 ( -13.587 0.000 -14.404) 19.801 16.349 ( -4.550 0.000 -5.718) 7.307 16.365 ( 1.031 0.000 1.133) 1.532 16.396 ( -2.073 0.000 -1.968) 2.858 16.440 ( -13.608 0.000 -14.639) 19.987 19.062 ( 4.836 0.000 4.753) 6.781 19.108 ( 0.206 0.000 0.164) 0.264 26.014 ( -0.675 0.000 -0.833) 1.073 26.041 ( -3.458 0.000 -3.581) 4.978 27.135 ( 3.717 0.000 3.715) 5.255 27.213 ( -3.918 0.000 -3.848) 5.491 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.000 9.560 13.792) 16.781 2.076 ( 0.000 17.028 -12.245) 20.974 2.807 ( 0.000 6.980 23.519) 24.533 3.139 ( 0.000 -2.354 16.100) 16.271 3.166 ( 0.000 4.160 -8.846) 9.775 3.371 ( 0.000 -6.495 -6.053) 8.878 3.620 ( 0.000 0.921 -0.783) 1.208 3.621 ( 0.000 -4.520 0.694) 4.573 3.839 ( 0.000 -14.298 7.084) 15.957 3.929 ( 0.000 -3.020 -4.543) 5.456 4.149 ( 0.000 -3.630 3.836) 5.281 4.170 ( 0.000 0.118 1.944) 1.947 4.501 ( 0.000 -5.233 3.413) 6.248 4.527 ( 0.000 -1.574 -0.038) 1.575 4.876 ( 0.000 6.139 6.292) 8.790 4.973 ( 0.000 15.559 6.562) 16.886 4.994 ( 0.000 3.074 2.796) 4.155 5.087 ( 0.000 6.322 -10.703) 12.431 5.140 ( 0.000 13.190 9.570) 16.296 5.204 ( 0.000 7.853 6.897) 10.452 5.838 ( 0.000 4.536 1.367) 4.737 5.897 ( 0.000 -3.460 13.839) 14.265 6.027 ( 0.000 -1.320 -10.825) 10.905 6.091 ( 0.000 -3.761 5.792) 6.906 6.124 ( 0.000 -0.858 1.671) 1.879 6.260 ( 0.000 -2.603 -18.862) 19.041 6.334 ( 0.000 15.527 12.799) 20.122 6.666 ( 0.000 9.569 -14.811) 17.633 7.137 ( 0.000 -13.365 10.759) 17.158 7.243 ( 0.000 -6.769 -0.455) 6.784 7.792 ( 0.000 -14.963 21.482) 26.180 8.211 ( 0.000 -23.325 -18.700) 29.896 8.440 ( 0.000 -3.019 3.038) 4.283 8.563 ( 0.000 0.275 -7.324) 7.329 8.805 ( 0.000 28.176 31.731) 42.436 9.007 ( 0.000 4.873 10.949) 11.984 9.245 ( 0.000 -0.989 -11.446) 11.489 9.484 ( 0.000 29.391 -30.022) 42.013 9.941 ( 0.000 4.862 25.991) 26.442 10.478 ( 0.000 8.507 -25.379) 26.766 10.946 ( 0.000 -2.527 42.236) 42.312 11.109 ( 0.000 -9.737 22.745) 24.742 11.535 ( 0.000 -8.636 -18.936) 20.812 11.706 ( 0.000 -4.377 -32.020) 32.318 12.760 ( 0.000 -3.065 7.343) 7.957 12.894 ( 0.000 -4.051 -4.505) 6.058 12.985 ( 0.000 -0.799 -0.182) 0.820 13.002 ( 0.000 -1.188 -0.858) 1.465 16.538 ( 0.000 19.675 8.087) 21.273 16.694 ( 0.000 17.765 -7.186) 19.163 17.277 ( 0.000 3.891 22.890) 23.219 17.682 ( 0.000 0.515 -9.155) 9.170 17.812 ( 0.000 -0.156 16.704) 16.705 18.216 ( 0.000 -3.724 14.348) 14.824 18.270 ( 0.000 -3.306 -21.882) 22.131 18.459 ( 0.000 -6.974 -8.503) 10.997 25.911 ( 0.000 -0.184 20.009) 20.010 26.310 ( 0.000 1.672 -18.843) 18.917 26.819 ( 0.000 -10.930 22.364) 24.892 27.268 ( 0.000 -10.940 -20.748) 23.456 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -7.933 4.957 12.766) 15.826 1.984 ( -9.121 11.290 -12.437) 19.114 2.743 ( -5.923 8.368 21.883) 24.166 3.112 ( -4.890 -2.963 14.003) 15.125 3.135 ( -4.560 7.076 -10.644) 13.570 3.417 ( 2.165 -5.870 -9.167) 11.099 3.639 ( 4.179 -3.741 7.766) 9.580 3.688 ( 3.545 -1.447 2.473) 4.558 3.843 ( 0.216 -12.084 6.220) 13.593 3.918 ( -1.276 -0.628 -4.519) 4.737 4.131 ( -1.371 3.593 5.217) 6.481 4.167 ( -1.279 -5.494 1.943) 5.966 4.413 ( -7.751 -1.138 0.769) 7.872 4.476 ( -4.296 0.263 -2.484) 4.970 4.791 ( -7.477 7.769 3.534) 11.347 4.928 ( -5.030 8.244 0.268) 9.661 4.997 ( -5.903 5.647 -6.198) 10.254 5.013 ( 1.709 7.668 0.495) 7.872 5.271 ( 2.764 7.765 12.395) 14.885 5.314 ( 13.582 8.268 11.415) 19.574 5.739 ( -8.876 3.697 2.684) 9.983 5.773 ( -10.817 0.944 -6.386) 12.597 5.955 ( -2.194 2.580 4.554) 5.676 5.966 ( 0.334 2.661 7.343) 7.817 6.090 ( 0.248 1.885 -13.609) 13.741 6.279 ( 1.554 -3.374 -16.617) 17.027 6.535 ( 9.241 6.541 17.685) 20.998 6.875 ( 14.274 2.327 -13.663) 19.895 7.152 ( 0.202 -13.407 14.108) 19.463 7.297 ( 3.591 -7.367 -1.374) 8.310 7.777 ( 0.210 -4.561 15.389) 16.052 8.012 ( -7.168 -13.965 -8.624) 17.910 8.509 ( -12.831 24.104 21.741) 34.904 8.726 ( 20.717 -6.009 9.080) 23.404 8.876 ( 10.644 4.097 -13.442) 17.629 9.080 ( -3.391 8.521 -18.373) 20.535 9.228 ( 11.458 2.719 12.240) 16.986 9.546 ( 3.717 6.589 -18.029) 19.552 9.925 ( -1.210 6.416 27.708) 28.467 10.471 ( -0.921 10.071 -24.707) 26.697 10.941 ( -0.458 -2.538 40.707) 40.788 11.053 ( -5.139 -10.419 21.616) 24.540 11.472 ( -5.975 -9.562 -19.099) 22.179 11.682 ( -2.444 -4.527 -31.386) 31.805 12.731 ( -2.447 -1.917 7.457) 8.079 12.861 ( -2.549 -2.430 -5.033) 6.143 12.995 ( 1.749 -1.295 2.923) 3.644 13.052 ( 3.039 -1.566 -2.666) 4.335 16.535 ( -0.269 19.676 7.566) 21.083 16.681 ( -1.497 17.821 -6.561) 19.050 17.004 ( -22.577 4.196 21.060) 31.159 17.426 ( -22.691 1.708 -16.107) 27.879 17.585 ( -20.587 -0.234 18.077) 27.398 18.045 ( -21.402 -2.342 -23.262) 31.696 18.365 ( 12.414 -4.867 16.161) 20.952 18.609 ( 11.010 -7.220 -7.838) 15.323 25.962 ( 4.166 -0.653 16.700) 17.224 26.303 ( -1.046 1.519 -16.514) 16.617 26.836 ( 1.635 -10.948 21.001) 23.740 27.257 ( -1.130 -11.027 -19.498) 22.428 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -8.684 -4.963 6.746) 12.065 1.732 ( -14.737 -1.997 -11.700) 18.923 2.562 ( -12.800 10.243 20.372) 26.149 2.853 ( -22.538 -3.709 25.675) 34.364 2.960 ( -12.041 11.882 -17.532) 24.363 3.330 ( -12.195 -4.595 -17.208) 21.586 3.663 ( -4.180 0.053 11.421) 12.162 3.760 ( -1.230 -3.056 5.048) 6.028 3.861 ( -5.212 3.265 -5.576) 8.301 3.867 ( 5.856 -5.337 -1.094) 7.998 3.982 ( -11.226 4.798 2.145) 12.395 4.114 ( -11.795 -1.955 -6.202) 13.469 4.276 ( -7.532 2.003 -2.475) 8.178 4.354 ( -0.587 -0.551 -4.409) 4.482 4.673 ( -3.149 5.424 0.071) 6.272 4.719 ( -6.451 6.803 -5.744) 10.995 4.978 ( 0.782 8.954 9.498) 13.076 5.111 ( 7.121 2.808 -0.872) 7.704 5.284 ( 2.281 8.559 11.265) 14.330 5.529 ( -5.184 8.985 -13.334) 16.894 5.579 ( 5.545 6.167 12.233) 14.779 5.737 ( 1.669 6.931 -2.952) 7.716 5.919 ( -0.590 10.698 3.992) 11.433 5.991 ( 2.339 -2.205 6.236) 7.016 6.228 ( 10.419 -1.855 -7.939) 13.230 6.329 ( 3.423 -4.611 -10.115) 11.632 6.668 ( 4.891 1.899 18.921) 19.635 7.005 ( -7.944 0.077 5.883) 9.885 7.135 ( 1.028 4.204 -2.911) 5.216 7.348 ( 3.535 -9.390 -3.056) 10.488 7.781 ( 4.436 -1.469 9.648) 10.720 8.064 ( 4.334 1.324 -12.120) 12.940 8.399 ( 3.391 13.647 12.291) 18.676 8.644 ( -8.476 22.537 -15.546) 28.660 9.228 ( 21.142 -8.898 12.096) 25.932 9.424 ( 12.484 -6.641 0.751) 14.160 9.449 ( 20.711 -6.370 -1.002) 21.691 9.581 ( -0.723 -8.713 -7.117) 11.273 9.921 ( 1.918 8.740 26.792) 28.247 10.440 ( -1.974 10.764 -22.109) 24.669 10.923 ( -3.308 -7.141 30.010) 31.025 10.937 ( -3.618 -7.304 23.474) 24.849 11.313 ( -9.274 -11.644 -18.602) 23.825 11.603 ( -5.575 -4.832 -29.002) 29.926 12.685 ( -1.626 0.305 7.691) 7.867 12.813 ( -2.063 -0.194 -4.775) 5.205 13.037 ( 2.009 -1.621 3.770) 4.569 13.101 ( 1.644 -1.559 -2.471) 3.352 16.465 ( -24.901 6.541 14.132) 29.369 16.524 ( -1.266 19.277 5.346) 20.045 16.671 ( -3.769 16.166 -4.038) 17.084 16.886 ( -28.508 2.744 -19.567) 34.686 17.091 ( -25.886 1.513 13.707) 29.331 17.491 ( -31.277 -0.399 -23.715) 39.253 18.622 ( 12.103 -6.580 13.311) 19.156 18.815 ( 8.890 -8.476 -5.788) 13.579 26.033 ( 2.057 -0.973 10.124) 10.377 26.255 ( -3.900 1.405 -11.665) 12.379 26.879 ( 2.519 -11.120 17.013) 20.480 27.220 ( -2.542 -11.308 -15.985) 19.745 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -7.848 -14.601 -1.403) 16.636 1.509 ( -1.297 -9.816 -9.111) 13.456 2.209 ( -21.894 6.813 20.530) 30.778 2.292 ( -28.356 -1.868 20.813) 35.224 2.652 ( -18.815 13.797 -21.148) 31.490 2.883 ( -32.045 -4.303 -32.898) 46.127 3.487 ( -11.687 3.409 3.415) 12.644 3.645 ( -11.741 4.530 -5.918) 13.907 3.683 ( -8.102 2.615 -1.869) 8.716 3.732 ( -11.675 5.447 -3.679) 13.398 3.872 ( -0.294 11.446 3.517) 11.978 3.982 ( 2.843 7.509 -7.974) 11.316 4.298 ( 3.459 -7.427 5.022) 9.610 4.379 ( 1.593 -5.286 -3.110) 6.337 4.644 ( -0.677 1.452 -0.958) 1.867 4.668 ( -0.688 0.648 -3.090) 3.232 5.002 ( 1.778 14.151 10.104) 17.478 5.221 ( 0.684 7.755 -7.543) 10.840 5.398 ( 6.155 10.183 3.064) 12.287 5.433 ( 1.052 6.640 -0.248) 6.727 5.635 ( 0.905 15.979 3.968) 16.489 5.736 ( -1.918 13.468 -5.820) 14.797 5.961 ( 2.808 7.637 7.208) 10.871 6.041 ( 1.700 0.493 2.779) 3.294 6.330 ( -4.072 1.538 6.112) 7.504 6.421 ( 4.476 -4.611 -6.447) 9.103 6.633 ( -4.131 -0.815 11.242) 12.004 6.908 ( -1.495 0.072 1.420) 2.063 7.095 ( -1.630 10.504 -0.202) 10.631 7.393 ( -1.877 14.000 -17.177) 22.239 7.976 ( 9.673 -11.220 2.314) 14.994 8.085 ( 10.263 -2.680 -8.311) 13.475 8.625 ( 15.316 7.886 9.352) 19.602 8.728 ( 10.441 6.989 -0.850) 12.593 9.324 ( -6.585 -5.295 10.547) 13.515 9.458 ( -8.575 -11.460 -1.960) 14.447 9.797 ( 18.564 -5.890 11.858) 22.802 9.915 ( 20.901 -6.811 -1.823) 22.058 10.036 ( 10.097 1.830 16.293) 19.256 10.402 ( -1.895 6.267 -16.984) 18.202 10.831 ( -2.878 -12.936 12.394) 18.145 10.920 ( 0.171 -3.543 24.931) 25.182 11.121 ( -9.399 -13.306 -15.434) 22.441 11.452 ( -9.653 -4.965 -23.636) 26.010 12.677 ( 0.842 2.212 6.620) 7.031 12.780 ( -1.273 1.762 -3.426) 4.057 13.069 ( 1.159 -1.785 3.317) 3.941 13.116 ( -0.098 -1.530 -1.221) 1.960 16.003 ( -18.846 6.425 6.458) 20.932 16.274 ( -24.530 7.316 -18.618) 31.653 16.539 ( -7.180 8.280 1.711) 11.093 16.551 ( -10.020 5.533 -0.141) 11.447 16.698 ( -7.557 18.167 0.271) 19.678 16.894 ( -25.191 4.678 -19.362) 32.115 18.832 ( 8.664 -8.219 8.893) 14.890 18.954 ( 4.845 -9.532 -3.100) 11.133 26.039 ( -0.972 -0.149 4.233) 4.345 26.155 ( -5.544 1.703 -7.253) 9.287 26.934 ( 2.934 -11.640 10.901) 16.215 27.156 ( -3.759 -11.793 -10.681) 16.349 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 5.258 -15.844 10.197) 19.562 1.561 ( -6.469 -7.852 7.866) 12.860 1.855 ( -0.200 1.537 -7.417) 7.577 1.939 ( -1.614 -0.849 -6.443) 6.696 2.195 ( -28.411 4.978 -28.508) 40.555 2.233 ( -23.508 2.941 -25.980) 35.160 3.349 ( -1.348 5.226 -3.636) 6.507 3.418 ( -7.980 3.049 -9.647) 12.885 3.567 ( -3.502 11.728 -1.636) 12.348 3.581 ( -4.315 10.053 -2.710) 11.271 3.923 ( 3.891 14.295 3.563) 15.237 3.988 ( -1.944 14.677 -2.454) 15.007 4.360 ( 2.525 -11.843 -0.297) 12.113 4.392 ( -0.477 -9.343 -3.012) 9.828 4.640 ( 0.386 -0.553 -1.390) 1.545 4.655 ( -0.800 -0.963 -2.711) 2.986 5.054 ( 3.490 17.259 2.471) 17.780 5.144 ( -5.328 15.196 -6.343) 17.308 5.489 ( 4.214 7.176 6.033) 10.279 5.524 ( 1.835 7.167 3.457) 8.166 5.659 ( 1.675 19.129 0.606) 19.212 5.697 ( -1.702 18.039 -3.146) 18.390 6.000 ( 2.197 10.964 -0.423) 11.189 6.047 ( -1.058 4.341 -1.352) 4.668 6.237 ( -0.525 6.493 4.223) 7.763 6.352 ( -9.672 7.314 -7.160) 14.082 6.673 ( 4.560 -9.462 1.226) 10.574 6.768 ( -6.051 -9.468 -8.064) 13.831 7.201 ( 7.501 15.127 7.963) 18.668 7.323 ( -4.545 17.098 -4.159) 18.174 8.213 ( 12.156 -17.861 7.173) 22.765 8.312 ( 5.057 -16.551 -2.050) 17.427 8.890 ( 9.990 2.138 6.127) 11.912 8.933 ( 8.570 -3.873 2.089) 9.633 9.151 ( -7.269 9.741 7.242) 14.148 9.234 ( -12.030 -0.707 -0.101) 12.051 10.068 ( 9.268 -8.288 10.219) 16.094 10.167 ( 2.666 -9.024 3.146) 9.922 10.283 ( 9.332 -1.994 7.324) 12.029 10.371 ( -0.471 1.506 -2.257) 2.754 10.833 ( 3.175 -13.951 1.280) 14.364 10.946 ( -7.235 -14.362 -9.771) 18.817 10.987 ( 7.545 -4.125 6.718) 10.912 11.219 ( -13.034 -4.729 -13.289) 19.206 12.712 ( 2.248 3.164 3.667) 5.340 12.753 ( -1.667 3.003 -0.333) 3.451 13.087 ( 0.805 -1.861 2.097) 2.918 13.104 ( -0.861 -1.701 0.451) 1.959 15.767 ( -3.683 6.849 -4.664) 9.068 15.870 ( -13.628 6.722 -14.463) 20.978 16.322 ( -4.676 -2.468 -5.439) 7.586 16.389 ( -10.273 -1.849 -10.729) 14.968 16.632 ( -1.981 21.808 -2.361) 22.025 16.637 ( -1.541 21.996 -1.750) 22.120 18.965 ( 4.390 -9.374 4.324) 11.218 19.006 ( 0.264 -9.848 0.239) 9.854 26.022 ( -0.012 1.166 -0.224) 1.187 26.057 ( -3.582 1.864 -3.750) 5.511 26.998 ( 3.534 -12.168 3.529) 13.153 27.075 ( -4.055 -12.216 -3.987) 13.475 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 0.000 12.136 10.070) 15.770 2.333 ( 0.000 4.488 -17.182) 17.758 3.019 ( 0.000 11.931 19.332) 22.717 3.094 ( 0.000 -1.182 11.239) 11.301 3.168 ( 0.000 -3.813 3.472) 5.157 3.320 ( 0.000 -0.129 -8.462) 8.463 3.479 ( 0.000 -7.479 9.203) 11.859 3.524 ( 0.000 -9.339 15.295) 17.921 3.683 ( 0.000 2.849 -7.677) 8.189 3.834 ( 0.000 -2.598 -13.461) 13.710 4.123 ( 0.000 -4.058 2.429) 4.730 4.200 ( 0.000 4.315 -1.350) 4.522 4.336 ( 0.000 -12.965 -2.390) 13.183 4.380 ( 0.000 -5.101 -4.456) 6.773 4.987 ( 0.000 5.312 12.893) 13.945 5.083 ( 0.000 2.909 9.268) 9.714 5.223 ( 0.000 6.447 -7.530) 9.912 5.241 ( 0.000 8.587 -3.762) 9.375 5.509 ( 0.000 17.223 12.763) 21.436 5.641 ( 0.000 25.919 5.034) 26.403 5.840 ( 0.000 -1.130 15.381) 15.422 5.932 ( 0.000 -2.234 6.619) 6.985 5.990 ( 0.000 -1.439 -3.891) 4.149 6.055 ( 0.000 7.374 -1.181) 7.468 6.107 ( 0.000 -0.154 -4.277) 4.280 6.213 ( 0.000 -0.889 -16.085) 16.110 6.656 ( 0.000 11.694 8.365) 14.377 6.775 ( 0.000 -16.274 6.985) 17.709 6.921 ( 0.000 10.428 -4.618) 11.404 7.025 ( 0.000 -11.305 -4.061) 12.012 7.528 ( 0.000 -10.287 11.393) 15.349 7.771 ( 0.000 -17.895 -12.359) 21.748 8.432 ( 0.000 2.473 4.542) 5.172 8.553 ( 0.000 -0.650 -7.288) 7.317 9.004 ( 0.000 -4.169 5.334) 6.770 9.119 ( 0.000 -9.502 -5.696) 11.079 9.433 ( 0.000 28.602 35.674) 45.724 10.066 ( 0.000 12.803 14.239) 19.149 10.131 ( 0.000 21.044 -10.860) 23.681 10.717 ( 0.000 9.164 -23.944) 25.637 10.845 ( 0.000 -12.699 23.770) 26.950 10.871 ( 0.000 -3.700 32.920) 33.127 11.297 ( 0.000 -10.943 -19.582) 22.432 11.559 ( 0.000 -9.513 -29.184) 30.695 12.698 ( 0.000 -1.908 5.199) 5.538 12.788 ( 0.000 -5.134 -2.785) 5.840 12.968 ( 0.000 -0.632 -0.564) 0.847 12.976 ( 0.000 -1.029 -0.805) 1.306 17.085 ( 0.000 28.970 4.911) 29.384 17.164 ( 0.000 23.596 -2.468) 23.725 17.390 ( 0.000 6.525 21.508) 22.476 17.647 ( 0.000 -3.612 14.516) 14.958 17.831 ( 0.000 0.210 -0.530) 0.571 18.100 ( 0.000 -5.926 2.144) 6.302 18.151 ( 0.000 -10.206 -14.256) 17.533 18.238 ( 0.000 -11.357 -11.485) 16.152 25.959 ( 0.000 5.632 21.798) 22.513 26.395 ( 0.000 6.590 -20.320) 21.362 26.512 ( 0.000 -16.166 22.120) 27.398 26.961 ( 0.000 -16.419 -20.897) 26.576 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -7.300 16.539 8.544) 19.995 2.233 ( -10.053 9.357 -16.117) 21.175 2.919 ( -7.638 6.981 16.643) 19.597 3.037 ( -7.173 -3.175 12.318) 14.604 3.221 ( -0.922 0.433 -2.736) 2.920 3.344 ( 2.168 -0.943 -7.404) 7.772 3.477 ( 2.340 -7.703 15.165) 17.170 3.586 ( 3.460 -10.031 11.363) 15.548 3.696 ( 2.541 1.673 -2.962) 4.246 3.871 ( 2.803 -2.180 -12.924) 13.403 4.078 ( -3.863 -4.024 2.338) 6.049 4.208 ( -0.255 3.033 -5.567) 6.345 4.326 ( -0.796 -10.364 -1.002) 10.443 4.395 ( 1.583 -2.344 -5.592) 6.267 4.906 ( -9.196 5.605 11.271) 15.589 5.072 ( -3.519 0.782 6.627) 7.544 5.155 ( -8.149 8.950 -6.873) 13.919 5.211 ( -2.607 7.890 -2.551) 8.693 5.501 ( 3.360 9.588 16.034) 18.981 5.638 ( -5.118 13.777 10.226) 17.904 5.748 ( -0.529 2.409 -5.177) 5.734 5.864 ( -2.510 -1.008 7.188) 7.680 5.918 ( -2.706 7.554 -8.502) 11.690 6.110 ( 3.374 1.233 -1.158) 3.774 6.212 ( 7.070 11.059 -2.385) 13.341 6.235 ( 2.608 2.913 -9.475) 10.250 6.675 ( 1.542 2.802 10.567) 11.040 6.811 ( 3.028 -12.175 3.396) 12.997 6.975 ( 5.830 3.873 -2.425) 7.407 7.085 ( 2.572 -9.462 -6.505) 11.767 7.676 ( 12.968 -5.422 7.596) 15.977 7.767 ( 5.142 -9.766 -2.331) 11.281 8.650 ( 19.063 0.080 7.397) 20.448 8.783 ( 18.123 -2.342 -4.095) 18.727 9.017 ( 0.304 5.135 7.714) 9.272 9.140 ( 2.284 -7.203 -5.461) 9.323 9.303 ( -9.684 17.590 27.451) 34.011 9.917 ( -18.060 26.717 -29.235) 43.527 10.072 ( -1.951 2.685 33.771) 33.933 10.687 ( -3.930 3.551 -17.110) 17.911 10.783 ( -4.780 -10.288 20.832) 23.720 10.873 ( -0.670 -4.257 25.875) 26.231 11.224 ( -6.528 -9.345 -19.002) 22.159 11.534 ( -2.523 -9.276 -28.530) 30.106 12.698 ( 0.075 -0.613 5.527) 5.562 12.790 ( 0.277 -3.848 -2.917) 4.836 12.975 ( 1.221 -0.326 1.397) 1.884 13.014 ( 2.567 -1.760 -2.102) 3.756 17.045 ( -9.481 18.612 9.407) 22.908 17.107 ( -7.114 18.441 3.729) 20.114 17.159 ( -12.939 14.041 10.641) 21.858 17.475 ( -15.400 5.567 -0.904) 16.400 17.608 ( -19.149 2.378 1.515) 19.356 17.983 ( -17.717 -2.891 -21.390) 27.924 18.192 ( 9.409 -11.561 11.165) 18.624 18.367 ( 9.148 -15.152 -6.031) 18.699 25.996 ( 3.109 4.867 19.112) 19.966 26.380 ( -1.603 5.790 -17.787) 18.774 26.533 ( 1.923 -15.421 20.099) 25.406 26.949 ( -1.302 -16.457 -19.478) 25.533 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -10.187 23.922 2.465) 26.118 1.952 ( -16.377 18.894 -13.326) 28.333 2.708 ( -16.589 0.114 16.958) 23.723 2.780 ( -16.421 -0.860 20.811) 26.523 3.056 ( -14.411 -1.533 -6.194) 15.761 3.265 ( -11.232 -1.820 -12.927) 17.222 3.582 ( 3.271 -5.758 6.920) 9.578 3.630 ( 1.750 -8.328 6.408) 10.652 3.780 ( 5.142 0.544 0.210) 5.175 3.899 ( -0.273 -0.811 -7.077) 7.128 3.991 ( -5.808 -1.024 -5.328) 7.948 4.128 ( -8.252 1.740 -13.296) 15.745 4.306 ( -1.988 -2.900 3.500) 4.961 4.404 ( -2.589 1.859 -5.530) 6.383 4.670 ( -10.641 -0.914 4.601) 11.629 4.789 ( -17.009 0.072 -6.084) 18.065 5.148 ( 6.601 2.494 3.675) 7.957 5.161 ( 0.700 4.204 2.269) 4.828 5.592 ( 2.751 10.514 6.465) 12.645 5.640 ( 4.341 3.659 5.367) 7.813 5.726 ( 2.578 6.138 1.589) 6.845 5.892 ( 3.844 -0.607 0.495) 3.923 6.025 ( 8.666 7.593 -2.866) 11.873 6.172 ( 3.387 3.095 -4.998) 6.784 6.306 ( 3.686 9.188 -1.055) 9.956 6.327 ( 3.990 17.774 -1.417) 18.272 6.702 ( 0.835 0.992 12.515) 12.582 6.877 ( 2.447 -8.577 0.388) 8.927 7.128 ( 6.099 -3.027 -6.155) 9.179 7.168 ( 12.039 -5.778 -6.251) 14.744 7.908 ( 10.613 6.656 13.305) 18.274 8.071 ( 19.284 -2.769 -2.066) 19.591 8.800 ( -12.551 24.783 23.523) 36.402 9.041 ( 14.387 -1.738 8.175) 16.638 9.155 ( 0.157 0.442 1.671) 1.736 9.294 ( 20.089 -2.580 -4.943) 20.849 9.314 ( 15.795 -5.308 -0.952) 16.690 9.449 ( -24.861 13.410 -18.955) 34.017 10.000 ( -5.152 -5.965 29.172) 30.218 10.550 ( -9.034 -7.280 -12.043) 16.723 10.681 ( -5.408 -6.152 9.879) 12.833 10.824 ( -4.169 -9.562 20.511) 23.011 11.081 ( -6.729 -1.784 -13.778) 15.437 11.453 ( -5.688 -8.994 -26.253) 28.328 12.709 ( 1.177 1.978 6.026) 6.451 12.803 ( 1.061 -0.993 -2.907) 3.250 13.005 ( 1.359 -0.821 2.792) 3.212 13.059 ( 1.539 -2.236 -2.181) 3.482 16.607 ( -24.766 6.951 14.472) 29.514 16.845 ( -21.044 -1.641 3.232) 21.354 16.993 ( -14.120 15.801 -4.518) 21.667 17.044 ( -22.176 8.514 -13.031) 27.094 17.345 ( -5.184 25.820 4.216) 26.670 17.554 ( -20.396 10.789 -17.037) 28.682 18.389 ( 9.119 -15.645 9.589) 20.491 18.526 ( 6.522 -18.770 -4.057) 20.281 26.054 ( 2.105 3.993 13.100) 13.856 26.326 ( -3.782 5.314 -13.247) 14.765 26.577 ( 2.152 -15.054 15.884) 21.990 26.906 ( -2.989 -16.657 -15.709) 23.090 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -10.348 27.234 -2.713) 29.260 1.731 ( -0.239 23.557 -14.044) 27.426 2.240 ( -24.603 -2.580 16.450) 29.708 2.385 ( -24.857 11.659 26.754) 38.335 2.670 ( -23.705 -9.795 -21.386) 33.395 2.938 ( -20.609 7.373 -24.527) 32.873 3.500 ( -10.212 -5.377 -2.160) 11.741 3.599 ( -9.001 -9.532 -5.798) 14.335 3.769 ( -5.200 6.116 -3.441) 8.734 3.851 ( -2.359 5.630 -6.743) 9.096 3.961 ( 5.725 -2.244 2.457) 6.622 4.020 ( 1.256 1.301 -4.031) 4.418 4.235 ( -4.444 -1.233 4.341) 6.334 4.319 ( -3.684 -1.374 -3.024) 4.961 4.542 ( -3.343 -9.405 -0.608) 10.000 4.575 ( -5.089 -7.778 -2.952) 9.753 5.291 ( 10.609 8.740 5.338) 14.746 5.349 ( 11.013 3.794 0.012) 11.648 5.631 ( 0.783 8.875 3.197) 9.466 5.687 ( 2.341 13.284 -0.975) 13.524 5.846 ( 5.658 2.769 8.975) 10.965 5.950 ( 1.600 0.269 2.289) 2.806 6.174 ( 4.099 7.136 -3.041) 8.773 6.224 ( 0.461 1.830 -2.499) 3.131 6.376 ( 4.527 16.384 0.714) 17.013 6.389 ( 3.356 12.340 -1.958) 12.938 6.686 ( -2.927 5.277 10.036) 11.710 6.870 ( -3.507 -0.882 -5.259) 6.382 7.354 ( 15.759 0.514 2.868) 16.026 7.458 ( 15.533 -4.255 -4.382) 16.691 8.044 ( 1.559 24.557 14.359) 28.489 8.362 ( 4.816 14.692 -12.192) 19.691 8.673 ( 2.375 -4.333 9.367) 10.591 8.848 ( -22.637 8.617 -8.531) 25.680 9.186 ( 0.897 -6.583 7.698) 10.168 9.250 ( 7.024 -0.039 -0.218) 7.027 9.708 ( 18.347 -2.424 7.229) 19.868 9.771 ( 20.710 -5.991 -0.168) 21.560 9.905 ( -2.131 -17.456 20.319) 26.873 10.348 ( -10.124 -18.875 -19.764) 29.144 10.585 ( -3.259 -4.665 10.544) 11.982 10.739 ( -3.054 -9.664 8.380) 13.151 10.956 ( -6.060 2.082 -2.027) 6.721 11.302 ( -9.440 -8.662 -21.249) 24.813 12.748 ( 2.628 4.114 5.598) 7.428 12.829 ( 1.293 2.183 -2.222) 3.373 13.022 ( 0.382 -2.085 3.338) 3.954 13.070 ( -0.379 -2.632 -1.211) 2.922 16.162 ( -17.964 7.905 5.749) 20.451 16.397 ( -21.807 2.127 -11.840) 24.905 16.511 ( -21.196 -0.065 -4.012) 21.572 16.676 ( -21.251 -1.590 -14.027) 25.513 17.295 ( -1.118 33.606 -0.292) 33.626 17.315 ( -4.450 32.320 -3.370) 32.799 18.545 ( 6.312 -19.121 6.240) 21.081 18.628 ( 3.573 -21.339 -1.950) 21.724 26.077 ( 0.532 4.618 6.752) 8.197 26.236 ( -4.867 6.308 -8.893) 11.940 26.617 ( 1.927 -16.264 10.250) 19.320 26.830 ( -4.435 -17.185 -10.527) 20.635 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 6.408 26.214 9.599) 28.642 1.846 ( -21.594 16.989 19.284) 33.569 1.893 ( 4.858 2.977 -11.623) 12.944 1.977 ( 9.248 16.995 -16.808) 25.629 2.156 ( -23.635 -3.987 -24.283) 34.120 2.444 ( -27.125 14.201 -30.333) 43.099 3.343 ( -3.570 -10.028 -3.832) 11.313 3.377 ( -7.258 -10.280 -7.519) 14.659 3.778 ( 2.073 9.110 1.659) 9.489 3.813 ( -1.543 9.524 -1.576) 9.777 4.042 ( 4.135 -0.907 4.718) 6.339 4.117 ( 0.447 -8.844 2.423) 9.181 4.162 ( 1.353 3.044 -1.558) 3.677 4.251 ( -3.911 -2.823 -4.837) 6.831 4.506 ( -0.548 -11.784 -1.809) 11.935 4.516 ( -1.553 -11.230 -2.622) 11.636 5.493 ( 7.179 16.746 3.367) 18.528 5.522 ( 4.963 14.742 0.108) 15.555 5.653 ( 2.054 7.603 5.743) 9.747 5.707 ( -1.221 9.478 1.144) 9.624 5.919 ( 1.980 4.723 4.436) 6.775 5.951 ( -1.260 3.746 1.764) 4.328 6.186 ( -0.944 3.088 0.814) 3.330 6.193 ( -1.901 0.222 0.782) 2.068 6.482 ( 5.209 11.686 -1.253) 12.855 6.511 ( 7.297 15.491 -3.119) 17.406 6.608 ( -3.068 8.685 2.408) 9.521 6.732 ( -9.488 6.650 -7.817) 13.977 7.702 ( 17.040 18.973 3.547) 25.747 7.759 ( 13.292 5.923 0.033) 14.552 7.992 ( -5.302 8.779 6.969) 12.399 8.159 ( -18.961 14.757 -8.353) 25.437 8.654 ( 1.192 -14.475 2.770) 14.786 8.713 ( -1.962 -13.039 -2.746) 13.469 9.283 ( 7.549 1.131 9.431) 12.133 9.365 ( 1.661 6.167 1.752) 6.623 9.859 ( 4.634 -11.950 13.502) 18.616 9.965 ( -0.525 -8.705 6.488) 10.870 10.079 ( 8.531 -17.436 -1.252) 19.451 10.189 ( -4.993 -23.421 -13.372) 27.428 10.598 ( 5.365 -1.854 4.796) 7.431 10.722 ( -2.506 -1.489 -7.149) 7.721 10.874 ( 2.754 -5.279 6.206) 8.601 11.076 ( -12.541 -8.120 -11.981) 19.151 12.805 ( 2.747 5.217 3.518) 6.866 12.841 ( -0.503 4.811 0.072) 4.838 13.029 ( 0.607 -3.489 2.571) 4.377 13.050 ( -1.322 -3.296 0.504) 3.587 15.937 ( -3.540 8.392 -4.645) 10.224 16.032 ( -12.591 7.767 -13.708) 20.168 16.244 ( -4.905 -4.774 -5.290) 8.651 16.319 ( -11.963 -4.537 -12.349) 17.782 17.279 ( -0.350 36.084 -0.509) 36.089 17.281 ( -0.417 35.713 -0.551) 35.720 18.640 ( 3.081 -21.408 3.050) 21.843 18.668 ( 0.327 -22.205 0.330) 22.210 26.093 ( 1.456 6.197 1.062) 6.454 26.145 ( -3.770 7.017 -4.132) 8.973 26.664 ( 2.965 -17.553 3.049) 18.061 26.738 ( -4.365 -17.763 -4.238) 18.776 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 0.000 -7.702 -6.648) 10.174 2.283 ( 0.000 7.702 -6.648) 10.174 3.099 ( 0.000 -1.912 7.078) 7.331 3.099 ( 0.000 1.912 7.078) 7.331 3.260 ( 0.000 -8.104 6.422) 10.340 3.260 ( 0.000 8.104 6.422) 10.340 3.377 ( 0.000 -0.453 17.572) 17.578 3.377 ( 0.000 0.453 17.572) 17.578 3.804 ( 0.000 -3.607 -14.861) 15.292 3.804 ( 0.000 3.607 -14.861) 15.292 4.091 ( 0.000 -5.099 -1.792) 5.405 4.091 ( 0.000 5.099 -1.792) 5.405 4.292 ( 0.000 -3.546 -4.699) 5.886 4.292 ( 0.000 3.546 -4.699) 5.886 5.081 ( 0.000 -2.790 11.784) 12.110 5.081 ( 0.000 2.790 11.784) 12.110 5.324 ( 0.000 -1.280 -7.384) 7.495 5.324 ( 0.000 1.280 -7.384) 7.495 5.776 ( 0.000 -5.205 13.873) 14.818 5.776 ( 0.000 5.205 13.873) 14.818 5.862 ( 0.000 -0.308 4.987) 4.997 5.862 ( 0.000 0.308 4.987) 4.997 6.116 ( 0.000 -2.181 -11.530) 11.735 6.116 ( 0.000 2.181 -11.530) 11.735 6.248 ( 0.000 -13.818 10.685) 17.467 6.248 ( 0.000 13.818 10.685) 17.467 6.561 ( 0.000 -10.585 -4.146) 11.368 6.561 ( 0.000 10.585 -4.146) 11.368 7.043 ( 0.000 -5.146 2.134) 5.571 7.043 ( 0.000 5.146 2.134) 5.571 7.455 ( 0.000 -8.561 -3.700) 9.326 7.455 ( 0.000 8.561 -3.700) 9.326 8.516 ( 0.000 -3.626 -1.195) 3.818 8.516 ( 0.000 3.626 -1.195) 3.818 8.954 ( 0.000 -2.631 0.049) 2.631 8.954 ( 0.000 2.631 0.049) 2.631 9.967 ( 0.000 -18.426 36.246) 40.660 9.967 ( 0.000 18.426 36.246) 40.660 10.639 ( 0.000 -18.178 -27.266) 32.770 10.639 ( 0.000 18.178 -27.266) 32.770 10.736 ( 0.000 -4.532 27.166) 27.542 10.736 ( 0.000 4.532 27.166) 27.542 11.317 ( 0.000 -11.337 -23.432) 26.031 11.317 ( 0.000 11.337 -23.432) 26.031 12.702 ( 0.000 -2.378 0.782) 2.503 12.702 ( 0.000 2.378 0.782) 2.503 12.963 ( 0.000 -0.193 -0.693) 0.720 12.963 ( 0.000 0.193 -0.693) 0.720 17.490 ( 0.000 -3.737 15.346) 15.795 17.490 ( 0.000 3.737 15.346) 15.795 17.636 ( 0.000 -11.669 8.405) 14.381 17.636 ( 0.000 11.669 8.405) 14.381 17.758 ( 0.000 -18.042 1.025) 18.071 17.758 ( 0.000 18.042 1.025) 18.071 18.087 ( 0.000 -4.470 -17.672) 18.229 18.087 ( 0.000 4.470 -17.672) 18.229 26.170 ( 0.000 -13.802 22.035) 26.001 26.170 ( 0.000 13.802 22.035) 26.001 26.623 ( 0.000 -13.932 -20.824) 25.054 26.623 ( 0.000 13.932 -20.824) 25.054 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -1.237 -7.012 -6.481) 9.629 2.275 ( -1.237 7.012 -6.481) 9.629 2.991 ( -10.978 -1.189 10.188) 15.024 2.991 ( -10.978 1.189 10.188) 15.024 3.288 ( -1.013 -5.073 2.507) 5.748 3.288 ( -1.013 5.073 2.507) 5.748 3.417 ( 4.981 -3.088 14.784) 15.904 3.417 ( 4.981 3.088 14.784) 15.904 3.794 ( 0.132 -6.001 -9.732) 11.434 3.794 ( 0.132 6.001 -9.732) 11.434 4.087 ( -0.236 -7.064 -3.601) 7.932 4.087 ( -0.236 7.064 -3.601) 7.932 4.315 ( 1.927 -4.305 -5.939) 7.584 4.315 ( 1.927 4.305 -5.939) 7.584 5.026 ( -7.603 -4.560 11.342) 14.396 5.026 ( -7.603 4.560 11.342) 14.396 5.279 ( -5.771 -1.868 -6.918) 9.201 5.279 ( -5.771 1.868 -6.918) 9.201 5.636 ( -5.300 -4.184 8.206) 10.627 5.636 ( -5.300 4.184 8.206) 10.627 5.850 ( -2.013 -1.001 4.182) 4.748 5.850 ( -2.013 1.001 4.182) 4.748 6.091 ( -0.133 -6.601 -9.530) 11.593 6.091 ( -0.133 6.601 -9.530) 11.593 6.381 ( 9.389 -11.702 10.638) 18.392 6.381 ( 9.389 11.702 10.638) 18.392 6.615 ( 5.404 -10.136 -5.147) 12.587 6.615 ( 5.404 10.136 -5.147) 12.587 7.046 ( 0.516 -0.820 -1.588) 1.860 7.046 ( 0.516 0.820 -1.588) 1.860 7.608 ( 14.463 -2.341 2.142) 14.807 7.608 ( 14.463 2.341 2.142) 14.807 8.713 ( 17.434 -4.340 1.530) 18.031 8.713 ( 17.434 4.340 1.530) 18.031 8.997 ( 4.326 -2.072 -0.444) 4.817 8.997 ( 4.326 2.072 -0.444) 4.817 9.839 ( -12.418 -23.081 34.758) 43.532 9.839 ( -12.418 23.081 34.758) 43.532 10.484 ( -14.133 -22.366 -25.844) 36.985 10.484 ( -14.133 22.366 -25.844) 36.985 10.719 ( -1.988 -4.449 24.779) 25.253 10.719 ( -1.988 4.449 24.779) 25.253 11.301 ( -1.837 -11.436 -23.079) 25.822 11.301 ( -1.837 11.436 -23.079) 25.822 12.718 ( 1.532 -2.446 1.300) 3.165 12.718 ( 1.532 2.446 1.300) 3.165 12.983 ( 1.710 -1.011 -0.694) 2.104 12.983 ( 1.710 1.011 -0.694) 2.104 17.211 ( -20.568 -4.082 14.974) 25.767 17.211 ( -20.568 4.082 14.974) 25.767 17.561 ( -14.410 -9.802 -5.978) 18.424 17.561 ( -14.410 9.802 -5.978) 18.424 17.823 ( 6.190 -18.578 5.465) 20.330 17.823 ( 6.190 18.578 5.465) 20.330 18.048 ( -2.172 -9.052 -10.492) 14.027 18.048 ( -2.172 9.052 -10.492) 14.027 26.192 ( 1.808 -13.137 19.743) 23.783 26.192 ( 1.808 13.137 19.743) 23.783 26.612 ( -1.175 -13.711 -18.809) 23.305 26.612 ( -1.175 13.711 -18.809) 23.305 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -4.946 -4.886 -5.430) 8.821 2.216 ( -4.946 4.886 -5.430) 8.821 2.676 ( -19.072 -5.027 8.664) 21.542 2.676 ( -19.072 5.027 8.664) 21.542 3.143 ( -12.924 -9.138 5.658) 16.808 3.143 ( -12.924 9.138 5.658) 16.808 3.522 ( 2.817 -1.186 2.067) 3.690 3.522 ( 2.817 1.186 2.067) 3.690 3.826 ( 2.524 -3.795 -0.223) 4.563 3.826 ( 2.524 3.795 -0.223) 4.563 4.066 ( -2.872 -6.597 -10.658) 12.860 4.066 ( -2.872 6.597 -10.658) 12.860 4.323 ( -2.555 -5.441 -5.481) 8.135 4.323 ( -2.555 5.441 -5.481) 8.135 4.737 ( -18.843 -4.434 2.030) 19.464 4.737 ( -18.843 4.434 2.030) 19.464 5.189 ( 2.367 -1.136 -0.288) 2.641 5.189 ( 2.367 1.136 -0.288) 2.641 5.666 ( 5.407 -1.462 6.568) 8.632 5.666 ( 5.407 1.462 6.568) 8.632 5.847 ( 2.519 -3.632 -0.818) 4.495 5.847 ( 2.519 3.632 -0.818) 4.495 6.134 ( 3.296 -5.175 -3.875) 7.256 6.134 ( 3.296 5.175 -3.875) 7.256 6.558 ( 7.616 -7.748 9.212) 14.244 6.558 ( 7.616 7.748 9.212) 14.244 6.739 ( 5.600 -7.873 -3.936) 10.433 6.739 ( 5.600 7.873 -3.936) 10.433 7.114 ( 7.477 -2.006 -3.921) 8.677 7.114 ( 7.477 2.006 -3.921) 8.677 7.974 ( 20.687 -3.402 3.096) 21.192 7.974 ( 20.687 3.402 3.096) 21.192 9.024 ( 4.741 -4.070 10.667) 12.362 9.024 ( 4.741 4.070 10.667) 12.362 9.193 ( 18.417 -5.015 0.165) 19.088 9.193 ( 18.417 5.015 0.165) 19.088 9.521 ( -15.047 -25.416 24.250) 38.215 9.521 ( -15.047 25.416 24.250) 38.215 10.122 ( -20.351 -28.517 -24.933) 43.001 10.122 ( -20.351 28.517 -24.933) 43.001 10.664 ( -3.229 -4.721 22.082) 22.811 10.664 ( -3.229 4.721 22.082) 22.811 11.235 ( -4.864 -10.742 -20.929) 24.022 11.235 ( -4.864 10.742 -20.929) 24.022 12.762 ( 2.846 -2.632 2.214) 4.465 12.762 ( 2.846 2.632 2.214) 4.465 13.014 ( 1.032 -1.593 -0.490) 1.960 13.014 ( 1.032 1.593 -0.490) 1.960 16.751 ( -23.731 -6.084 11.348) 26.999 16.751 ( -23.731 6.084 11.348) 26.999 17.127 ( -26.388 -2.430 -15.802) 30.854 17.127 ( -26.388 2.430 -15.802) 30.854 17.931 ( 4.459 -21.329 3.832) 22.124 17.931 ( 4.459 21.329 3.832) 22.124 18.032 ( 0.345 -22.154 -2.998) 22.359 18.032 ( 0.345 22.154 -2.998) 22.359 26.227 ( 1.496 -11.814 13.763) 18.200 26.227 ( 1.496 11.814 13.763) 18.200 26.572 ( -2.981 -13.055 -13.675) 19.139 26.572 ( -2.981 13.055 -13.675) 19.139 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -10.099 -1.636 -1.663) 10.365 2.064 ( -10.099 1.636 -1.663) 10.365 2.295 ( -17.272 -18.187 -0.853) 25.096 2.295 ( -17.272 18.187 -0.853) 25.096 2.851 ( -12.801 -21.195 2.904) 24.931 2.851 ( -12.801 21.195 2.904) 24.931 3.400 ( -17.150 -5.516 -13.162) 22.311 3.400 ( -17.150 5.516 -13.162) 22.311 3.884 ( 3.124 -4.576 2.679) 6.154 3.884 ( 3.124 4.576 2.679) 6.154 3.990 ( -1.734 -5.398 -7.772) 9.620 3.990 ( -1.734 5.398 -7.772) 9.620 4.247 ( -3.046 -4.118 -2.625) 5.756 4.247 ( -3.046 4.118 -2.625) 5.756 4.440 ( -9.228 -2.626 0.422) 9.603 4.440 ( -9.228 2.626 0.422) 9.603 5.385 ( 14.059 -0.804 1.972) 14.219 5.385 ( 14.059 0.804 1.972) 14.219 5.768 ( 3.775 -3.944 6.412) 8.421 5.768 ( 3.775 3.944 6.412) 8.421 5.920 ( 3.933 -4.385 -0.635) 5.924 5.920 ( 3.933 4.385 -0.635) 5.924 6.185 ( 0.783 -2.824 -1.593) 3.336 6.185 ( 0.783 2.824 -1.593) 3.336 6.664 ( 3.135 -3.992 5.589) 7.550 6.664 ( 3.135 3.992 5.589) 7.550 6.816 ( 1.930 -6.644 -1.702) 7.125 6.816 ( 1.930 6.644 -1.702) 7.125 7.358 ( 16.310 -3.024 -3.793) 17.016 7.358 ( 16.310 3.024 -3.793) 17.016 8.388 ( 17.830 -3.375 1.183) 18.185 8.388 ( 17.830 3.375 1.183) 18.185 8.813 ( -20.348 -16.116 15.715) 30.343 8.813 ( -20.348 16.116 15.715) 30.343 9.365 ( 2.625 -20.924 9.490) 23.125 9.365 ( 2.625 20.924 9.490) 23.125 9.589 ( 3.349 -18.686 -8.534) 20.814 9.589 ( 3.349 18.686 -8.534) 20.814 9.803 ( -0.557 -15.952 -8.395) 18.035 9.803 ( -0.557 15.952 -8.395) 18.035 10.604 ( -1.763 -4.566 14.509) 15.312 10.604 ( -1.763 4.566 14.509) 15.312 11.102 ( -8.377 -9.318 -15.586) 19.998 11.102 ( -8.377 9.318 -15.586) 19.998 12.829 ( 3.730 -2.649 2.662) 5.293 12.829 ( 3.730 2.649 2.662) 5.293 13.015 ( -1.008 -1.822 0.150) 2.088 13.015 ( -1.008 1.822 0.150) 2.088 16.322 ( -17.470 -6.545 3.511) 18.983 16.322 ( -17.470 6.545 3.511) 18.983 16.594 ( -24.693 -5.110 -16.655) 30.220 16.594 ( -24.693 5.110 -16.655) 30.220 18.004 ( 2.853 -25.468 2.238) 25.725 18.004 ( 2.853 25.468 2.238) 25.725 18.047 ( 0.855 -27.364 -0.721) 27.387 18.047 ( 0.855 27.364 -0.721) 27.387 26.255 ( 1.548 -10.959 6.907) 13.046 26.255 ( 1.548 10.959 6.907) 13.046 26.491 ( -4.883 -12.209 -8.048) 15.417 26.491 ( -4.883 12.209 -8.048) 15.417 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -2.784 -0.260 -4.772) 5.531 1.899 ( -2.784 0.260 -4.772) 5.531 2.001 ( -11.531 -12.209 -9.796) 19.442 2.001 ( -11.531 12.209 -9.796) 19.442 2.744 ( 3.344 -24.547 -4.567) 25.191 2.744 ( 3.344 24.547 -4.567) 25.191 2.981 ( -19.217 -14.256 -12.975) 27.219 2.981 ( -19.217 14.256 -12.975) 27.219 3.948 ( 3.116 -4.426 1.216) 5.548 3.948 ( 3.116 4.426 1.216) 5.548 3.990 ( -0.488 -3.312 0.571) 3.396 3.990 ( -0.488 3.312 0.571) 3.396 4.234 ( 1.973 -3.658 -2.815) 5.020 4.234 ( 1.973 3.658 -2.815) 5.020 4.310 ( -4.968 -2.436 -1.733) 5.798 4.310 ( -4.968 2.436 -1.733) 5.798 5.656 ( 11.155 -0.886 3.054) 11.600 5.656 ( 11.155 0.886 3.054) 11.600 5.790 ( -2.220 -3.108 4.218) 5.690 5.790 ( -2.220 3.108 4.218) 5.690 6.009 ( 5.471 -2.219 2.157) 6.285 6.009 ( 5.471 2.219 2.157) 6.285 6.134 ( -5.681 -2.336 1.823) 6.408 6.134 ( -5.681 2.336 1.823) 6.408 6.727 ( 3.873 -1.778 0.337) 4.275 6.727 ( 3.873 1.778 0.337) 4.275 6.805 ( -2.934 -4.121 -1.939) 5.417 6.805 ( -2.934 4.121 -1.939) 5.417 7.747 ( 22.042 -2.465 -1.350) 22.221 7.747 ( 22.042 2.465 -1.350) 22.221 8.226 ( -24.636 -3.049 3.662) 25.092 8.226 ( -24.636 3.049 3.662) 25.092 8.852 ( 16.627 -13.736 1.290) 21.606 8.852 ( 16.627 13.736 1.290) 21.606 9.183 ( -16.063 -14.345 -1.414) 21.583 9.183 ( -16.063 14.345 -1.414) 21.583 9.705 ( 11.844 -8.422 -0.914) 14.562 9.705 ( 11.844 8.422 -0.914) 14.562 9.890 ( -2.899 -0.737 3.915) 4.927 9.890 ( -2.899 0.737 3.915) 4.927 10.668 ( 9.137 -5.488 2.594) 10.970 10.668 ( 9.137 5.488 2.594) 10.970 10.899 ( -11.701 -7.395 -7.331) 15.663 10.899 ( -11.701 7.395 -7.331) 15.663 12.907 ( 3.821 -2.361 2.283) 5.039 12.907 ( 3.821 2.361 2.283) 5.039 12.976 ( -2.849 -2.011 1.226) 3.697 12.976 ( -2.849 2.011 1.226) 3.697 16.103 ( -3.363 -6.228 -5.345) 8.870 16.103 ( -3.363 6.228 -5.345) 8.870 16.202 ( -13.021 -5.740 -12.519) 18.953 16.202 ( -13.022 5.740 -12.519) 18.953 18.046 ( 1.315 -28.907 1.102) 28.958 18.046 ( 1.315 28.907 1.102) 28.958 18.058 ( 0.080 -29.665 0.222) 29.666 18.058 ( 0.080 29.665 0.223) 29.666 26.301 ( 3.297 -10.947 1.248) 11.501 26.301 ( 3.297 10.947 1.248) 11.501 26.387 ( -5.065 -11.463 -3.350) 12.972 26.387 ( -5.065 11.463 -3.350) 12.972 =================== 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 10.0 727.566 474.503 662.886 0.000 0.000 0.000 3/29160 20.0 145.808 85.022 133.262 0.000 0.000 0.000 3/29160 30.0 60.572 37.736 56.760 0.000 0.000 0.000 3/29160 40.0 35.317 22.763 33.539 0.000 0.000 0.000 3/29160 50.0 24.138 15.904 23.073 0.000 0.000 0.000 3/29160 60.0 18.118 12.142 17.387 0.000 0.000 0.000 3/29160 70.0 14.468 9.831 13.927 0.000 0.000 0.000 3/29160 80.0 12.067 8.294 11.645 0.000 0.000 0.000 3/29160 90.0 10.386 7.208 10.047 0.000 0.000 0.000 3/29160 100.0 9.151 6.403 8.871 0.000 0.000 0.000 3/29160 110.0 8.207 5.784 7.972 0.000 0.000 0.000 3/29160 120.0 7.462 5.292 7.261 0.000 0.000 0.000 3/29160 130.0 6.857 4.890 6.684 0.000 0.000 0.000 3/29160 140.0 6.355 4.555 6.205 0.000 0.000 0.000 3/29160 150.0 5.931 4.270 5.799 0.000 0.000 0.000 3/29160 160.0 5.566 4.024 5.450 0.000 0.000 0.000 3/29160 170.0 5.248 3.809 5.145 0.000 0.000 0.000 3/29160 180.0 4.968 3.618 4.877 0.000 0.000 0.000 3/29160 190.0 4.719 3.448 4.637 0.000 0.000 0.000 3/29160 200.0 4.495 3.295 4.422 0.000 0.000 0.000 3/29160 210.0 4.293 3.155 4.228 0.000 0.000 0.000 3/29160 220.0 4.110 3.028 4.051 0.000 0.000 0.000 3/29160 230.0 3.942 2.912 3.889 0.000 0.000 0.000 3/29160 240.0 3.788 2.804 3.739 0.000 0.000 0.000 3/29160 250.0 3.646 2.704 3.602 0.000 0.000 0.000 3/29160 260.0 3.514 2.612 3.474 0.000 0.000 0.000 3/29160 270.0 3.392 2.526 3.356 0.000 0.000 0.000 3/29160 280.0 3.279 2.445 3.245 0.000 0.000 0.000 3/29160 290.0 3.172 2.369 3.141 0.000 0.000 0.000 3/29160 300.0 3.073 2.298 3.044 0.000 0.000 0.000 3/29160 310.0 2.979 2.231 2.953 0.000 0.000 0.000 3/29160 320.0 2.892 2.168 2.867 0.000 0.000 0.000 3/29160 330.0 2.809 2.109 2.786 0.000 0.000 0.000 3/29160 340.0 2.731 2.052 2.710 0.000 0.000 0.000 3/29160 350.0 2.657 1.999 2.637 0.000 0.000 0.000 3/29160 360.0 2.587 1.948 2.568 0.000 0.000 0.000 3/29160 370.0 2.520 1.900 2.503 0.000 0.000 0.000 3/29160 380.0 2.457 1.854 2.441 0.000 0.000 0.000 3/29160 390.0 2.397 1.810 2.382 0.000 0.000 0.000 3/29160 400.0 2.340 1.768 2.326 0.000 0.000 0.000 3/29160 410.0 2.285 1.728 2.272 0.000 0.000 0.000 3/29160 420.0 2.233 1.690 2.221 0.000 0.000 0.000 3/29160 430.0 2.184 1.653 2.172 0.000 0.000 0.000 3/29160 440.0 2.136 1.618 2.125 0.000 0.000 0.000 3/29160 450.0 2.091 1.585 2.080 0.000 0.000 0.000 3/29160 460.0 2.047 1.552 2.037 0.000 0.000 0.000 3/29160 470.0 2.005 1.521 1.995 0.000 0.000 0.000 3/29160 480.0 1.965 1.492 1.956 0.000 0.000 0.000 3/29160 490.0 1.926 1.463 1.917 0.000 0.000 0.000 3/29160 500.0 1.889 1.435 1.881 0.000 0.000 0.000 3/29160 510.0 1.853 1.409 1.845 0.000 0.000 0.000 3/29160 520.0 1.819 1.383 1.811 0.000 0.000 0.000 3/29160 530.0 1.785 1.358 1.778 0.000 0.000 0.000 3/29160 540.0 1.753 1.334 1.746 0.000 0.000 0.000 3/29160 550.0 1.722 1.311 1.716 0.000 0.000 0.000 3/29160 560.0 1.693 1.289 1.686 0.000 0.000 0.000 3/29160 570.0 1.664 1.267 1.658 0.000 0.000 0.000 3/29160 580.0 1.636 1.247 1.630 0.000 0.000 0.000 3/29160 590.0 1.609 1.226 1.603 0.000 0.000 0.000 3/29160 600.0 1.583 1.207 1.577 0.000 0.000 0.000 3/29160 610.0 1.557 1.188 1.552 0.000 0.000 0.000 3/29160 620.0 1.533 1.169 1.528 0.000 0.000 0.000 3/29160 630.0 1.509 1.152 1.504 0.000 0.000 0.000 3/29160 640.0 1.486 1.134 1.482 0.000 0.000 0.000 3/29160 650.0 1.464 1.117 1.459 0.000 0.000 0.000 3/29160 660.0 1.442 1.101 1.438 0.000 0.000 0.000 3/29160 670.0 1.421 1.085 1.417 0.000 0.000 0.000 3/29160 680.0 1.401 1.070 1.397 0.000 0.000 0.000 3/29160 690.0 1.381 1.055 1.377 0.000 0.000 0.000 3/29160 700.0 1.362 1.040 1.358 0.000 0.000 0.000 3/29160 710.0 1.343 1.026 1.339 0.000 0.000 0.000 3/29160 720.0 1.324 1.012 1.321 0.000 0.000 0.000 3/29160 730.0 1.307 0.999 1.303 0.000 0.000 0.000 3/29160 740.0 1.289 0.986 1.286 0.000 0.000 0.000 3/29160 750.0 1.273 0.973 1.269 0.000 0.000 0.000 3/29160 760.0 1.256 0.961 1.253 0.000 0.000 0.000 3/29160 770.0 1.240 0.949 1.237 0.000 0.000 0.000 3/29160 780.0 1.224 0.937 1.221 0.000 0.000 0.000 3/29160 790.0 1.209 0.925 1.206 0.000 0.000 0.000 3/29160 800.0 1.194 0.914 1.191 0.000 0.000 0.000 3/29160 810.0 1.180 0.903 1.177 0.000 0.000 0.000 3/29160 820.0 1.166 0.892 1.163 0.000 0.000 0.000 3/29160 830.0 1.152 0.882 1.149 0.000 0.000 0.000 3/29160 840.0 1.138 0.871 1.136 0.000 0.000 0.000 3/29160 850.0 1.125 0.861 1.123 0.000 0.000 0.000 3/29160 860.0 1.112 0.852 1.110 0.000 0.000 0.000 3/29160 870.0 1.100 0.842 1.097 0.000 0.000 0.000 3/29160 880.0 1.087 0.833 1.085 0.000 0.000 0.000 3/29160 890.0 1.075 0.824 1.073 0.000 0.000 0.000 3/29160 900.0 1.063 0.815 1.061 0.000 0.000 0.000 3/29160 910.0 1.052 0.806 1.050 0.000 0.000 0.000 3/29160 920.0 1.041 0.797 1.038 0.000 0.000 0.000 3/29160 930.0 1.030 0.789 1.027 0.000 0.000 0.000 3/29160 940.0 1.019 0.781 1.017 0.000 0.000 0.000 3/29160 950.0 1.008 0.773 1.006 0.000 0.000 0.000 3/29160 960.0 0.998 0.765 0.996 0.000 0.000 0.000 3/29160 970.0 0.988 0.757 0.986 0.000 0.000 0.000 3/29160 980.0 0.978 0.749 0.976 0.000 0.000 0.000 3/29160 990.0 0.968 0.742 0.966 0.000 0.000 0.000 3/29160 1000.0 0.958 0.735 0.957 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:54:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|