----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:00:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.752243770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.930753780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.487189530000000 Atomic positions (fractional): *1 Sm 0.93909218725169 0.25000000000000 0.01822739427140 150.360 2 Sm 0.56090781274831 0.75000000000000 0.51822739427140 150.360 3 Sm 0.43909218725169 0.25000000000000 0.48177260572860 150.360 4 Sm 0.06090781274831 0.75000000000000 0.98177260572860 150.360 *5 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 6 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 7 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 8 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 *9 O 0.54691457154760 0.25000000000000 0.88155524244096 15.999 10 O 0.95308542845240 0.75000000000000 0.38155524244096 15.999 11 O 0.04691457154760 0.25000000000000 0.61844475755904 15.999 12 O 0.45308542845240 0.75000000000000 0.11844475755904 15.999 *13 O 0.30268066601241 0.93771823256894 0.69538007923638 15.999 14 O 0.19731933398759 0.06228176743106 0.19538007923638 15.999 15 O 0.80268066601241 0.56228176743106 0.80461992076362 15.999 16 O 0.69731933398759 0.43771823256894 0.30461992076362 15.999 17 O 0.69731933398759 0.06228176743106 0.30461992076362 15.999 18 O 0.80268066601241 0.93771823256894 0.80461992076362 15.999 19 O 0.19731933398759 0.43771823256894 0.19538007923638 15.999 20 O 0.30268066601241 0.56228176743106 0.69538007923638 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.752243770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.930753780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.487189530000000 Atomic positions (fractional): *1 Sm 0.93909218725169 0.25000000000000 0.01822739427140 150.360 > 1 2 Sm 0.56090781274831 0.75000000000000 0.51822739427140 150.360 > 2 3 Sm 0.43909218725169 0.25000000000000 0.48177260572860 150.360 > 3 4 Sm 0.06090781274831 0.75000000000000 0.98177260572860 150.360 > 4 *5 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 5 6 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 6 7 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 7 8 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 8 *9 O 0.54691457154760 0.25000000000000 0.88155524244096 15.999 > 9 10 O 0.95308542845240 0.75000000000000 0.38155524244096 15.999 > 10 11 O 0.04691457154760 0.25000000000000 0.61844475755904 15.999 > 11 12 O 0.45308542845240 0.75000000000000 0.11844475755904 15.999 > 12 *13 O 0.30268066601241 0.93771823256894 0.69538007923638 15.999 > 13 14 O 0.19731933398759 0.06228176743106 0.19538007923638 15.999 > 14 15 O 0.80268066601241 0.56228176743106 0.80461992076362 15.999 > 15 16 O 0.69731933398759 0.43771823256894 0.30461992076362 15.999 > 16 17 O 0.69731933398759 0.06228176743106 0.30461992076362 15.999 > 17 18 O 0.80268066601241 0.93771823256894 0.80461992076362 15.999 > 18 19 O 0.19731933398759 0.43771823256894 0.19538007923638 15.999 > 19 20 O 0.30268066601241 0.56228176743106 0.69538007923638 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.504487540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.930753780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.974379060000000 Atomic positions (fractional): *1 Sm 0.46954609362584 0.25000000000000 0.00911369713570 150.360 > 1 2 Sm 0.96954609362584 0.25000000000000 0.00911369713570 150.360 > 1 3 Sm 0.46954609362584 0.25000000000000 0.50911369713570 150.360 > 1 4 Sm 0.96954609362584 0.25000000000000 0.50911369713570 150.360 > 1 5 Sm 0.28045390637416 0.75000000000000 0.25911369713570 150.360 > 2 6 Sm 0.78045390637416 0.75000000000000 0.25911369713570 150.360 > 2 7 Sm 0.28045390637416 0.75000000000000 0.75911369713570 150.360 > 2 8 Sm 0.78045390637416 0.75000000000000 0.75911369713570 150.360 > 2 9 Sm 0.21954609362584 0.25000000000000 0.24088630286430 150.360 > 3 10 Sm 0.71954609362584 0.25000000000000 0.24088630286430 150.360 > 3 11 Sm 0.21954609362584 0.25000000000000 0.74088630286430 150.360 > 3 12 Sm 0.71954609362584 0.25000000000000 0.74088630286430 150.360 > 3 13 Sm 0.03045390637416 0.75000000000000 0.49088630286430 150.360 > 4 14 Sm 0.53045390637416 0.75000000000000 0.49088630286430 150.360 > 4 15 Sm 0.03045390637416 0.75000000000000 0.99088630286430 150.360 > 4 16 Sm 0.53045390637416 0.75000000000000 0.99088630286430 150.360 > 4 *17 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 5 18 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 5 19 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 5 20 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 5 21 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 6 22 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 6 23 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 6 24 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 6 25 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 7 26 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 7 27 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 7 28 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 7 29 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 8 30 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 8 31 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 8 32 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 8 *33 O 0.27345728577380 0.25000000000000 0.44077762122048 15.999 > 9 34 O 0.77345728577380 0.25000000000000 0.44077762122048 15.999 > 9 35 O 0.27345728577380 0.25000000000000 0.94077762122048 15.999 > 9 36 O 0.77345728577380 0.25000000000000 0.94077762122048 15.999 > 9 37 O 0.47654271422620 0.75000000000000 0.19077762122048 15.999 > 10 38 O 0.97654271422620 0.75000000000000 0.19077762122048 15.999 > 10 39 O 0.47654271422620 0.75000000000000 0.69077762122048 15.999 > 10 40 O 0.97654271422620 0.75000000000000 0.69077762122048 15.999 > 10 41 O 0.02345728577380 0.25000000000000 0.30922237877952 15.999 > 11 42 O 0.52345728577380 0.25000000000000 0.30922237877952 15.999 > 11 43 O 0.02345728577380 0.25000000000000 0.80922237877952 15.999 > 11 44 O 0.52345728577380 0.25000000000000 0.80922237877952 15.999 > 11 45 O 0.22654271422620 0.75000000000000 0.05922237877952 15.999 > 12 46 O 0.72654271422620 0.75000000000000 0.05922237877952 15.999 > 12 47 O 0.22654271422620 0.75000000000000 0.55922237877952 15.999 > 12 48 O 0.72654271422620 0.75000000000000 0.55922237877952 15.999 > 12 *49 O 0.15134033300621 0.93771823256894 0.34769003961819 15.999 > 13 50 O 0.65134033300621 0.93771823256894 0.34769003961819 15.999 > 13 51 O 0.15134033300621 0.93771823256894 0.84769003961819 15.999 > 13 52 O 0.65134033300621 0.93771823256894 0.84769003961819 15.999 > 13 53 O 0.09865966699379 0.06228176743106 0.09769003961819 15.999 > 14 54 O 0.59865966699379 0.06228176743106 0.09769003961819 15.999 > 14 55 O 0.09865966699379 0.06228176743106 0.59769003961819 15.999 > 14 56 O 0.59865966699379 0.06228176743106 0.59769003961819 15.999 > 14 57 O 0.40134033300621 0.56228176743106 0.40230996038181 15.999 > 15 58 O 0.90134033300621 0.56228176743106 0.40230996038181 15.999 > 15 59 O 0.40134033300621 0.56228176743106 0.90230996038181 15.999 > 15 60 O 0.90134033300621 0.56228176743106 0.90230996038181 15.999 > 15 61 O 0.34865966699379 0.43771823256894 0.15230996038181 15.999 > 16 62 O 0.84865966699379 0.43771823256894 0.15230996038181 15.999 > 16 63 O 0.34865966699379 0.43771823256894 0.65230996038181 15.999 > 16 64 O 0.84865966699379 0.43771823256894 0.65230996038181 15.999 > 16 65 O 0.34865966699379 0.06228176743106 0.15230996038181 15.999 > 17 66 O 0.84865966699379 0.06228176743106 0.15230996038181 15.999 > 17 67 O 0.34865966699379 0.06228176743106 0.65230996038181 15.999 > 17 68 O 0.84865966699379 0.06228176743106 0.65230996038181 15.999 > 17 69 O 0.40134033300621 0.93771823256894 0.40230996038181 15.999 > 18 70 O 0.90134033300621 0.93771823256894 0.40230996038181 15.999 > 18 71 O 0.40134033300621 0.93771823256894 0.90230996038181 15.999 > 18 72 O 0.90134033300621 0.93771823256894 0.90230996038181 15.999 > 18 73 O 0.09865966699379 0.43771823256894 0.09769003961819 15.999 > 19 74 O 0.59865966699379 0.43771823256894 0.09769003961819 15.999 > 19 75 O 0.09865966699379 0.43771823256894 0.59769003961819 15.999 > 19 76 O 0.59865966699379 0.43771823256894 0.59769003961819 15.999 > 19 77 O 0.15134033300621 0.56228176743106 0.34769003961819 15.999 > 20 78 O 0.65134033300621 0.56228176743106 0.34769003961819 15.999 > 20 79 O 0.15134033300621 0.56228176743106 0.84769003961819 15.999 > 20 80 O 0.65134033300621 0.56228176743106 0.84769003961819 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9728963 0.0000000 0.0000000 0.0000000 4.7169567 0.0000000 0.0000000 0.0000000 4.9963100 -------------------------- Born effective charges -------------------------- 1 Sm 4.0548997 0.0000000 0.1043229 0.0000000 3.5481186 0.0000000 0.2674233 0.0000000 4.1490911 2 Sm 4.0548997 0.0000000 -0.1043229 0.0000000 3.5481186 0.0000000 -0.2674233 0.0000000 4.1490911 3 Sm 4.0548997 0.0000000 -0.1043229 0.0000000 3.5481186 0.0000000 -0.2674233 0.0000000 4.1490911 4 Sm 4.0548997 0.0000000 0.1043229 0.0000000 3.5481186 0.0000000 0.2674233 0.0000000 4.1490911 5 Sc 4.1212717 0.1449754 -0.1215066 0.1402753 3.9863366 0.0867638 -0.1711475 0.1912414 4.0549109 6 Sc 4.1212717 0.1449754 0.1215066 0.1402753 3.9863366 -0.0867638 0.1711475 -0.1912414 4.0549109 7 Sc 4.1212717 -0.1449754 0.1215066 -0.1402753 3.9863366 0.0867638 0.1711475 0.1912414 4.0549109 8 Sc 4.1212717 -0.1449754 -0.1215066 -0.1402753 3.9863366 -0.0867638 -0.1711475 -0.1912414 4.0549109 9 O -2.2168052 0.0000000 -0.4354608 0.0000000 -3.1177623 0.0000000 -0.4141319 0.0000000 -2.6981993 10 O -2.2168052 0.0000000 0.4354608 0.0000000 -3.1177623 0.0000000 0.4141319 0.0000000 -2.6981993 11 O -2.2168052 0.0000000 0.4354608 0.0000000 -3.1177623 0.0000000 0.4141319 0.0000000 -2.6981993 12 O -2.2168052 0.0000000 -0.4354608 0.0000000 -3.1177623 0.0000000 -0.4141319 0.0000000 -2.6981993 13 O -2.9796831 0.1969614 -0.4387866 0.2327230 -2.2083465 -0.0132162 -0.4087464 0.0302910 -2.7529013 14 O -2.9796831 0.1969614 0.4387866 0.2327230 -2.2083465 0.0132162 0.4087464 -0.0302910 -2.7529013 15 O -2.9796831 -0.1969614 0.4387866 -0.2327230 -2.2083465 -0.0132162 0.4087464 0.0302910 -2.7529013 16 O -2.9796831 -0.1969614 -0.4387866 -0.2327230 -2.2083465 0.0132162 -0.4087464 -0.0302910 -2.7529013 17 O -2.9796831 0.1969614 -0.4387866 0.2327230 -2.2083465 -0.0132162 -0.4087464 0.0302910 -2.7529013 18 O -2.9796831 0.1969614 0.4387866 0.2327230 -2.2083465 0.0132162 0.4087464 -0.0302910 -2.7529013 19 O -2.9796831 -0.1969614 0.4387866 -0.2327230 -2.2083465 -0.0132162 0.4087464 0.0302910 -2.7529013 20 O -2.9796831 -0.1969614 -0.4387866 -0.2327230 -2.2083465 0.0132162 -0.4087464 -0.0302910 -2.7529013 ---------------------------------------------------------------------------- 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: 0.776 Solver_block: 200 / 320 - Time: 0.800 Solver_block: 300 / 320 - Time: 0.783 Solver_block: 320 / 320 - Time: 0.238 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.804 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:00:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:00:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.752243770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.930753780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.487189530000000 Atomic positions (fractional): 1 Sm 0.93909218725169 0.25000000000000 0.01822739427140 150.360 2 Sm 0.56090781274831 0.75000000000000 0.51822739427140 150.360 3 Sm 0.43909218725169 0.25000000000000 0.48177260572860 150.360 4 Sm 0.06090781274831 0.75000000000000 0.98177260572860 150.360 5 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 6 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 7 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 8 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 9 O 0.54691457154760 0.25000000000000 0.88155524244096 15.999 10 O 0.95308542845240 0.75000000000000 0.38155524244096 15.999 11 O 0.04691457154760 0.25000000000000 0.61844475755904 15.999 12 O 0.45308542845240 0.75000000000000 0.11844475755904 15.999 13 O 0.30268066601241 0.93771823256894 0.69538007923638 15.999 14 O 0.19731933398759 0.06228176743106 0.19538007923638 15.999 15 O 0.80268066601241 0.56228176743106 0.80461992076362 15.999 16 O 0.69731933398759 0.43771823256894 0.30461992076362 15.999 17 O 0.69731933398759 0.06228176743106 0.30461992076362 15.999 18 O 0.80268066601241 0.93771823256894 0.80461992076362 15.999 19 O 0.19731933398759 0.43771823256894 0.19538007923638 15.999 20 O 0.30268066601241 0.56228176743106 0.69538007923638 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.504487540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.930753780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.974379060000000 Atomic positions (fractional): 1 Sm 0.46954609362584 0.25000000000000 0.00911369713570 150.360 > 1 2 Sm 0.96954609362584 0.25000000000000 0.00911369713570 150.360 > 1 3 Sm 0.46954609362584 0.25000000000000 0.50911369713570 150.360 > 1 4 Sm 0.96954609362584 0.25000000000000 0.50911369713570 150.360 > 1 5 Sm 0.28045390637416 0.75000000000000 0.25911369713570 150.360 > 5 6 Sm 0.78045390637416 0.75000000000000 0.25911369713570 150.360 > 5 7 Sm 0.28045390637416 0.75000000000000 0.75911369713570 150.360 > 5 8 Sm 0.78045390637416 0.75000000000000 0.75911369713570 150.360 > 5 9 Sm 0.21954609362584 0.25000000000000 0.24088630286430 150.360 > 9 10 Sm 0.71954609362584 0.25000000000000 0.24088630286430 150.360 > 9 11 Sm 0.21954609362584 0.25000000000000 0.74088630286430 150.360 > 9 12 Sm 0.71954609362584 0.25000000000000 0.74088630286430 150.360 > 9 13 Sm 0.03045390637416 0.75000000000000 0.49088630286430 150.360 > 13 14 Sm 0.53045390637416 0.75000000000000 0.49088630286430 150.360 > 13 15 Sm 0.03045390637416 0.75000000000000 0.99088630286430 150.360 > 13 16 Sm 0.53045390637416 0.75000000000000 0.99088630286430 150.360 > 13 17 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 17 18 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 17 19 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 17 20 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 17 21 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 21 22 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 21 23 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 21 24 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 21 25 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 25 26 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 25 27 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 25 28 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 25 29 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 29 30 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 29 31 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 29 32 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 29 33 O 0.27345728577380 0.25000000000000 0.44077762122048 15.999 > 33 34 O 0.77345728577380 0.25000000000000 0.44077762122048 15.999 > 33 35 O 0.27345728577380 0.25000000000000 0.94077762122048 15.999 > 33 36 O 0.77345728577380 0.25000000000000 0.94077762122048 15.999 > 33 37 O 0.47654271422620 0.75000000000000 0.19077762122048 15.999 > 37 38 O 0.97654271422620 0.75000000000000 0.19077762122048 15.999 > 37 39 O 0.47654271422620 0.75000000000000 0.69077762122048 15.999 > 37 40 O 0.97654271422620 0.75000000000000 0.69077762122048 15.999 > 37 41 O 0.02345728577380 0.25000000000000 0.30922237877952 15.999 > 41 42 O 0.52345728577380 0.25000000000000 0.30922237877952 15.999 > 41 43 O 0.02345728577380 0.25000000000000 0.80922237877952 15.999 > 41 44 O 0.52345728577380 0.25000000000000 0.80922237877952 15.999 > 41 45 O 0.22654271422620 0.75000000000000 0.05922237877952 15.999 > 45 46 O 0.72654271422620 0.75000000000000 0.05922237877952 15.999 > 45 47 O 0.22654271422620 0.75000000000000 0.55922237877952 15.999 > 45 48 O 0.72654271422620 0.75000000000000 0.55922237877952 15.999 > 45 49 O 0.15134033300621 0.93771823256894 0.34769003961819 15.999 > 49 50 O 0.65134033300621 0.93771823256894 0.34769003961819 15.999 > 49 51 O 0.15134033300621 0.93771823256894 0.84769003961819 15.999 > 49 52 O 0.65134033300621 0.93771823256894 0.84769003961819 15.999 > 49 53 O 0.09865966699379 0.06228176743106 0.09769003961819 15.999 > 53 54 O 0.59865966699379 0.06228176743106 0.09769003961819 15.999 > 53 55 O 0.09865966699379 0.06228176743106 0.59769003961819 15.999 > 53 56 O 0.59865966699379 0.06228176743106 0.59769003961819 15.999 > 53 57 O 0.40134033300621 0.56228176743106 0.40230996038181 15.999 > 57 58 O 0.90134033300621 0.56228176743106 0.40230996038181 15.999 > 57 59 O 0.40134033300621 0.56228176743106 0.90230996038181 15.999 > 57 60 O 0.90134033300621 0.56228176743106 0.90230996038181 15.999 > 57 61 O 0.34865966699379 0.43771823256894 0.15230996038181 15.999 > 61 62 O 0.84865966699379 0.43771823256894 0.15230996038181 15.999 > 61 63 O 0.34865966699379 0.43771823256894 0.65230996038181 15.999 > 61 64 O 0.84865966699379 0.43771823256894 0.65230996038181 15.999 > 61 65 O 0.34865966699379 0.06228176743106 0.15230996038181 15.999 > 65 66 O 0.84865966699379 0.06228176743106 0.15230996038181 15.999 > 65 67 O 0.34865966699379 0.06228176743106 0.65230996038181 15.999 > 65 68 O 0.84865966699379 0.06228176743106 0.65230996038181 15.999 > 65 69 O 0.40134033300621 0.93771823256894 0.40230996038181 15.999 > 69 70 O 0.90134033300621 0.93771823256894 0.40230996038181 15.999 > 69 71 O 0.40134033300621 0.93771823256894 0.90230996038181 15.999 > 69 72 O 0.90134033300621 0.93771823256894 0.90230996038181 15.999 > 69 73 O 0.09865966699379 0.43771823256894 0.09769003961819 15.999 > 73 74 O 0.59865966699379 0.43771823256894 0.09769003961819 15.999 > 73 75 O 0.09865966699379 0.43771823256894 0.59769003961819 15.999 > 73 76 O 0.59865966699379 0.43771823256894 0.59769003961819 15.999 > 73 77 O 0.15134033300621 0.56228176743106 0.34769003961819 15.999 > 77 78 O 0.65134033300621 0.56228176743106 0.34769003961819 15.999 > 77 79 O 0.15134033300621 0.56228176743106 0.84769003961819 15.999 > 77 80 O 0.65134033300621 0.56228176743106 0.84769003961819 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9728963 0.0000000 0.0000000 0.0000000 4.7169567 0.0000000 0.0000000 0.0000000 4.9963100 -------------------------- Born effective charges -------------------------- 1 Sm 4.0548997 0.0000000 0.1043229 0.0000000 3.5481186 0.0000000 0.2674233 0.0000000 4.1490911 2 Sm 4.0548997 0.0000000 -0.1043229 0.0000000 3.5481186 0.0000000 -0.2674233 0.0000000 4.1490911 3 Sm 4.0548997 0.0000000 -0.1043229 0.0000000 3.5481186 0.0000000 -0.2674233 0.0000000 4.1490911 4 Sm 4.0548997 0.0000000 0.1043229 0.0000000 3.5481186 0.0000000 0.2674233 0.0000000 4.1490911 5 Sc 4.1212717 0.1449754 -0.1215066 0.1402753 3.9863366 0.0867638 -0.1711475 0.1912414 4.0549109 6 Sc 4.1212717 0.1449754 0.1215066 0.1402753 3.9863366 -0.0867638 0.1711475 -0.1912414 4.0549109 7 Sc 4.1212717 -0.1449754 0.1215066 -0.1402753 3.9863366 0.0867638 0.1711475 0.1912414 4.0549109 8 Sc 4.1212717 -0.1449754 -0.1215066 -0.1402753 3.9863366 -0.0867638 -0.1711475 -0.1912414 4.0549109 9 O -2.2168052 0.0000000 -0.4354608 0.0000000 -3.1177623 0.0000000 -0.4141319 0.0000000 -2.6981993 10 O -2.2168052 0.0000000 0.4354608 0.0000000 -3.1177623 0.0000000 0.4141319 0.0000000 -2.6981993 11 O -2.2168052 0.0000000 0.4354608 0.0000000 -3.1177623 0.0000000 0.4141319 0.0000000 -2.6981993 12 O -2.2168052 0.0000000 -0.4354608 0.0000000 -3.1177623 0.0000000 -0.4141319 0.0000000 -2.6981993 13 O -2.9796831 0.1969614 -0.4387866 0.2327230 -2.2083465 -0.0132162 -0.4087464 0.0302910 -2.7529013 14 O -2.9796831 0.1969614 0.4387866 0.2327230 -2.2083465 0.0132162 0.4087464 -0.0302910 -2.7529013 15 O -2.9796831 -0.1969614 0.4387866 -0.2327230 -2.2083465 -0.0132162 0.4087464 0.0302910 -2.7529013 16 O -2.9796831 -0.1969614 -0.4387866 -0.2327230 -2.2083465 0.0132162 -0.4087464 -0.0302910 -2.7529013 17 O -2.9796831 0.1969614 -0.4387866 0.2327230 -2.2083465 -0.0132162 -0.4087464 0.0302910 -2.7529013 18 O -2.9796831 0.1969614 0.4387866 0.2327230 -2.2083465 0.0132162 0.4087464 -0.0302910 -2.7529013 19 O -2.9796831 -0.1969614 0.4387866 -0.2327230 -2.2083465 -0.0132162 0.4087464 0.0302910 -2.7529013 20 O -2.9796831 -0.1969614 -0.4387866 -0.2327230 -2.2083465 0.0132162 -0.4087464 -0.0302910 -2.7529013 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (yzy) 0.00000006 (yzy) 0.00000006 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (xz) 0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:01:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:01:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.752243770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.930753780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.487189530000000 Atomic positions (fractional): 1 Sm 0.93909218725169 0.25000000000000 0.01822739427140 150.360 2 Sm 0.56090781274831 0.75000000000000 0.51822739427140 150.360 3 Sm 0.43909218725169 0.25000000000000 0.48177260572860 150.360 4 Sm 0.06090781274831 0.75000000000000 0.98177260572860 150.360 5 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 6 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 7 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 8 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 9 O 0.54691457154760 0.25000000000000 0.88155524244096 15.999 10 O 0.95308542845240 0.75000000000000 0.38155524244096 15.999 11 O 0.04691457154760 0.25000000000000 0.61844475755904 15.999 12 O 0.45308542845240 0.75000000000000 0.11844475755904 15.999 13 O 0.30268066601241 0.93771823256894 0.69538007923638 15.999 14 O 0.19731933398759 0.06228176743106 0.19538007923638 15.999 15 O 0.80268066601241 0.56228176743106 0.80461992076362 15.999 16 O 0.69731933398759 0.43771823256894 0.30461992076362 15.999 17 O 0.69731933398759 0.06228176743106 0.30461992076362 15.999 18 O 0.80268066601241 0.93771823256894 0.80461992076362 15.999 19 O 0.19731933398759 0.43771823256894 0.19538007923638 15.999 20 O 0.30268066601241 0.56228176743106 0.69538007923638 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.504487540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.930753780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.974379060000000 Atomic positions (fractional): 1 Sm 0.46954609362584 0.25000000000000 0.00911369713570 150.360 > 1 2 Sm 0.96954609362584 0.25000000000000 0.00911369713570 150.360 > 1 3 Sm 0.46954609362584 0.25000000000000 0.50911369713570 150.360 > 1 4 Sm 0.96954609362584 0.25000000000000 0.50911369713570 150.360 > 1 5 Sm 0.28045390637416 0.75000000000000 0.25911369713570 150.360 > 5 6 Sm 0.78045390637416 0.75000000000000 0.25911369713570 150.360 > 5 7 Sm 0.28045390637416 0.75000000000000 0.75911369713570 150.360 > 5 8 Sm 0.78045390637416 0.75000000000000 0.75911369713570 150.360 > 5 9 Sm 0.21954609362584 0.25000000000000 0.24088630286430 150.360 > 9 10 Sm 0.71954609362584 0.25000000000000 0.24088630286430 150.360 > 9 11 Sm 0.21954609362584 0.25000000000000 0.74088630286430 150.360 > 9 12 Sm 0.71954609362584 0.25000000000000 0.74088630286430 150.360 > 9 13 Sm 0.03045390637416 0.75000000000000 0.49088630286430 150.360 > 13 14 Sm 0.53045390637416 0.75000000000000 0.49088630286430 150.360 > 13 15 Sm 0.03045390637416 0.75000000000000 0.99088630286430 150.360 > 13 16 Sm 0.53045390637416 0.75000000000000 0.99088630286430 150.360 > 13 17 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 17 18 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 17 19 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 17 20 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 17 21 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 21 22 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 21 23 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 21 24 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 21 25 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 25 26 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 25 27 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 25 28 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 25 29 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 29 30 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 29 31 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 29 32 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 29 33 O 0.27345728577380 0.25000000000000 0.44077762122048 15.999 > 33 34 O 0.77345728577380 0.25000000000000 0.44077762122048 15.999 > 33 35 O 0.27345728577380 0.25000000000000 0.94077762122048 15.999 > 33 36 O 0.77345728577380 0.25000000000000 0.94077762122048 15.999 > 33 37 O 0.47654271422620 0.75000000000000 0.19077762122048 15.999 > 37 38 O 0.97654271422620 0.75000000000000 0.19077762122048 15.999 > 37 39 O 0.47654271422620 0.75000000000000 0.69077762122048 15.999 > 37 40 O 0.97654271422620 0.75000000000000 0.69077762122048 15.999 > 37 41 O 0.02345728577380 0.25000000000000 0.30922237877952 15.999 > 41 42 O 0.52345728577380 0.25000000000000 0.30922237877952 15.999 > 41 43 O 0.02345728577380 0.25000000000000 0.80922237877952 15.999 > 41 44 O 0.52345728577380 0.25000000000000 0.80922237877952 15.999 > 41 45 O 0.22654271422620 0.75000000000000 0.05922237877952 15.999 > 45 46 O 0.72654271422620 0.75000000000000 0.05922237877952 15.999 > 45 47 O 0.22654271422620 0.75000000000000 0.55922237877952 15.999 > 45 48 O 0.72654271422620 0.75000000000000 0.55922237877952 15.999 > 45 49 O 0.15134033300621 0.93771823256894 0.34769003961819 15.999 > 49 50 O 0.65134033300621 0.93771823256894 0.34769003961819 15.999 > 49 51 O 0.15134033300621 0.93771823256894 0.84769003961819 15.999 > 49 52 O 0.65134033300621 0.93771823256894 0.84769003961819 15.999 > 49 53 O 0.09865966699379 0.06228176743106 0.09769003961819 15.999 > 53 54 O 0.59865966699379 0.06228176743106 0.09769003961819 15.999 > 53 55 O 0.09865966699379 0.06228176743106 0.59769003961819 15.999 > 53 56 O 0.59865966699379 0.06228176743106 0.59769003961819 15.999 > 53 57 O 0.40134033300621 0.56228176743106 0.40230996038181 15.999 > 57 58 O 0.90134033300621 0.56228176743106 0.40230996038181 15.999 > 57 59 O 0.40134033300621 0.56228176743106 0.90230996038181 15.999 > 57 60 O 0.90134033300621 0.56228176743106 0.90230996038181 15.999 > 57 61 O 0.34865966699379 0.43771823256894 0.15230996038181 15.999 > 61 62 O 0.84865966699379 0.43771823256894 0.15230996038181 15.999 > 61 63 O 0.34865966699379 0.43771823256894 0.65230996038181 15.999 > 61 64 O 0.84865966699379 0.43771823256894 0.65230996038181 15.999 > 61 65 O 0.34865966699379 0.06228176743106 0.15230996038181 15.999 > 65 66 O 0.84865966699379 0.06228176743106 0.15230996038181 15.999 > 65 67 O 0.34865966699379 0.06228176743106 0.65230996038181 15.999 > 65 68 O 0.84865966699379 0.06228176743106 0.65230996038181 15.999 > 65 69 O 0.40134033300621 0.93771823256894 0.40230996038181 15.999 > 69 70 O 0.90134033300621 0.93771823256894 0.40230996038181 15.999 > 69 71 O 0.40134033300621 0.93771823256894 0.90230996038181 15.999 > 69 72 O 0.90134033300621 0.93771823256894 0.90230996038181 15.999 > 69 73 O 0.09865966699379 0.43771823256894 0.09769003961819 15.999 > 73 74 O 0.59865966699379 0.43771823256894 0.09769003961819 15.999 > 73 75 O 0.09865966699379 0.43771823256894 0.59769003961819 15.999 > 73 76 O 0.59865966699379 0.43771823256894 0.59769003961819 15.999 > 73 77 O 0.15134033300621 0.56228176743106 0.34769003961819 15.999 > 77 78 O 0.65134033300621 0.56228176743106 0.34769003961819 15.999 > 77 79 O 0.15134033300621 0.56228176743106 0.84769003961819 15.999 > 77 80 O 0.65134033300621 0.56228176743106 0.84769003961819 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9728963 0.0000000 0.0000000 0.0000000 4.7169567 0.0000000 0.0000000 0.0000000 4.9963100 -------------------------- Born effective charges -------------------------- 1 Sm 4.0548997 0.0000000 0.1043229 0.0000000 3.5481186 0.0000000 0.2674233 0.0000000 4.1490911 2 Sm 4.0548997 0.0000000 -0.1043229 0.0000000 3.5481186 0.0000000 -0.2674233 0.0000000 4.1490911 3 Sm 4.0548997 0.0000000 -0.1043229 0.0000000 3.5481186 0.0000000 -0.2674233 0.0000000 4.1490911 4 Sm 4.0548997 0.0000000 0.1043229 0.0000000 3.5481186 0.0000000 0.2674233 0.0000000 4.1490911 5 Sc 4.1212717 0.1449754 -0.1215066 0.1402753 3.9863366 0.0867638 -0.1711475 0.1912414 4.0549109 6 Sc 4.1212717 0.1449754 0.1215066 0.1402753 3.9863366 -0.0867638 0.1711475 -0.1912414 4.0549109 7 Sc 4.1212717 -0.1449754 0.1215066 -0.1402753 3.9863366 0.0867638 0.1711475 0.1912414 4.0549109 8 Sc 4.1212717 -0.1449754 -0.1215066 -0.1402753 3.9863366 -0.0867638 -0.1711475 -0.1912414 4.0549109 9 O -2.2168052 0.0000000 -0.4354608 0.0000000 -3.1177623 0.0000000 -0.4141319 0.0000000 -2.6981993 10 O -2.2168052 0.0000000 0.4354608 0.0000000 -3.1177623 0.0000000 0.4141319 0.0000000 -2.6981993 11 O -2.2168052 0.0000000 0.4354608 0.0000000 -3.1177623 0.0000000 0.4141319 0.0000000 -2.6981993 12 O -2.2168052 0.0000000 -0.4354608 0.0000000 -3.1177623 0.0000000 -0.4141319 0.0000000 -2.6981993 13 O -2.9796831 0.1969614 -0.4387866 0.2327230 -2.2083465 -0.0132162 -0.4087464 0.0302910 -2.7529013 14 O -2.9796831 0.1969614 0.4387866 0.2327230 -2.2083465 0.0132162 0.4087464 -0.0302910 -2.7529013 15 O -2.9796831 -0.1969614 0.4387866 -0.2327230 -2.2083465 -0.0132162 0.4087464 0.0302910 -2.7529013 16 O -2.9796831 -0.1969614 -0.4387866 -0.2327230 -2.2083465 0.0132162 -0.4087464 -0.0302910 -2.7529013 17 O -2.9796831 0.1969614 -0.4387866 0.2327230 -2.2083465 -0.0132162 -0.4087464 0.0302910 -2.7529013 18 O -2.9796831 0.1969614 0.4387866 0.2327230 -2.2083465 0.0132162 0.4087464 -0.0302910 -2.7529013 19 O -2.9796831 -0.1969614 0.4387866 -0.2327230 -2.2083465 -0.0132162 0.4087464 0.0302910 -2.7529013 20 O -2.9796831 -0.1969614 -0.4387866 -0.2327230 -2.2083465 0.0132162 -0.4087464 -0.0302910 -2.7529013 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (yzy) 0.00000006 (yzy) 0.00000006 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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: 0.66, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 6.319 ( 0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.144 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.606 ( 0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 0.000) 0.000 9.380 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 10.064 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 0.000) 0.000 10.200 ( 0.000 0.000 0.000) 0.000 10.727 ( 0.000 0.000 0.000) 0.000 11.084 ( 0.000 0.000 0.000) 0.000 11.162 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.229 ( 0.000 0.000 0.000) 0.000 12.196 ( 0.000 0.000 0.000) 0.000 12.318 ( 0.000 0.000 0.000) 0.000 12.778 ( 0.000 0.000 0.000) 0.000 13.006 ( 0.000 0.000 0.000) 0.000 13.212 ( 0.000 0.000 0.000) 0.000 13.241 ( 0.000 0.000 0.000) 0.000 13.355 ( 0.000 0.000 0.000) 0.000 13.799 ( 0.000 0.000 0.000) 0.000 14.114 ( 0.000 0.000 0.000) 0.000 14.166 ( 0.000 0.000 0.000) 0.000 14.300 ( 0.000 0.000 0.000) 0.000 14.441 ( 0.000 0.000 0.000) 0.000 14.518 ( 0.000 0.000 0.000) 0.000 14.648 ( 0.000 0.000 0.000) 0.000 14.815 ( 0.000 0.000 0.000) 0.000 15.454 ( 0.000 0.000 0.000) 0.000 15.493 ( 0.000 0.000 0.000) 0.000 16.083 ( 0.000 0.000 0.000) 0.000 18.059 ( 0.000 0.000 0.000) 0.000 19.425 ( 0.000 0.000 0.000) 0.000 19.764 ( 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: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 34.436 0.000 0.000) 34.436 0.767 ( 39.019 0.000 0.000) 39.019 1.296 ( 63.856 0.000 0.000) 63.856 2.555 ( 2.770 0.000 0.000) 2.770 3.010 ( -3.697 0.000 0.000) 3.697 3.346 ( -1.767 0.000 0.000) 1.767 3.361 ( -2.844 0.000 0.000) 2.844 3.376 ( -6.213 0.000 0.000) 6.213 3.479 ( 2.820 0.000 0.000) 2.820 3.534 ( -14.304 0.000 0.000) 14.304 3.740 ( -0.682 0.000 0.000) 0.682 4.222 ( 10.465 0.000 0.000) 10.465 4.618 ( -10.965 0.000 0.000) 10.965 4.824 ( 3.163 0.000 0.000) 3.163 5.139 ( 12.592 0.000 0.000) 12.592 5.560 ( 0.829 0.000 0.000) 0.829 6.376 ( -1.893 0.000 0.000) 1.893 6.486 ( 14.669 0.000 0.000) 14.669 6.639 ( -0.223 0.000 0.000) 0.223 7.022 ( -8.315 0.000 0.000) 8.315 7.354 ( 6.628 0.000 0.000) 6.628 7.482 ( 10.347 0.000 0.000) 10.347 8.248 ( -5.499 0.000 0.000) 5.499 8.467 ( -12.692 0.000 0.000) 12.692 8.530 ( -3.681 0.000 0.000) 3.681 8.562 ( 3.708 0.000 0.000) 3.708 8.734 ( 1.426 0.000 0.000) 1.426 8.865 ( 1.529 0.000 0.000) 1.529 9.340 ( -3.731 0.000 0.000) 3.731 9.710 ( 4.996 0.000 0.000) 4.996 9.818 ( 9.465 0.000 0.000) 9.465 10.148 ( 6.490 0.000 0.000) 6.490 10.163 ( -4.122 0.000 0.000) 4.122 10.666 ( 1.845 0.000 0.000) 1.845 10.956 ( -9.165 0.000 0.000) 9.165 11.148 ( -5.089 0.000 0.000) 5.089 11.241 ( 4.927 0.000 0.000) 4.927 11.246 ( 1.452 0.000 0.000) 1.452 11.801 ( -17.725 0.000 0.000) 17.725 12.238 ( -6.476 0.000 0.000) 6.476 12.399 ( 7.017 0.000 0.000) 7.017 12.829 ( -12.711 0.000 0.000) 12.711 13.193 ( -4.826 0.000 0.000) 4.826 13.298 ( -6.968 0.000 0.000) 6.968 13.373 ( 11.017 0.000 0.000) 11.017 13.811 ( 1.308 0.000 0.000) 1.308 13.992 ( 12.859 0.000 0.000) 12.859 14.113 ( 0.020 0.000 0.000) 0.020 14.166 ( -0.062 0.000 0.000) 0.062 14.351 ( 5.786 0.000 0.000) 5.786 14.520 ( 0.085 0.000 0.000) 0.085 14.637 ( -1.158 0.000 0.000) 1.158 14.826 ( 1.175 0.000 0.000) 1.175 15.358 ( -5.232 0.000 0.000) 5.232 15.603 ( 6.309 0.000 0.000) 6.309 15.964 ( -3.394 0.000 0.000) 3.394 18.137 ( 8.025 0.000 0.000) 8.025 19.433 ( 0.841 0.000 0.000) 0.841 19.754 ( -1.136 0.000 0.000) 1.136 19.927 ( -2.506 0.000 0.000) 2.506 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 30.303 0.000 0.000) 30.303 1.491 ( 35.423 0.000 0.000) 35.423 2.376 ( 44.482 0.000 0.000) 44.482 2.600 ( 0.954 0.000 0.000) 0.954 2.908 ( -6.567 0.000 0.000) 6.567 3.191 ( -19.493 0.000 0.000) 19.493 3.232 ( -7.665 0.000 0.000) 7.665 3.298 ( -2.758 0.000 0.000) 2.758 3.327 ( 1.044 0.000 0.000) 1.044 3.562 ( 5.254 0.000 0.000) 5.254 3.733 ( 0.620 0.000 0.000) 0.620 4.337 ( -17.316 0.000 0.000) 17.316 4.437 ( 10.335 0.000 0.000) 10.335 4.885 ( 2.418 0.000 0.000) 2.418 5.459 ( 19.684 0.000 0.000) 19.684 5.665 ( 10.154 0.000 0.000) 10.154 6.361 ( 1.939 0.000 0.000) 1.939 6.626 ( -1.400 0.000 0.000) 1.400 6.796 ( 15.886 0.000 0.000) 15.886 6.872 ( -7.144 0.000 0.000) 7.144 7.521 ( 9.149 0.000 0.000) 9.149 7.676 ( 9.078 0.000 0.000) 9.078 8.106 ( -8.322 0.000 0.000) 8.322 8.204 ( -11.662 0.000 0.000) 11.662 8.425 ( -8.158 0.000 0.000) 8.158 8.666 ( 6.862 0.000 0.000) 6.862 8.766 ( 1.814 0.000 0.000) 1.814 8.891 ( 1.144 0.000 0.000) 1.144 9.255 ( -4.541 0.000 0.000) 4.541 9.826 ( 4.038 0.000 0.000) 4.038 10.016 ( 9.683 0.000 0.000) 9.683 10.043 ( -5.750 0.000 0.000) 5.750 10.232 ( -1.212 0.000 0.000) 1.212 10.709 ( 2.190 0.000 0.000) 2.190 10.808 ( -3.727 0.000 0.000) 3.727 11.010 ( -8.661 0.000 0.000) 8.661 11.271 ( 0.891 0.000 0.000) 0.891 11.349 ( 6.854 0.000 0.000) 6.854 11.501 ( -12.682 0.000 0.000) 12.682 12.151 ( -1.034 0.000 0.000) 1.034 12.427 ( -3.117 0.000 0.000) 3.117 12.573 ( -13.556 0.000 0.000) 13.556 13.062 ( -8.651 0.000 0.000) 8.651 13.071 ( -15.800 0.000 0.000) 15.800 13.578 ( 9.876 0.000 0.000) 9.876 13.852 ( 2.991 0.000 0.000) 2.991 14.119 ( 0.662 0.000 0.000) 0.662 14.159 ( -0.799 0.000 0.000) 0.799 14.327 ( 20.318 0.000 0.000) 20.318 14.517 ( -0.506 0.000 0.000) 0.506 14.521 ( 10.930 0.000 0.000) 10.930 14.603 ( -2.366 0.000 0.000) 2.366 14.863 ( 2.879 0.000 0.000) 2.879 15.268 ( -3.878 0.000 0.000) 3.878 15.699 ( 3.010 0.000 0.000) 3.010 15.866 ( -6.672 0.000 0.000) 6.672 18.362 ( 14.834 0.000 0.000) 14.834 19.458 ( 1.795 0.000 0.000) 1.795 19.709 ( -3.917 0.000 0.000) 3.917 19.859 ( -4.353 0.000 0.000) 4.353 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 24.570 0.000 0.000) 24.570 2.106 ( 26.963 0.000 0.000) 26.963 2.565 ( -4.395 0.000 0.000) 4.395 2.761 ( -8.702 0.000 0.000) 8.702 2.852 ( -13.517 0.000 0.000) 13.517 2.903 ( 12.523 0.000 0.000) 12.523 3.108 ( -5.319 0.000 0.000) 5.319 3.249 ( -2.291 0.000 0.000) 2.291 3.421 ( 5.416 0.000 0.000) 5.416 3.660 ( 3.770 0.000 0.000) 3.770 3.807 ( 7.257 0.000 0.000) 7.257 3.993 ( -16.267 0.000 0.000) 16.267 4.600 ( 6.757 0.000 0.000) 6.757 4.895 ( -1.687 0.000 0.000) 1.687 5.864 ( 21.340 0.000 0.000) 21.340 5.920 ( 14.990 0.000 0.000) 14.990 6.529 ( 16.933 0.000 0.000) 16.933 6.571 ( -4.633 0.000 0.000) 4.633 6.735 ( -7.402 0.000 0.000) 7.402 7.068 ( 11.989 0.000 0.000) 11.989 7.577 ( -5.310 0.000 0.000) 5.310 7.818 ( 5.474 0.000 0.000) 5.474 7.942 ( -9.423 0.000 0.000) 9.423 8.176 ( 10.950 0.000 0.000) 10.950 8.194 ( -15.112 0.000 0.000) 15.112 8.802 ( 5.766 0.000 0.000) 5.766 8.808 ( 2.649 0.000 0.000) 2.649 8.906 ( 0.381 0.000 0.000) 0.381 9.183 ( -2.483 0.000 0.000) 2.483 9.660 ( -16.334 0.000 0.000) 16.334 10.078 ( -11.275 0.000 0.000) 11.275 10.141 ( 1.872 0.000 0.000) 1.872 10.154 ( 13.045 0.000 0.000) 13.045 10.728 ( -1.024 0.000 0.000) 1.024 10.819 ( 2.274 0.000 0.000) 2.274 10.851 ( -6.346 0.000 0.000) 6.346 11.282 ( 0.326 0.000 0.000) 0.326 11.326 ( -5.400 0.000 0.000) 5.400 11.524 ( 11.268 0.000 0.000) 11.268 12.212 ( 6.876 0.000 0.000) 6.876 12.309 ( -13.808 0.000 0.000) 13.808 12.335 ( -4.825 0.000 0.000) 4.825 12.737 ( -17.388 0.000 0.000) 17.388 12.865 ( -11.483 0.000 0.000) 11.483 13.752 ( 8.109 0.000 0.000) 8.109 13.922 ( 3.888 0.000 0.000) 3.888 14.133 ( -1.818 0.000 0.000) 1.818 14.136 ( 0.761 0.000 0.000) 0.761 14.500 ( -1.081 0.000 0.000) 1.081 14.549 ( -3.030 0.000 0.000) 3.030 14.686 ( 13.510 0.000 0.000) 13.510 14.728 ( 9.240 0.000 0.000) 9.240 14.973 ( 10.620 0.000 0.000) 10.620 15.224 ( -0.007 0.000 0.000) 0.007 15.701 ( -3.168 0.000 0.000) 3.168 15.711 ( -9.213 0.000 0.000) 9.213 18.691 ( 18.602 0.000 0.000) 18.602 19.504 ( 2.964 0.000 0.000) 2.964 19.590 ( -8.673 0.000 0.000) 8.673 19.765 ( -5.214 0.000 0.000) 5.214 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 18.361 0.000 0.000) 18.361 2.428 ( 4.579 0.000 0.000) 4.579 2.475 ( -3.542 0.000 0.000) 3.542 2.558 ( -12.708 0.000 0.000) 12.708 2.787 ( 8.605 0.000 0.000) 8.605 2.986 ( -8.504 0.000 0.000) 8.504 3.074 ( 7.785 0.000 0.000) 7.785 3.196 ( -4.062 0.000 0.000) 4.062 3.476 ( 2.344 0.000 0.000) 2.344 3.589 ( -9.439 0.000 0.000) 9.439 3.865 ( 2.438 0.000 0.000) 2.438 3.904 ( 0.766 0.000 0.000) 0.766 4.717 ( 5.772 0.000 0.000) 5.772 4.825 ( -5.106 0.000 0.000) 5.106 6.204 ( 13.802 0.000 0.000) 13.802 6.251 ( 18.024 0.000 0.000) 18.024 6.434 ( -9.657 0.000 0.000) 9.657 6.543 ( -12.031 0.000 0.000) 12.031 7.023 ( 30.954 0.000 0.000) 30.954 7.262 ( 8.524 0.000 0.000) 8.524 7.422 ( -8.546 0.000 0.000) 8.546 7.612 ( -26.612 0.000 0.000) 26.612 7.895 ( 3.062 0.000 0.000) 3.062 7.969 ( -6.007 0.000 0.000) 6.007 8.502 ( 19.047 0.000 0.000) 19.047 8.795 ( -8.554 0.000 0.000) 8.554 8.866 ( 2.947 0.000 0.000) 2.947 8.903 ( -0.852 0.000 0.000) 0.852 9.186 ( 3.722 0.000 0.000) 3.722 9.353 ( -13.441 0.000 0.000) 13.441 9.951 ( 0.666 0.000 0.000) 0.666 10.067 ( -8.007 0.000 0.000) 8.007 10.425 ( 13.722 0.000 0.000) 13.722 10.643 ( -8.092 0.000 0.000) 8.092 10.804 ( 0.931 0.000 0.000) 0.931 10.833 ( -0.965 0.000 0.000) 0.965 11.277 ( -0.387 0.000 0.000) 0.387 11.282 ( -0.363 0.000 0.000) 0.363 11.770 ( 13.733 0.000 0.000) 13.733 12.040 ( -14.000 0.000 0.000) 14.000 12.298 ( 2.098 0.000 0.000) 2.098 12.379 ( 6.257 0.000 0.000) 6.257 12.457 ( -7.054 0.000 0.000) 7.054 12.631 ( -12.334 0.000 0.000) 12.334 13.890 ( 6.051 0.000 0.000) 6.051 13.966 ( -0.815 0.000 0.000) 0.815 14.110 ( 0.473 0.000 0.000) 0.473 14.136 ( -0.996 0.000 0.000) 0.996 14.484 ( -0.340 0.000 0.000) 0.340 14.498 ( -1.879 0.000 0.000) 1.879 14.822 ( 2.958 0.000 0.000) 2.958 14.837 ( 1.808 0.000 0.000) 1.808 15.253 ( 14.019 0.000 0.000) 14.019 15.290 ( 6.211 0.000 0.000) 6.211 15.530 ( -8.117 0.000 0.000) 8.117 15.575 ( -9.212 0.000 0.000) 9.212 19.053 ( 18.150 0.000 0.000) 18.150 19.369 ( -14.152 0.000 0.000) 14.152 19.573 ( 4.204 0.000 0.000) 4.204 19.664 ( -5.091 0.000 0.000) 5.091 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.000 34.011 0.000) 34.011 0.824 ( 0.000 38.389 0.000) 38.389 1.306 ( 0.000 56.485 0.000) 56.485 2.543 ( 0.000 0.168 0.000) 0.168 2.837 ( 0.000 -11.807 0.000) 11.807 3.262 ( 0.000 -12.247 0.000) 12.247 3.381 ( 0.000 0.686 0.000) 0.686 3.383 ( 0.000 -5.587 0.000) 5.587 3.504 ( 0.000 7.108 0.000) 7.108 3.646 ( 0.000 -7.346 0.000) 7.346 3.843 ( 0.000 10.735 0.000) 10.735 4.611 ( 0.000 -9.634 0.000) 9.634 4.816 ( 0.000 0.975 0.000) 0.975 4.987 ( 0.000 -1.988 0.000) 1.988 5.383 ( 0.000 6.546 0.000) 6.546 5.716 ( 0.000 11.563 0.000) 11.563 5.878 ( 0.000 -2.813 0.000) 2.813 6.346 ( 0.000 2.592 0.000) 2.592 6.896 ( 0.000 22.959 0.000) 22.959 6.986 ( 0.000 -5.608 0.000) 5.608 7.072 ( 0.000 -6.683 0.000) 6.683 7.327 ( 0.000 3.824 0.000) 3.824 8.160 ( 0.000 -11.511 0.000) 11.511 8.388 ( 0.000 5.282 0.000) 5.282 8.561 ( 0.000 -3.269 0.000) 3.269 8.585 ( 0.000 1.301 0.000) 1.301 8.937 ( 0.000 5.628 0.000) 5.628 9.199 ( 0.000 -8.366 0.000) 8.366 9.433 ( 0.000 2.425 0.000) 2.425 9.620 ( 0.000 -3.600 0.000) 3.600 9.771 ( 0.000 3.588 0.000) 3.588 9.957 ( 0.000 -9.182 0.000) 9.182 10.195 ( 0.000 0.971 0.000) 0.971 10.533 ( 0.000 2.395 0.000) 2.395 10.714 ( 0.000 -0.831 0.000) 0.831 11.125 ( 0.000 -9.433 0.000) 9.433 11.176 ( 0.000 7.577 0.000) 7.577 11.253 ( 0.000 5.340 0.000) 5.340 12.071 ( 0.000 -10.355 0.000) 10.355 12.218 ( 0.000 -8.784 0.000) 8.784 12.774 ( 0.000 -0.241 0.000) 0.241 13.046 ( 0.000 -8.167 0.000) 8.167 13.070 ( 0.000 5.128 0.000) 5.128 13.280 ( 0.000 4.398 0.000) 4.398 13.369 ( 0.000 2.890 0.000) 2.890 13.689 ( 0.000 22.475 0.000) 22.475 13.885 ( 0.000 4.159 0.000) 4.159 14.022 ( 0.000 -6.096 0.000) 6.096 14.371 ( 0.000 -4.897 0.000) 4.897 14.413 ( 0.000 7.959 0.000) 7.959 14.568 ( 0.000 3.020 0.000) 3.020 14.672 ( 0.000 2.202 0.000) 2.202 14.808 ( 0.000 -0.610 0.000) 0.610 15.401 ( 0.000 -4.798 0.000) 4.798 15.440 ( 0.000 -4.821 0.000) 4.821 15.894 ( 0.000 -16.742 0.000) 16.742 18.174 ( 0.000 9.854 0.000) 9.854 18.961 ( 0.000 -3.660 0.000) 3.660 19.434 ( 0.000 0.904 0.000) 0.904 19.727 ( 0.000 -3.313 0.000) 3.313 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 20.299 22.126 0.000) 30.027 1.039 ( 22.256 24.437 0.000) 33.053 1.848 ( 43.833 38.710 0.000) 58.479 2.550 ( 0.785 -1.559 0.000) 1.746 2.813 ( -3.088 -12.913 0.000) 13.277 3.189 ( -7.026 -11.788 0.000) 13.723 3.295 ( -5.312 -4.098 0.000) 6.709 3.398 ( -3.329 -1.076 0.000) 3.499 3.518 ( 3.053 6.946 0.000) 7.587 3.623 ( -2.288 -6.380 0.000) 6.778 3.776 ( -6.271 12.546 0.000) 14.026 4.512 ( -9.833 -8.699 0.000) 13.129 4.852 ( -17.103 35.309 0.000) 39.233 4.864 ( 4.767 2.493 0.000) 5.379 5.114 ( 12.354 -2.319 0.000) 12.570 5.617 ( -2.608 5.318 0.000) 5.923 6.187 ( 10.742 -11.608 0.000) 15.815 6.503 ( 12.042 1.773 0.000) 12.172 6.891 ( -0.681 22.698 0.000) 22.708 6.903 ( -5.806 -8.590 0.000) 10.368 7.338 ( 15.482 -9.869 0.000) 18.360 7.394 ( 6.732 3.833 0.000) 7.747 8.138 ( -2.563 -9.423 0.000) 9.766 8.442 ( -10.567 -1.337 0.000) 10.651 8.443 ( 4.766 1.415 0.000) 4.971 8.543 ( -4.409 0.762 0.000) 4.475 8.920 ( -1.528 3.385 0.000) 3.714 9.057 ( -6.975 4.181 0.000) 8.132 9.388 ( -1.881 7.408 0.000) 7.643 9.664 ( 4.887 -3.509 0.000) 6.016 9.850 ( 5.919 0.559 0.000) 5.946 10.124 ( 10.028 -4.244 0.000) 10.889 10.185 ( -0.790 3.515 0.000) 3.603 10.555 ( 1.117 -7.106 0.000) 7.193 10.784 ( 0.829 -8.253 0.000) 8.294 11.129 ( -0.221 -8.625 0.000) 8.628 11.211 ( 3.710 5.566 0.000) 6.689 11.213 ( -3.713 4.258 0.000) 5.649 11.911 ( -13.888 -2.057 0.000) 14.039 12.152 ( -5.371 -7.738 0.000) 9.419 12.551 ( -8.087 8.715 0.000) 11.889 12.898 ( -12.901 5.820 0.000) 14.153 13.104 ( -1.827 -8.185 0.000) 8.386 13.272 ( -6.509 -1.900 0.000) 6.781 13.450 ( 8.575 6.382 0.000) 10.690 13.879 ( 0.043 5.051 0.000) 5.051 13.938 ( 16.831 7.458 0.000) 18.410 14.041 ( 1.990 -5.032 0.000) 5.411 14.314 ( -2.174 2.766 0.000) 3.518 14.458 ( 4.909 8.005 0.000) 9.390 14.541 ( -0.945 2.983 0.000) 3.129 14.661 ( -1.184 2.311 0.000) 2.596 14.821 ( 1.114 -0.667 0.000) 1.298 15.309 ( -5.091 -4.310 0.000) 6.670 15.541 ( 5.818 -5.740 0.000) 8.172 15.827 ( -3.990 -13.393 0.000) 13.975 18.237 ( 6.800 8.774 0.000) 11.101 19.381 ( 21.165 -27.081 0.000) 34.371 19.441 ( 0.729 0.821 0.000) 1.098 19.719 ( -0.979 -3.178 0.000) 3.325 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 22.788 7.832 0.000) 24.097 1.554 ( 28.407 7.508 0.000) 29.383 2.570 ( 1.014 -3.721 0.000) 3.857 2.661 ( 26.659 12.642 0.000) 29.505 2.709 ( -0.618 -5.840 0.000) 5.873 3.039 ( -6.607 -8.430 0.000) 10.711 3.171 ( -7.329 -4.744 0.000) 8.730 3.309 ( -4.432 -0.064 0.000) 4.433 3.556 ( -4.015 3.643 0.000) 5.421 3.592 ( 3.633 3.939 0.000) 5.359 3.668 ( -2.906 4.538 0.000) 5.389 4.254 ( -16.115 -6.487 0.000) 17.372 4.767 ( 2.944 26.771 0.000) 26.933 4.978 ( 6.389 6.841 0.000) 9.360 5.428 ( 19.217 -2.857 0.000) 19.428 5.691 ( 10.396 2.396 0.000) 10.668 6.308 ( 5.522 -2.992 0.000) 6.280 6.767 ( -0.157 -4.667 0.000) 4.669 6.831 ( 12.274 -2.382 0.000) 12.503 6.857 ( -3.330 20.880 0.000) 21.144 7.564 ( 9.498 3.899 0.000) 10.267 7.573 ( 9.597 -9.433 0.000) 13.456 8.057 ( -5.350 -3.977 0.000) 6.667 8.220 ( -10.107 1.035 0.000) 10.160 8.427 ( -7.998 0.340 0.000) 8.005 8.548 ( 5.831 -1.547 0.000) 6.033 8.888 ( -1.538 -0.850 0.000) 1.757 8.974 ( -2.965 4.280 0.000) 5.206 9.360 ( -0.935 13.173 0.000) 13.206 9.796 ( 6.743 -2.807 0.000) 7.304 9.892 ( -2.284 -5.746 0.000) 6.183 10.197 ( 2.754 8.373 0.000) 8.814 10.245 ( -0.698 1.154 0.000) 1.349 10.584 ( 2.362 -8.885 0.000) 9.194 10.757 ( 0.487 -7.093 0.000) 7.109 11.065 ( -6.226 4.076 0.000) 7.442 11.164 ( -0.820 -8.256 0.000) 8.296 11.269 ( 0.759 1.103 0.000) 1.339 11.684 ( -6.982 7.069 0.000) 9.935 12.081 ( -0.575 -6.550 0.000) 6.575 12.430 ( -6.302 1.111 0.000) 6.400 12.635 ( -13.945 5.408 0.000) 14.957 13.001 ( -8.104 -5.636 0.000) 9.871 13.047 ( -15.670 -2.176 0.000) 15.820 13.624 ( 8.912 4.279 0.000) 9.886 13.891 ( 1.726 3.234 0.000) 3.666 14.087 ( 2.394 -2.668 0.000) 3.584 14.140 ( 2.265 0.075 0.000) 2.266 14.433 ( 14.503 7.003 0.000) 16.105 14.533 ( 0.369 2.669 0.000) 2.694 14.600 ( 9.141 6.492 0.000) 11.212 14.625 ( -2.525 2.297 0.000) 3.413 14.855 ( 2.754 -0.801 0.000) 2.868 15.223 ( -3.632 -3.961 0.000) 5.374 15.632 ( 3.027 -6.258 0.000) 6.952 15.748 ( -4.734 -10.753 0.000) 11.749 18.433 ( 13.280 6.500 0.000) 14.786 19.461 ( 1.350 0.370 0.000) 1.400 19.600 ( 4.213 -20.026 0.000) 20.465 19.678 ( -3.558 -2.726 0.000) 4.482 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 18.019 -2.908 0.000) 18.252 2.074 ( 24.134 -1.597 0.000) 24.187 2.497 ( -11.091 -14.620 0.000) 18.351 2.583 ( 0.384 -1.057 0.000) 1.124 2.911 ( -2.311 -0.926 0.000) 2.490 3.035 ( -6.361 -5.303 0.000) 8.282 3.068 ( 3.653 10.046 0.000) 10.690 3.242 ( -2.744 -1.044 0.000) 2.936 3.525 ( -0.271 4.182 0.000) 4.190 3.641 ( 1.348 -0.667 0.000) 1.504 3.694 ( 4.535 -3.911 0.000) 5.989 3.926 ( -16.582 -4.061 0.000) 17.072 4.882 ( 8.281 24.311 0.000) 25.682 5.084 ( 3.957 13.998 0.000) 14.547 5.819 ( 20.287 -4.034 0.000) 20.684 5.960 ( 15.127 3.683 0.000) 15.569 6.521 ( 17.614 0.643 0.000) 17.626 6.666 ( -4.898 -4.924 0.000) 6.946 6.745 ( -8.459 15.863 0.000) 17.978 7.148 ( 15.021 3.546 0.000) 15.433 7.652 ( -2.339 5.920 0.000) 6.365 7.733 ( 7.365 -7.627 0.000) 10.603 7.935 ( -8.229 -0.039 0.000) 8.229 8.173 ( -1.340 0.931 0.000) 1.632 8.234 ( -3.002 2.497 0.000) 3.905 8.657 ( 5.026 -4.023 0.000) 6.438 8.866 ( -0.721 -3.994 0.000) 4.059 8.915 ( -3.276 0.357 0.000) 3.296 9.351 ( -0.417 15.742 0.000) 15.747 9.657 ( -14.177 0.008 0.000) 14.177 10.039 ( 12.318 -6.216 0.000) 13.797 10.096 ( -10.773 1.652 0.000) 10.899 10.226 ( -1.993 3.553 0.000) 4.074 10.598 ( -2.010 -8.484 0.000) 8.719 10.871 ( 8.905 -1.205 0.000) 8.986 10.964 ( -2.558 10.417 0.000) 10.727 11.159 ( 0.109 -11.261 0.000) 11.261 11.224 ( -4.115 -2.276 0.000) 4.703 11.680 ( 5.594 8.752 0.000) 10.387 12.145 ( 6.557 -6.396 0.000) 9.160 12.308 ( -5.367 -1.841 0.000) 5.674 12.366 ( -13.667 4.899 0.000) 14.518 12.716 ( -17.342 -1.815 0.000) 17.437 12.807 ( -11.537 -5.181 0.000) 12.647 13.787 ( 7.804 3.247 0.000) 8.453 13.945 ( 3.429 1.983 0.000) 3.961 14.124 ( 1.265 -1.172 0.000) 1.724 14.134 ( -1.569 0.077 0.000) 1.571 14.509 ( -0.794 1.103 0.000) 1.360 14.566 ( -3.185 1.806 0.000) 3.662 14.721 ( 9.185 2.519 0.000) 9.524 14.769 ( 6.924 3.311 0.000) 7.675 14.977 ( 11.822 0.805 0.000) 11.849 15.189 ( 0.885 -2.805 0.000) 2.941 15.635 ( -7.002 -6.903 0.000) 9.833 15.641 ( -2.355 -5.509 0.000) 5.991 18.733 ( 17.113 3.928 0.000) 17.558 19.493 ( 1.910 -0.908 0.000) 2.115 19.569 ( -8.045 -1.847 0.000) 8.254 19.620 ( -1.073 -12.426 0.000) 12.472 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 11.163 -10.399 0.000) 15.256 2.261 ( -8.450 -10.691 0.000) 13.627 2.491 ( 12.994 -7.674 0.000) 15.090 2.596 ( 0.501 2.051 0.000) 2.111 2.861 ( -1.811 4.894 0.000) 5.218 2.916 ( -6.238 -3.484 0.000) 7.145 3.110 ( 3.318 2.183 0.000) 3.971 3.186 ( -3.560 -1.410 0.000) 3.829 3.525 ( 1.286 2.577 0.000) 2.880 3.608 ( -6.494 0.765 0.000) 6.539 3.714 ( -1.864 -8.267 0.000) 8.475 3.731 ( -0.986 -10.095 0.000) 10.143 5.039 ( 6.660 25.291 0.000) 26.153 5.115 ( -1.048 21.534 0.000) 21.559 6.175 ( 15.438 -6.257 0.000) 16.658 6.228 ( 11.681 1.108 0.000) 11.734 6.496 ( -8.563 -1.408 0.000) 8.678 6.542 ( -11.423 10.384 0.000) 15.438 7.056 ( 31.560 3.503 0.000) 31.754 7.384 ( 9.674 6.777 0.000) 11.812 7.542 ( -7.268 7.463 0.000) 10.417 7.637 ( -25.076 3.179 0.000) 25.277 7.861 ( 5.784 -1.955 0.000) 6.105 7.972 ( -7.125 1.729 0.000) 7.332 8.490 ( 15.729 -1.185 0.000) 15.774 8.695 ( -3.508 -5.890 0.000) 6.856 8.859 ( -0.063 -4.344 0.000) 4.345 8.864 ( -1.147 -2.153 0.000) 2.439 9.326 ( -1.222 11.910 0.000) 11.973 9.402 ( -9.963 4.816 0.000) 11.066 9.978 ( 0.830 2.567 0.000) 2.697 10.095 ( -8.534 2.461 0.000) 8.882 10.295 ( 12.231 -9.449 0.000) 15.456 10.499 ( -8.178 -9.603 0.000) 12.613 10.978 ( 2.708 13.856 0.000) 14.118 10.998 ( 2.568 10.162 0.000) 10.482 11.161 ( -0.112 -11.153 0.000) 11.154 11.164 ( -1.380 -8.415 0.000) 8.528 11.848 ( 10.956 5.957 0.000) 12.471 12.085 ( -13.107 3.593 0.000) 13.591 12.271 ( 2.596 -2.604 0.000) 3.677 12.338 ( 10.797 -5.375 0.000) 12.061 12.420 ( -12.267 -1.659 0.000) 12.378 12.570 ( -12.597 -5.241 0.000) 13.644 13.921 ( 5.819 2.698 0.000) 6.415 13.990 ( -0.308 2.010 0.000) 2.033 14.108 ( -0.024 -0.154 0.000) 0.156 14.129 ( -0.871 -0.702 0.000) 1.118 14.497 ( -0.152 1.415 0.000) 1.423 14.514 ( -1.962 1.631 0.000) 2.551 14.814 ( 2.410 -1.026 0.000) 2.619 14.837 ( 0.395 -0.414 0.000) 0.573 15.247 ( 12.296 -0.323 0.000) 12.300 15.269 ( 6.296 -1.499 0.000) 6.472 15.492 ( -6.406 -3.356 0.000) 7.232 15.538 ( -7.787 -3.410 0.000) 8.501 19.068 ( 16.905 1.529 0.000) 16.974 19.363 ( -13.212 -0.434 0.000) 13.219 19.535 ( 2.392 -3.382 0.000) 4.143 19.582 ( -2.422 -7.166 0.000) 7.564 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.000 30.839 0.000) 30.839 1.596 ( 0.000 34.663 0.000) 34.663 2.214 ( 0.000 25.468 0.000) 25.468 2.425 ( 0.000 -13.139 0.000) 13.139 2.632 ( 0.000 -6.459 0.000) 6.459 2.903 ( 0.000 -20.826 0.000) 20.826 3.308 ( 0.000 -0.245 0.000) 0.245 3.378 ( 0.000 -0.873 0.000) 0.873 3.593 ( 0.000 6.058 0.000) 6.058 3.729 ( 0.000 13.474 0.000) 13.474 3.992 ( 0.000 1.331 0.000) 1.331 4.356 ( 0.000 -14.092 0.000) 14.092 4.830 ( 0.000 0.787 0.000) 0.787 4.929 ( 0.000 -3.256 0.000) 3.256 5.528 ( 0.000 6.848 0.000) 6.848 5.792 ( 0.000 -5.203 0.000) 5.203 6.042 ( 0.000 18.063 0.000) 18.063 6.432 ( 0.000 5.439 0.000) 5.439 6.803 ( 0.000 -11.546 0.000) 11.546 6.883 ( 0.000 -10.548 0.000) 10.548 7.413 ( 0.000 11.688 0.000) 11.688 7.548 ( 0.000 28.843 0.000) 28.843 7.887 ( 0.000 -13.366 0.000) 13.366 8.458 ( 0.000 -7.622 0.000) 7.622 8.544 ( 0.000 9.259 0.000) 9.259 8.637 ( 0.000 3.978 0.000) 3.978 8.966 ( 0.000 -4.985 0.000) 4.985 8.995 ( 0.000 -10.731 0.000) 10.731 9.480 ( 0.000 2.537 0.000) 2.537 9.557 ( 0.000 -0.353 0.000) 0.353 9.739 ( 0.000 -10.228 0.000) 10.228 9.762 ( 0.000 -4.688 0.000) 4.688 10.315 ( 0.000 10.330 0.000) 10.330 10.596 ( 0.000 3.337 0.000) 3.337 10.696 ( 0.000 -1.065 0.000) 1.065 10.868 ( 0.000 -13.977 0.000) 13.977 11.362 ( 0.000 9.690 0.000) 9.690 11.424 ( 0.000 10.798 0.000) 10.798 11.824 ( 0.000 -12.204 0.000) 12.204 11.982 ( 0.000 -13.078 0.000) 13.078 12.777 ( 0.000 0.784 0.000) 0.784 12.906 ( 0.000 -5.455 0.000) 5.455 13.181 ( 0.000 4.745 0.000) 4.745 13.301 ( 0.000 -1.107 0.000) 1.107 13.534 ( 0.000 10.392 0.000) 10.392 13.893 ( 0.000 -6.299 0.000) 6.299 13.988 ( 0.000 6.192 0.000) 6.192 14.213 ( 0.000 25.210 0.000) 25.210 14.255 ( 0.000 -6.010 0.000) 6.010 14.589 ( 0.000 8.293 0.000) 8.293 14.623 ( 0.000 1.989 0.000) 1.989 14.728 ( 0.000 2.495 0.000) 2.495 14.798 ( 0.000 0.214 0.000) 0.214 15.276 ( 0.000 -6.023 0.000) 6.023 15.311 ( 0.000 -6.652 0.000) 6.652 15.445 ( 0.000 -24.516 0.000) 24.516 18.418 ( 0.000 12.224 0.000) 12.224 18.847 ( 0.000 -7.238 0.000) 7.238 19.468 ( 0.000 2.433 0.000) 2.433 19.637 ( 0.000 -4.871 0.000) 4.871 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 6.606 26.000 0.000) 26.826 1.627 ( 5.047 28.881 0.000) 29.318 2.408 ( -1.393 -13.352 0.000) 13.425 2.454 ( 14.550 6.424 0.000) 15.905 2.607 ( 2.685 -0.821 0.000) 2.807 2.895 ( -1.266 -14.603 0.000) 14.658 3.236 ( -5.910 0.151 0.000) 5.911 3.358 ( -3.073 -2.527 0.000) 3.978 3.601 ( 1.204 8.784 0.000) 8.867 3.736 ( 0.596 12.564 0.000) 12.578 3.972 ( -2.598 3.890 0.000) 4.678 4.288 ( -6.921 -12.178 0.000) 14.007 4.911 ( 8.041 2.237 0.000) 8.346 5.048 ( 11.728 -3.706 0.000) 12.299 5.403 ( -5.187 17.124 0.000) 17.892 5.742 ( -9.782 2.431 0.000) 10.079 6.062 ( 11.147 4.246 0.000) 11.928 6.580 ( 9.682 5.537 0.000) 11.154 6.684 ( -5.933 -11.977 0.000) 13.366 7.088 ( 12.590 -13.872 0.000) 18.733 7.450 ( 1.872 18.388 0.000) 18.483 7.557 ( 2.197 20.323 0.000) 20.442 7.911 ( 2.409 -10.850 0.000) 11.115 8.384 ( -7.306 -5.534 0.000) 9.165 8.555 ( 1.491 8.029 0.000) 8.166 8.581 ( -5.194 3.541 0.000) 6.286 8.914 ( -4.663 -5.716 0.000) 7.376 8.961 ( -2.346 -8.956 0.000) 9.258 9.571 ( 8.360 8.228 0.000) 11.730 9.605 ( 4.750 -0.718 0.000) 4.804 9.788 ( 1.705 -5.675 0.000) 5.926 9.948 ( 17.501 -10.486 0.000) 20.402 10.341 ( 2.314 10.381 0.000) 10.636 10.515 ( -6.680 2.296 0.000) 7.063 10.672 ( -3.670 -3.982 0.000) 5.415 10.873 ( 0.224 -13.963 0.000) 13.965 11.374 ( 0.975 8.854 0.000) 8.908 11.380 ( -4.252 10.932 0.000) 11.730 11.772 ( -4.543 -9.097 0.000) 10.168 11.935 ( -3.929 -12.476 0.000) 13.080 12.677 ( -7.991 4.395 0.000) 9.120 12.921 ( -0.843 -8.134 0.000) 8.177 13.034 ( -12.279 6.305 0.000) 13.803 13.222 ( -8.472 -2.917 0.000) 8.960 13.616 ( 6.381 8.835 0.000) 10.899 13.932 ( 3.762 -5.480 0.000) 6.647 13.981 ( -0.633 5.516 0.000) 5.553 14.163 ( -2.075 3.003 0.000) 3.650 14.392 ( 10.285 12.483 0.000) 16.174 14.620 ( -0.068 3.612 0.000) 3.612 14.633 ( 4.270 7.831 0.000) 8.920 14.728 ( -0.212 3.560 0.000) 3.566 14.806 ( 0.933 0.097 0.000) 0.938 15.206 ( -4.160 -4.189 0.000) 5.904 15.379 ( 4.115 -9.009 0.000) 9.905 15.441 ( 0.027 -21.859 0.000) 21.859 18.464 ( 5.066 11.963 0.000) 12.991 18.982 ( 11.185 -13.905 0.000) 17.845 19.472 ( 0.413 2.272 0.000) 2.309 19.633 ( -0.568 -4.655 0.000) 4.690 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 9.060 15.488 0.000) 17.943 1.805 ( 12.549 15.113 0.000) 19.644 2.388 ( -0.332 -14.199 0.000) 14.203 2.417 ( -7.843 -12.261 0.000) 14.555 2.857 ( -0.698 -7.521 0.000) 7.554 2.901 ( 12.870 -2.710 0.000) 13.152 3.111 ( -6.621 0.449 0.000) 6.636 3.271 ( -5.025 -3.501 0.000) 6.125 3.643 ( 2.000 13.309 0.000) 13.458 3.734 ( -1.336 8.775 0.000) 8.876 3.883 ( -5.848 7.374 0.000) 9.411 4.102 ( -11.838 -7.792 0.000) 14.172 5.117 ( 12.461 6.050 0.000) 13.852 5.347 ( 18.118 -4.707 0.000) 18.719 5.371 ( 1.458 27.069 0.000) 27.109 5.756 ( 12.270 3.245 0.000) 12.691 6.283 ( 11.362 0.597 0.000) 11.377 6.594 ( -3.247 -10.747 0.000) 11.227 6.814 ( 15.388 2.002 0.000) 15.518 7.301 ( 9.878 -15.649 0.000) 18.506 7.388 ( -8.117 24.837 0.000) 26.130 7.673 ( 7.406 6.036 0.000) 9.554 7.977 ( 4.034 -1.807 0.000) 4.420 8.225 ( -6.672 -1.348 0.000) 6.807 8.453 ( -8.113 2.824 0.000) 8.590 8.602 ( 2.998 5.688 0.000) 6.430 8.813 ( -5.387 -7.427 0.000) 9.175 8.918 ( -2.326 -6.652 0.000) 7.047 9.728 ( 7.627 -2.722 0.000) 8.098 9.729 ( 6.023 18.486 0.000) 19.443 9.787 ( -2.633 -4.331 0.000) 5.069 10.265 ( 7.930 -1.065 0.000) 8.001 10.375 ( 0.144 8.627 0.000) 8.629 10.396 ( -0.515 -6.941 0.000) 6.960 10.569 ( -4.792 -9.200 0.000) 10.373 10.867 ( -0.840 -14.678 0.000) 14.702 11.286 ( -4.303 12.748 0.000) 13.455 11.377 ( -1.317 7.534 0.000) 7.649 11.702 ( -1.097 -4.521 0.000) 4.652 11.883 ( -0.249 -12.092 0.000) 12.095 12.503 ( -9.714 5.762 0.000) 11.294 12.769 ( -14.509 6.600 0.000) 15.940 12.843 ( -7.083 -8.766 0.000) 11.270 12.985 ( -15.278 -3.639 0.000) 15.705 13.748 ( 7.021 7.068 0.000) 9.963 13.975 ( 0.352 4.563 0.000) 4.576 14.015 ( 4.248 -4.307 0.000) 6.050 14.138 ( -0.769 -1.488 0.000) 1.675 14.555 ( 2.902 5.341 0.000) 6.079 14.662 ( 5.860 6.265 0.000) 8.579 14.684 ( -1.606 3.833 0.000) 4.156 14.756 ( 4.583 5.800 0.000) 7.392 14.854 ( 5.512 3.310 0.000) 6.430 15.142 ( -1.851 -1.747 0.000) 2.545 15.450 ( 0.532 -16.654 0.000) 16.662 15.452 ( 3.072 -10.332 0.000) 10.779 18.615 ( 10.403 10.404 0.000) 14.713 19.185 ( 8.885 -17.735 0.000) 19.836 19.480 ( 0.210 1.518 0.000) 1.533 19.605 ( -2.579 -3.895 0.000) 4.672 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 7.704 5.496 0.000) 9.463 2.070 ( 13.852 1.275 0.000) 13.911 2.251 ( -8.785 -8.185 0.000) 12.007 2.400 ( 1.282 -15.728 0.000) 15.780 2.858 ( 1.752 -2.639 0.000) 3.168 2.998 ( -4.506 2.342 0.000) 5.078 3.042 ( 2.569 -10.903 0.000) 11.201 3.187 ( -3.643 -4.190 0.000) 5.552 3.613 ( -4.350 9.436 0.000) 10.391 3.678 ( -4.250 4.158 0.000) 5.946 3.781 ( -5.279 4.574 0.000) 6.985 3.858 ( -12.380 -2.915 0.000) 12.718 5.359 ( 11.754 11.198 0.000) 16.234 5.477 ( 7.967 28.601 0.000) 29.689 5.708 ( 18.340 -6.284 0.000) 19.387 6.048 ( 13.188 2.899 0.000) 13.503 6.549 ( 0.774 -1.800 0.000) 1.959 6.594 ( 21.414 1.864 0.000) 21.495 7.145 ( 16.865 -1.921 0.000) 16.974 7.161 ( -14.665 20.753 0.000) 25.411 7.513 ( 13.573 -13.044 0.000) 18.825 7.700 ( -6.385 -3.874 0.000) 7.468 8.046 ( 2.083 12.467 0.000) 12.640 8.220 ( -1.261 3.374 0.000) 3.602 8.277 ( -2.651 1.353 0.000) 2.976 8.649 ( 1.293 2.904 0.000) 3.179 8.723 ( -3.137 -10.099 0.000) 10.575 8.860 ( -3.681 -4.546 0.000) 5.849 9.676 ( -7.852 2.074 0.000) 8.122 9.757 ( -3.547 20.844 0.000) 21.143 9.892 ( 8.827 -7.361 0.000) 11.494 10.147 ( -9.131 3.017 0.000) 9.616 10.321 ( -5.358 6.320 0.000) 8.285 10.419 ( -3.734 -7.808 0.000) 8.654 10.681 ( 11.927 -14.617 0.000) 18.866 10.848 ( -0.764 -16.754 0.000) 16.772 11.259 ( 1.897 16.610 0.000) 16.718 11.334 ( -1.765 10.386 0.000) 10.535 11.756 ( 6.206 -3.253 0.000) 7.007 11.942 ( 5.955 -12.796 0.000) 14.113 12.321 ( -8.328 4.527 0.000) 9.479 12.487 ( -14.283 5.998 0.000) 15.491 12.663 ( -11.026 -8.224 0.000) 13.755 12.669 ( -16.472 -2.677 0.000) 16.688 13.880 ( 6.489 5.344 0.000) 8.406 14.000 ( 2.127 3.210 0.000) 3.851 14.081 ( 2.420 -3.009 0.000) 3.862 14.123 ( -0.957 -1.447 0.000) 1.735 14.560 ( -0.615 3.874 0.000) 3.923 14.629 ( -3.318 4.123 0.000) 5.292 14.738 ( 1.812 -1.771 0.000) 2.534 14.814 ( 0.531 -0.797 0.000) 0.957 15.045 ( 12.253 6.263 0.000) 13.761 15.162 ( 3.967 2.129 0.000) 4.502 15.445 ( -1.254 -10.419 0.000) 10.494 15.484 ( -0.049 -8.956 0.000) 8.957 18.853 ( 13.670 7.435 0.000) 15.561 19.320 ( 5.328 -14.511 0.000) 15.459 19.476 ( -0.679 -0.431 0.000) 0.804 19.522 ( -6.284 -2.328 0.000) 6.702 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 6.773 -0.602 0.000) 6.800 2.085 ( -7.987 -4.285 0.000) 9.064 2.306 ( 9.315 -9.584 0.000) 13.365 2.409 ( -1.509 -16.087 0.000) 16.157 2.912 ( 2.845 0.743 0.000) 2.940 2.945 ( -1.310 3.810 0.000) 4.029 3.062 ( 1.092 -6.997 0.000) 7.082 3.117 ( -3.870 -4.691 0.000) 6.081 3.556 ( -0.325 3.987 0.000) 4.001 3.596 ( -3.509 1.303 0.000) 3.743 3.671 ( -5.585 0.394 0.000) 5.599 3.674 ( -4.568 0.981 0.000) 4.672 5.541 ( 6.433 17.060 0.000) 18.232 5.587 ( 1.960 23.567 0.000) 23.648 6.021 ( 13.160 -8.197 0.000) 15.505 6.175 ( -1.247 -6.475 0.000) 6.594 6.607 ( 8.435 12.018 0.000) 14.683 6.858 ( -15.691 18.333 0.000) 24.131 7.123 ( 27.435 -1.210 0.000) 27.461 7.440 ( 15.735 2.807 0.000) 15.984 7.502 ( -13.139 -8.798 0.000) 15.813 7.829 ( 17.090 -3.768 0.000) 17.500 7.833 ( -21.784 11.949 0.000) 24.846 8.086 ( -8.139 6.883 0.000) 10.659 8.455 ( 10.827 -1.157 0.000) 10.889 8.619 ( -5.239 -0.122 0.000) 5.240 8.723 ( 2.980 -8.239 0.000) 8.762 8.789 ( -3.346 -4.471 0.000) 5.584 9.555 ( -2.404 9.380 0.000) 9.683 9.621 ( -8.005 14.856 0.000) 16.876 10.029 ( 3.204 -11.172 0.000) 11.622 10.040 ( -1.483 1.000 0.000) 1.789 10.237 ( -0.178 7.301 0.000) 7.303 10.323 ( -6.037 -3.911 0.000) 7.193 10.831 ( 3.184 -16.904 0.000) 17.201 10.846 ( 0.298 -17.583 0.000) 17.585 11.324 ( 3.240 18.313 0.000) 18.597 11.339 ( 1.379 16.317 0.000) 16.375 11.916 ( 9.606 -3.296 0.000) 10.156 12.049 ( 0.703 -11.576 0.000) 11.597 12.222 ( -0.833 0.593 0.000) 1.022 12.262 ( -5.847 2.950 0.000) 6.548 12.397 ( -9.315 -1.320 0.000) 9.408 12.444 ( -10.485 -6.159 0.000) 12.160 13.989 ( 4.569 3.512 0.000) 5.763 14.036 ( 0.467 2.185 0.000) 2.235 14.101 ( -0.752 -0.636 0.000) 0.985 14.104 ( -0.014 -1.660 0.000) 1.660 14.553 ( 0.118 4.028 0.000) 4.030 14.573 ( -2.097 4.164 0.000) 4.662 14.765 ( 1.352 -3.856 0.000) 4.086 14.795 ( -1.693 -3.930 0.000) 4.279 15.255 ( 7.905 1.468 0.000) 8.040 15.261 ( 5.018 1.420 0.000) 5.215 15.404 ( -2.159 -4.630 0.000) 5.109 15.443 ( -4.048 -5.335 0.000) 6.697 19.121 ( 13.599 3.718 0.000) 14.098 19.359 ( -10.579 0.250 0.000) 10.581 19.402 ( 3.288 -9.081 0.000) 9.658 19.451 ( -1.902 -4.022 0.000) 4.449 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.000 -25.052 0.000) 25.052 2.009 ( 0.000 25.052 0.000) 25.052 2.240 ( 0.000 -23.354 0.000) 23.354 2.240 ( 0.000 23.354 0.000) 23.354 2.583 ( 0.000 -2.760 0.000) 2.760 2.583 ( 0.000 2.760 0.000) 2.760 3.344 ( 0.000 -2.304 0.000) 2.304 3.344 ( 0.000 2.304 0.000) 2.304 3.858 ( 0.000 -13.339 0.000) 13.339 3.858 ( 0.000 13.339 0.000) 13.339 4.040 ( 0.000 -15.498 0.000) 15.498 4.040 ( 0.000 15.498 0.000) 15.498 4.864 ( 0.000 -2.558 0.000) 2.558 4.864 ( 0.000 2.558 0.000) 2.558 5.668 ( 0.000 -6.428 0.000) 6.428 5.668 ( 0.000 6.428 0.000) 6.428 6.411 ( 0.000 -14.335 0.000) 14.335 6.411 ( 0.000 14.335 0.000) 14.335 6.675 ( 0.000 -6.666 0.000) 6.666 6.675 ( 0.000 6.666 0.000) 6.666 7.625 ( 0.000 -11.179 0.000) 11.179 7.625 ( 0.000 11.179 0.000) 11.179 8.157 ( 0.000 -23.019 0.000) 23.019 8.157 ( 0.000 23.019 0.000) 23.019 8.762 ( 0.000 -11.100 0.000) 11.100 8.762 ( 0.000 11.100 0.000) 11.100 8.773 ( 0.000 -9.430 0.000) 9.430 8.773 ( 0.000 9.430 0.000) 9.430 9.564 ( 0.000 -6.015 0.000) 6.015 9.564 ( 0.000 6.015 0.000) 6.015 9.632 ( 0.000 -6.290 0.000) 6.290 9.632 ( 0.000 6.290 0.000) 6.290 10.574 ( 0.000 -13.535 0.000) 13.535 10.574 ( 0.000 13.535 0.000) 13.535 10.660 ( 0.000 -2.465 0.000) 2.465 10.660 ( 0.000 2.465 0.000) 2.465 11.579 ( 0.000 -10.994 0.000) 10.994 11.579 ( 0.000 10.994 0.000) 10.994 11.691 ( 0.000 -13.977 0.000) 13.977 11.691 ( 0.000 13.977 0.000) 13.977 12.816 ( 0.000 -3.049 0.000) 3.049 12.816 ( 0.000 3.049 0.000) 3.049 13.260 ( 0.000 -2.782 0.000) 2.782 13.260 ( 0.000 2.782 0.000) 2.782 13.740 ( 0.000 -8.590 0.000) 8.590 13.740 ( 0.000 8.590 0.000) 8.590 14.123 ( 0.000 -6.499 0.000) 6.499 14.123 ( 0.000 6.499 0.000) 6.499 14.612 ( 0.000 -6.600 0.000) 6.600 14.612 ( 0.000 6.600 0.000) 6.600 14.728 ( 0.000 -3.689 0.000) 3.689 14.728 ( 0.000 3.689 0.000) 3.689 14.942 ( 0.000 -19.125 0.000) 19.125 14.942 ( 0.000 19.125 0.000) 19.125 15.212 ( 0.000 -1.260 0.000) 1.260 15.212 ( 0.000 1.260 0.000) 1.260 18.660 ( 0.000 -10.429 0.000) 10.429 18.660 ( 0.000 10.429 0.000) 10.429 19.538 ( 0.000 -4.216 0.000) 4.216 19.538 ( 0.000 4.216 0.000) 4.216 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 0.155 -23.183 0.000) 23.183 2.010 ( 0.155 23.183 0.000) 23.183 2.184 ( -3.725 -22.555 0.000) 22.860 2.184 ( -3.725 22.555 0.000) 22.860 2.687 ( 7.481 -4.700 0.000) 8.835 2.687 ( 7.481 4.700 0.000) 8.835 3.290 ( -5.053 -3.743 0.000) 6.289 3.290 ( -5.053 3.743 0.000) 6.289 3.887 ( 2.394 -11.932 0.000) 12.170 3.887 ( 2.394 11.932 0.000) 12.170 4.015 ( -2.798 -13.483 0.000) 13.770 4.015 ( -2.798 13.483 0.000) 13.770 4.970 ( 10.479 -3.448 0.000) 11.031 4.970 ( 10.479 3.448 0.000) 11.031 5.648 ( 0.169 -8.285 0.000) 8.287 5.648 ( 0.169 8.285 0.000) 8.287 6.354 ( -2.815 -17.333 0.000) 17.560 6.354 ( -2.815 17.333 0.000) 17.560 6.792 ( 8.903 -12.826 0.000) 15.613 6.792 ( 8.903 12.826 0.000) 15.613 7.668 ( 3.714 -9.700 0.000) 10.387 7.668 ( 3.714 9.700 0.000) 10.387 8.129 ( -2.604 -20.691 0.000) 20.854 8.129 ( -2.604 20.691 0.000) 20.854 8.716 ( -5.331 -9.665 0.000) 11.038 8.716 ( -5.331 9.665 0.000) 11.038 8.752 ( -0.395 -10.214 0.000) 10.222 8.752 ( -0.395 10.214 0.000) 10.222 9.660 ( 2.630 -5.381 0.000) 5.989 9.660 ( 2.630 5.381 0.000) 5.989 9.743 ( 16.048 -8.707 0.000) 18.258 9.743 ( 16.048 8.707 0.000) 18.258 10.587 ( 0.853 -12.791 0.000) 12.819 10.587 ( 0.853 12.791 0.000) 12.819 10.589 ( -7.018 -4.000 0.000) 8.077 10.589 ( -7.018 4.000 0.000) 8.077 11.570 ( -0.897 -9.699 0.000) 9.740 11.570 ( -0.897 9.699 0.000) 9.740 11.650 ( -3.657 -13.998 0.000) 14.468 11.650 ( -3.657 13.998 0.000) 14.468 12.777 ( -4.115 -5.583 0.000) 6.935 12.777 ( -4.115 5.583 0.000) 6.935 13.146 ( -10.558 -4.382 0.000) 11.431 13.146 ( -10.558 4.382 0.000) 11.431 13.796 ( 4.825 -7.688 0.000) 9.076 13.796 ( 4.825 7.688 0.000) 9.076 14.100 ( -1.857 -5.374 0.000) 5.686 14.100 ( -1.857 5.374 0.000) 5.686 14.637 ( 1.879 -4.232 0.000) 4.630 14.637 ( 1.879 4.232 0.000) 4.630 14.752 ( 1.926 -2.637 0.000) 3.266 14.752 ( 1.926 2.637 0.000) 3.266 14.979 ( 4.008 -19.243 0.000) 19.656 14.979 ( 4.008 19.243 0.000) 19.656 15.209 ( 0.065 -5.390 0.000) 5.390 15.209 ( 0.065 5.390 0.000) 5.390 18.718 ( 5.709 -12.039 0.000) 13.325 18.718 ( 5.709 12.039 0.000) 13.325 19.539 ( -0.053 -3.999 0.000) 4.000 19.539 ( -0.053 3.999 0.000) 4.000 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 0.802 -19.212 0.000) 19.228 2.018 ( 0.802 19.212 0.000) 19.228 2.135 ( -1.195 -15.149 0.000) 15.196 2.135 ( -1.195 15.149 0.000) 15.196 2.797 ( 3.820 -2.679 0.000) 4.666 2.797 ( 3.820 2.679 0.000) 4.666 3.178 ( -5.820 -4.773 0.000) 7.527 3.178 ( -5.820 4.773 0.000) 7.527 3.896 ( -2.817 -6.700 0.000) 7.269 3.896 ( -2.817 6.700 0.000) 7.269 3.926 ( -6.380 -8.967 0.000) 11.005 3.926 ( -6.380 8.967 0.000) 11.005 5.237 ( 16.221 -5.532 0.000) 17.139 5.237 ( 16.221 5.532 0.000) 17.139 5.755 ( 10.746 -7.021 0.000) 12.836 5.755 ( 10.746 7.021 0.000) 12.836 6.365 ( 4.947 -8.742 0.000) 10.044 6.365 ( 4.947 8.742 0.000) 10.044 6.975 ( 10.398 -13.261 0.000) 16.851 6.975 ( 10.398 13.261 0.000) 16.851 7.698 ( -3.406 -5.893 0.000) 6.806 7.698 ( -3.406 5.893 0.000) 6.806 8.112 ( 3.324 -10.409 0.000) 10.927 8.112 ( 3.324 10.409 0.000) 10.927 8.591 ( -7.392 -10.841 0.000) 13.121 8.591 ( -7.392 10.841 0.000) 13.121 8.754 ( 0.356 -8.174 0.000) 8.182 8.754 ( 0.356 8.174 0.000) 8.182 9.717 ( 2.748 -1.818 0.000) 3.295 9.717 ( 2.748 1.818 0.000) 3.295 10.078 ( 16.163 -14.146 0.000) 21.479 10.078 ( 16.163 14.146 0.000) 21.479 10.409 ( -10.733 -5.429 0.000) 12.028 10.409 ( -10.733 5.429 0.000) 12.028 10.582 ( -1.896 -11.669 0.000) 11.822 10.582 ( -1.896 11.669 0.000) 11.822 11.552 ( -0.452 -8.562 0.000) 8.574 11.552 ( -0.452 8.562 0.000) 8.574 11.590 ( -1.340 -15.098 0.000) 15.157 11.590 ( -1.340 15.098 0.000) 15.157 12.657 ( -8.136 -8.492 0.000) 11.760 12.657 ( -8.136 8.492 0.000) 11.760 12.894 ( -14.841 -5.107 0.000) 15.695 12.894 ( -14.841 5.107 0.000) 15.695 13.899 ( 5.443 -6.731 0.000) 8.656 13.899 ( 5.443 6.731 0.000) 8.656 14.072 ( -0.711 -4.321 0.000) 4.380 14.072 ( -0.711 4.321 0.000) 4.380 14.661 ( 0.407 -4.060 0.000) 4.080 14.661 ( 0.407 4.060 0.000) 4.080 14.770 ( -0.577 -3.511 0.000) 3.558 14.770 ( -0.577 3.511 0.000) 3.558 15.091 ( 7.021 -16.296 0.000) 17.744 15.091 ( 7.021 16.296 0.000) 17.744 15.231 ( 2.380 -9.346 0.000) 9.644 15.231 ( 2.380 9.346 0.000) 9.644 18.863 ( 8.903 -13.279 0.000) 15.987 18.863 ( 8.903 13.279 0.000) 15.988 19.529 ( -1.223 -3.140 0.000) 3.370 19.529 ( -1.223 3.140 0.000) 3.370 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 1.549 -15.852 0.000) 15.927 2.041 ( 1.549 15.852 0.000) 15.927 2.129 ( 0.016 -4.243 0.000) 4.243 2.129 ( 0.016 4.243 0.000) 4.243 2.860 ( 3.408 -4.150 0.000) 5.370 2.860 ( 3.408 4.150 0.000) 5.370 3.085 ( -3.655 -5.037 0.000) 6.223 3.085 ( -3.655 5.037 0.000) 6.223 3.780 ( -8.092 -4.688 0.000) 9.352 3.780 ( -8.092 4.688 0.000) 9.352 3.782 ( -7.722 -4.657 0.000) 9.017 3.782 ( -7.722 4.657 0.000) 9.017 5.558 ( 16.013 -8.090 0.000) 17.941 5.558 ( 16.013 8.090 0.000) 17.941 5.949 ( 6.242 -14.220 0.000) 15.529 5.949 ( 6.242 14.220 0.000) 15.529 6.578 ( 16.539 -4.375 0.000) 17.108 6.578 ( 16.539 4.375 0.000) 17.108 7.229 ( 16.996 -11.332 0.000) 20.427 7.229 ( 16.996 11.332 0.000) 20.427 7.520 ( -13.245 -12.776 0.000) 18.402 7.520 ( -13.245 12.776 0.000) 18.402 8.251 ( 6.367 -2.781 0.000) 6.947 8.251 ( 6.367 2.781 0.000) 6.947 8.436 ( -6.536 -16.097 0.000) 17.373 8.436 ( -6.536 16.097 0.000) 17.373 8.748 ( -1.435 -5.669 0.000) 5.848 8.748 ( -1.435 5.669 0.000) 5.848 9.753 ( 0.960 -5.359 0.000) 5.444 9.753 ( 0.960 5.359 0.000) 5.444 10.130 ( -11.647 -10.435 0.000) 15.637 10.130 ( -11.647 10.435 0.000) 15.637 10.378 ( 8.080 -9.202 0.000) 12.245 10.378 ( 8.080 9.202 0.000) 12.245 10.521 ( -3.380 -13.046 0.000) 13.477 10.521 ( -3.380 13.046 0.000) 13.477 11.579 ( 3.811 -11.591 0.000) 12.201 11.579 ( 3.811 11.591 0.000) 12.201 11.622 ( 4.411 -17.030 0.000) 17.592 11.622 ( 4.411 17.030 0.000) 17.592 12.477 ( -9.841 -8.967 0.000) 13.314 12.477 ( -9.841 8.967 0.000) 13.314 12.598 ( -15.167 -4.273 0.000) 15.758 12.598 ( -15.167 4.273 0.000) 15.758 13.995 ( 4.278 -5.116 0.000) 6.669 13.995 ( 4.278 5.116 0.000) 6.669 14.071 ( 0.418 -3.258 0.000) 3.285 14.071 ( 0.418 3.258 0.000) 3.285 14.659 ( -0.274 -4.942 0.000) 4.950 14.659 ( -0.274 4.942 0.000) 4.950 14.733 ( -2.740 -5.413 0.000) 6.066 14.733 ( -2.740 5.413 0.000) 6.066 15.224 ( 6.117 -10.086 0.000) 11.796 15.224 ( 6.117 10.086 0.000) 11.796 15.290 ( 3.112 -8.763 0.000) 9.299 15.290 ( 3.112 8.763 0.000) 9.299 19.047 ( 9.807 -11.159 0.000) 14.856 19.047 ( 9.807 11.159 0.000) 14.856 19.483 ( -3.683 -1.174 0.000) 3.866 19.483 ( -3.683 1.174 0.000) 3.866 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 2.179 -12.786 0.000) 12.970 2.078 ( 2.179 12.786 0.000) 12.970 2.116 ( -1.482 -6.799 0.000) 6.959 2.116 ( -1.482 6.799 0.000) 6.959 2.942 ( 4.852 -3.123 0.000) 5.770 2.942 ( 4.852 3.123 0.000) 5.770 3.024 ( -3.302 -3.909 0.000) 5.117 3.024 ( -3.302 3.909 0.000) 5.117 3.651 ( -4.099 -2.459 0.000) 4.780 3.651 ( -4.099 2.459 0.000) 4.780 3.653 ( -4.282 -3.386 0.000) 5.459 3.653 ( -4.282 3.386 0.000) 5.459 5.826 ( 11.118 -10.770 0.000) 15.479 5.826 ( 11.118 10.770 0.000) 15.479 5.970 ( -3.553 -13.261 0.000) 13.728 5.970 ( -3.553 13.261 0.000) 13.728 6.919 ( 17.204 -15.132 0.000) 22.911 6.919 ( 17.204 15.132 0.000) 22.911 7.235 ( -15.707 -16.071 0.000) 22.472 7.235 ( -15.707 16.071 0.000) 22.472 7.637 ( 23.873 -12.687 0.000) 27.035 7.637 ( 23.873 12.687 0.000) 27.035 8.071 ( -19.152 -8.793 0.000) 21.074 8.071 ( -19.152 8.793 0.000) 21.074 8.537 ( 9.743 -8.502 0.000) 12.931 8.537 ( 9.743 8.502 0.000) 12.931 8.686 ( -5.323 -5.060 0.000) 7.345 8.686 ( -5.323 5.060 0.000) 7.345 9.779 ( 3.064 -11.680 0.000) 12.076 9.779 ( 3.064 11.680 0.000) 12.076 9.905 ( -9.932 -11.538 0.000) 15.224 9.905 ( -9.932 11.538 0.000) 15.224 10.472 ( 1.736 -15.193 0.000) 15.292 10.472 ( 1.736 15.193 0.000) 15.292 10.483 ( -0.550 -15.501 0.000) 15.510 10.483 ( -0.550 15.501 0.000) 15.510 11.688 ( 5.799 -15.617 0.000) 16.659 11.688 ( 5.799 15.617 0.000) 16.659 11.716 ( 3.398 -18.216 0.000) 18.530 11.716 ( 3.398 18.216 0.000) 18.530 12.315 ( -5.301 -6.157 0.000) 8.125 12.315 ( -5.301 6.157 0.000) 8.125 12.347 ( -9.007 -3.548 0.000) 9.680 12.347 ( -9.007 3.548 0.000) 9.680 14.057 ( 2.108 -2.799 0.000) 3.504 14.057 ( 2.108 2.799 0.000) 3.504 14.077 ( -0.108 -1.640 0.000) 1.644 14.077 ( -0.108 1.640 0.000) 1.644 14.659 ( 0.477 -5.638 0.000) 5.658 14.659 ( 0.477 5.638 0.000) 5.658 14.684 ( -2.070 -5.930 0.000) 6.281 14.684 ( -2.070 5.930 0.000) 6.281 15.312 ( 2.830 -3.782 0.000) 4.724 15.312 ( 2.830 3.782 0.000) 4.724 15.331 ( 0.798 -4.819 0.000) 4.884 15.331 ( 0.798 4.819 0.000) 4.884 19.231 ( 8.943 -6.774 0.000) 11.219 19.231 ( 8.943 6.774 0.000) 11.219 19.383 ( -6.635 -2.228 0.000) 7.000 19.383 ( -6.635 2.228 0.000) 7.000 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 0.000 33.979) 33.979 0.722 ( 0.000 0.000 34.728) 34.728 1.335 ( 0.000 0.000 63.794) 63.794 2.589 ( 0.000 0.000 5.232) 5.232 3.017 ( 0.000 0.000 1.253) 1.253 3.290 ( 0.000 0.000 -15.278) 15.278 3.322 ( 0.000 0.000 -4.042) 4.042 3.345 ( 0.000 0.000 -8.417) 8.417 3.431 ( 0.000 0.000 1.334) 1.334 3.533 ( 0.000 0.000 -13.604) 13.604 3.678 ( 0.000 0.000 -6.361) 6.361 4.171 ( 0.000 0.000 5.523) 5.523 4.701 ( 0.000 0.000 -2.923) 2.923 4.887 ( 0.000 0.000 9.365) 9.365 5.674 ( 0.000 0.000 9.706) 9.706 5.925 ( 0.000 0.000 0.868) 0.868 6.122 ( 0.000 0.000 0.405) 0.405 6.148 ( 0.000 0.000 -12.882) 12.882 6.672 ( 0.000 0.000 2.538) 2.538 6.984 ( 0.000 0.000 -15.246) 15.246 7.089 ( 0.000 0.000 4.524) 4.524 7.553 ( 0.000 0.000 22.234) 22.234 8.314 ( 0.000 0.000 -1.620) 1.620 8.358 ( 0.000 0.000 -13.563) 13.563 8.627 ( 0.000 0.000 5.095) 5.095 8.653 ( 0.000 0.000 2.223) 2.223 8.808 ( 0.000 0.000 -7.859) 7.859 8.838 ( 0.000 0.000 -13.798) 13.798 9.708 ( 0.000 0.000 15.258) 15.258 9.805 ( 0.000 0.000 7.796) 7.796 10.046 ( 0.000 0.000 11.507) 11.507 10.090 ( 0.000 0.000 2.588) 2.588 10.116 ( 0.000 0.000 3.347) 3.347 10.270 ( 0.000 0.000 6.290) 6.290 10.602 ( 0.000 0.000 -12.133) 12.133 11.055 ( 0.000 0.000 -2.648) 2.648 11.100 ( 0.000 0.000 -5.738) 5.738 11.184 ( 0.000 0.000 -0.582) 0.582 11.892 ( 0.000 0.000 -10.986) 10.986 12.076 ( 0.000 0.000 -10.149) 10.149 12.659 ( 0.000 0.000 -9.891) 9.891 12.969 ( 0.000 0.000 -3.739) 3.739 13.219 ( 0.000 0.000 -1.930) 1.930 13.230 ( 0.000 0.000 -12.220) 12.220 13.240 ( 0.000 0.000 2.695) 2.695 13.776 ( 0.000 0.000 -2.142) 2.142 14.113 ( 0.000 0.000 -0.214) 0.214 14.189 ( 0.000 0.000 2.174) 2.174 14.262 ( 0.000 0.000 -5.272) 5.272 14.433 ( 0.000 0.000 -0.253) 0.253 14.510 ( 0.000 0.000 -1.084) 1.084 14.589 ( 0.000 0.000 -5.198) 5.198 14.864 ( 0.000 0.000 12.262) 12.262 15.028 ( 0.000 0.000 11.542) 11.542 15.521 ( 0.000 0.000 5.223) 5.223 16.145 ( 0.000 0.000 5.836) 5.836 18.176 ( 0.000 0.000 11.053) 11.053 19.409 ( 0.000 0.000 -1.499) 1.499 19.755 ( 0.000 0.000 -2.650) 2.650 19.760 ( 0.000 0.000 -0.508) 0.508 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 23.070 0.000 23.730) 33.095 1.030 ( 26.579 0.000 22.102) 34.568 1.807 ( 41.727 0.000 43.035) 59.943 2.606 ( 1.366 0.000 3.926) 4.157 2.989 ( -3.117 0.000 -0.634) 3.181 3.215 ( -8.424 0.000 -9.970) 13.052 3.291 ( -5.244 0.000 -7.562) 9.202 3.335 ( 0.295 0.000 -4.032) 4.042 3.421 ( -11.174 0.000 -10.565) 15.378 3.425 ( 3.881 0.000 -3.852) 5.469 3.673 ( -0.002 0.000 -5.126) 5.126 4.266 ( 8.933 0.000 4.044) 9.806 4.608 ( -9.592 0.000 -1.996) 9.797 4.920 ( 3.141 0.000 9.154) 9.678 5.470 ( -9.860 0.000 15.829) 18.649 5.623 ( -1.827 0.000 5.811) 6.091 6.320 ( 14.290 0.000 -11.337) 18.242 6.503 ( 9.126 0.000 4.943) 10.379 6.672 ( 0.070 0.000 2.423) 2.424 6.857 ( -7.042 0.000 -10.972) 13.037 7.286 ( 12.538 0.000 -10.026) 16.054 7.585 ( 3.071 0.000 18.465) 18.719 8.303 ( -6.350 0.000 -12.320) 13.860 8.372 ( 2.364 0.000 -5.974) 6.425 8.430 ( -13.869 0.000 9.597) 16.865 8.664 ( 2.075 0.000 6.420) 6.747 8.797 ( -1.983 0.000 -10.037) 10.231 8.824 ( -0.246 0.000 -2.228) 2.242 9.376 ( -5.997 0.000 12.850) 14.180 9.791 ( -0.328 0.000 -3.076) 3.093 9.934 ( -5.320 0.000 13.022) 14.067 10.201 ( -4.532 0.000 3.962) 6.020 10.239 ( 10.208 0.000 8.012) 12.977 10.566 ( 6.165 0.000 -7.943) 10.054 10.794 ( 19.744 0.000 -20.136) 28.201 10.906 ( -9.964 0.000 -4.170) 10.802 11.059 ( -2.107 0.000 -4.329) 4.815 11.315 ( 6.944 0.000 3.352) 7.711 11.765 ( -14.254 0.000 -5.915) 15.433 12.025 ( -0.071 0.000 -11.819) 11.819 12.593 ( -4.844 0.000 -0.675) 4.890 12.816 ( -11.779 0.000 -1.511) 11.876 13.176 ( -5.735 0.000 -2.454) 6.238 13.206 ( -3.124 0.000 -8.975) 9.503 13.376 ( 9.991 0.000 0.381) 9.998 13.785 ( 1.007 0.000 -2.427) 2.628 14.079 ( -2.484 0.000 -0.852) 2.626 14.114 ( 0.181 0.000 -0.073) 0.195 14.187 ( -0.235 0.000 1.986) 2.000 14.416 ( 2.543 0.000 7.313) 7.743 14.510 ( -0.053 0.000 -1.244) 1.246 14.582 ( -0.696 0.000 -4.700) 4.751 14.944 ( 3.016 0.000 11.291) 11.687 15.278 ( 8.981 0.000 -3.180) 9.527 15.594 ( 6.585 0.000 3.304) 7.367 16.043 ( -6.416 0.000 7.302) 9.720 18.246 ( 7.113 0.000 10.212) 12.445 19.400 ( -0.577 0.000 -2.737) 2.797 19.744 ( -1.693 0.000 -1.043) 1.989 19.831 ( 2.564 0.000 -6.262) 6.767 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 24.571 0.000 14.058) 28.308 1.594 ( 29.577 0.000 9.642) 31.109 2.610 ( -1.931 0.000 -0.156) 1.937 2.630 ( 36.212 0.000 23.181) 42.996 2.903 ( -5.460 0.000 -0.780) 5.515 3.065 ( -4.802 0.000 -12.738) 13.613 3.137 ( -16.034 0.000 -4.634) 16.690 3.176 ( -6.156 0.000 -5.072) 7.977 3.324 ( -1.520 0.000 -5.532) 5.737 3.551 ( 8.381 0.000 -2.180) 8.660 3.696 ( 3.157 0.000 -2.670) 4.135 4.354 ( -15.676 0.000 0.729) 15.693 4.463 ( 10.161 0.000 2.590) 10.485 4.983 ( 2.521 0.000 9.058) 9.402 5.521 ( 11.533 0.000 4.282) 12.303 5.680 ( 8.160 0.000 1.529) 8.302 6.576 ( 2.024 0.000 17.315) 17.433 6.590 ( 9.119 0.000 -7.426) 11.760 6.695 ( 5.565 0.000 -2.118) 5.955 6.746 ( -4.587 0.000 -10.914) 11.838 7.504 ( 9.761 0.000 -13.594) 16.735 7.648 ( 2.048 0.000 8.935) 9.167 8.135 ( -8.728 0.000 -6.583) 10.932 8.166 ( -10.843 0.000 1.658) 10.969 8.372 ( -5.799 0.000 -0.563) 5.826 8.740 ( 4.767 0.000 5.818) 7.521 8.774 ( -0.544 0.000 -5.599) 5.626 8.828 ( 1.485 0.000 -2.161) 2.622 9.347 ( -1.966 0.000 8.733) 8.951 9.790 ( -0.449 0.000 -15.345) 15.352 9.883 ( 2.008 0.000 1.737) 2.654 10.029 ( -12.773 0.000 0.985) 12.811 10.404 ( 4.609 0.000 11.260) 12.167 10.636 ( 2.455 0.000 -7.675) 8.058 10.800 ( 0.897 0.000 0.522) 1.038 11.000 ( -3.932 0.000 -0.869) 4.027 11.064 ( 9.194 0.000 -11.965) 15.090 11.428 ( 5.439 0.000 6.086) 8.162 11.516 ( -9.370 0.000 0.424) 9.379 12.031 ( 0.668 0.000 -9.501) 9.524 12.502 ( -4.510 0.000 1.589) 4.782 12.572 ( -13.136 0.000 -0.235) 13.138 12.974 ( -14.568 0.000 -4.589) 15.273 13.098 ( -7.774 0.000 -1.712) 7.960 13.565 ( 9.175 0.000 -1.263) 9.262 13.818 ( 2.567 0.000 -3.107) 4.031 14.123 ( 0.872 0.000 0.283) 0.916 14.175 ( -1.067 0.000 1.442) 1.794 14.214 ( 12.727 0.000 -11.283) 17.008 14.503 ( 5.872 0.000 1.382) 6.033 14.504 ( -0.643 0.000 -1.499) 1.631 14.560 ( -1.653 0.000 -3.455) 3.830 15.025 ( 5.843 0.000 12.970) 14.225 15.327 ( -0.684 0.000 4.313) 4.367 15.683 ( 1.568 0.000 0.453) 1.632 15.958 ( -3.122 0.000 8.401) 8.962 18.444 ( 13.133 0.000 7.782) 15.266 19.394 ( 0.188 0.000 -5.645) 5.649 19.687 ( -4.501 0.000 -2.147) 4.987 19.813 ( -3.682 0.000 -4.787) 6.039 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 21.793 0.000 7.688) 23.110 2.106 ( 21.465 0.000 0.054) 21.465 2.518 ( -6.814 0.000 -4.878) 8.380 2.778 ( -7.858 0.000 1.536) 8.006 2.858 ( -10.183 0.000 0.330) 10.189 2.910 ( 0.654 0.000 -4.177) 4.228 3.092 ( -3.456 0.000 -0.997) 3.597 3.169 ( 5.096 0.000 -3.681) 6.286 3.302 ( 2.704 0.000 -4.859) 5.561 3.694 ( 3.678 0.000 -0.638) 3.733 3.833 ( 9.129 0.000 2.369) 9.431 4.066 ( -10.993 0.000 6.234) 12.637 4.635 ( 7.784 0.000 3.372) 8.483 4.990 ( -2.127 0.000 8.620) 8.878 5.841 ( 20.384 0.000 -2.275) 20.511 5.915 ( 14.996 0.000 -0.317) 14.999 6.597 ( -3.877 0.000 2.432) 4.577 6.647 ( -2.116 0.000 -1.850) 2.811 6.697 ( 8.087 0.000 8.963) 12.072 6.928 ( 13.262 0.000 -11.582) 17.607 7.579 ( -9.411 0.000 -0.597) 9.430 7.657 ( 5.596 0.000 -12.376) 13.582 7.984 ( -9.449 0.000 -0.194) 9.451 8.094 ( 5.817 0.000 -6.817) 8.962 8.159 ( -14.235 0.000 -2.112) 14.391 8.774 ( 0.903 0.000 -5.612) 5.684 8.776 ( -3.237 0.000 -7.294) 7.980 8.883 ( 3.436 0.000 1.140) 3.620 9.253 ( -6.148 0.000 5.313) 8.126 9.690 ( -18.236 0.000 2.141) 18.361 9.802 ( 4.038 0.000 -7.880) 8.855 10.071 ( 13.166 0.000 -7.057) 14.938 10.413 ( -3.347 0.000 11.178) 11.668 10.653 ( -1.285 0.000 -7.783) 7.888 10.868 ( 2.078 0.000 5.463) 5.845 10.939 ( -0.546 0.000 6.823) 6.845 11.196 ( 5.333 0.000 -3.155) 6.196 11.403 ( -3.265 0.000 4.798) 5.803 11.560 ( 9.038 0.000 3.674) 9.756 12.065 ( 2.772 0.000 -9.362) 9.764 12.313 ( -13.691 0.000 0.364) 13.696 12.432 ( -2.574 0.000 1.296) 2.882 12.669 ( -14.926 0.000 -2.173) 15.084 12.921 ( -10.170 0.000 2.367) 10.442 13.725 ( 7.397 0.000 -2.821) 7.916 13.880 ( 3.464 0.000 -3.806) 5.146 14.143 ( 0.701 0.000 0.443) 0.829 14.145 ( -1.750 0.000 1.011) 2.021 14.450 ( 9.875 0.000 -17.453) 20.053 14.486 ( -1.111 0.000 -1.441) 1.819 14.520 ( -2.284 0.000 -2.011) 3.043 14.613 ( 4.564 0.000 -6.319) 7.795 15.184 ( 10.874 0.000 12.828) 16.817 15.331 ( 2.365 0.000 7.641) 7.999 15.659 ( -3.637 0.000 1.152) 3.815 15.878 ( -6.093 0.000 11.521) 13.033 18.736 ( 16.550 0.000 4.259) 17.089 19.416 ( 2.226 0.000 -8.067) 8.368 19.562 ( -8.658 0.000 -2.717) 9.074 19.714 ( -6.097 0.000 -5.367) 8.123 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 17.170 0.000 4.511) 17.752 2.340 ( 3.653 0.000 -7.812) 8.624 2.399 ( -4.510 0.000 -6.913) 8.254 2.588 ( -12.031 0.000 2.903) 12.376 2.839 ( 7.606 0.000 4.145) 8.662 2.963 ( 5.362 0.000 -9.437) 10.854 3.001 ( -6.794 0.000 1.605) 6.981 3.096 ( -7.340 0.000 -9.340) 11.879 3.433 ( 8.089 0.000 -0.417) 8.100 3.611 ( -9.814 0.000 -1.089) 9.874 3.940 ( 5.064 0.000 7.097) 8.719 4.012 ( -0.942 0.000 8.828) 8.878 4.776 ( 7.066 0.000 5.331) 8.852 4.906 ( -6.061 0.000 7.247) 9.448 6.215 ( 15.010 0.000 1.192) 15.058 6.239 ( 18.615 0.000 -1.584) 18.682 6.463 ( -10.129 0.000 2.960) 10.552 6.516 ( -10.136 0.000 -2.399) 10.416 7.035 ( 24.298 0.000 1.482) 24.343 7.161 ( 10.921 0.000 -9.643) 14.569 7.368 ( -11.021 0.000 -5.527) 12.329 7.536 ( -22.967 0.000 -6.074) 23.757 7.862 ( 2.784 0.000 -5.359) 6.039 7.960 ( -6.454 0.000 -1.451) 6.615 8.303 ( 14.309 0.000 -15.412) 21.030 8.594 ( -14.142 0.000 -18.850) 23.565 8.823 ( 4.275 0.000 -3.420) 5.475 8.907 ( -2.459 0.000 1.684) 2.980 9.198 ( 2.784 0.000 0.791) 2.895 9.367 ( -13.766 0.000 1.069) 13.808 9.984 ( 13.632 0.000 6.921) 15.288 10.256 ( -12.560 0.000 10.523) 16.385 10.346 ( 13.841 0.000 -7.112) 15.561 10.565 ( -8.123 0.000 -7.467) 11.034 10.895 ( 2.374 0.000 8.794) 9.109 10.940 ( -1.308 0.000 9.946) 10.032 11.287 ( 4.112 0.000 2.710) 4.925 11.353 ( -2.686 0.000 5.334) 5.972 11.780 ( 13.090 0.000 1.068) 13.134 12.045 ( -14.000 0.000 0.532) 14.010 12.141 ( 5.771 0.000 -9.527) 11.138 12.306 ( -10.668 0.000 -8.555) 13.675 12.562 ( 4.751 0.000 7.978) 9.286 12.720 ( -10.077 0.000 5.566) 11.512 13.851 ( 5.469 0.000 -4.200) 6.895 13.918 ( -0.717 0.000 -4.617) 4.672 14.123 ( 0.307 0.000 0.902) 0.953 14.144 ( -0.921 0.000 0.787) 1.212 14.470 ( -0.305 0.000 -1.070) 1.113 14.481 ( -1.491 0.000 -1.022) 1.808 14.587 ( 4.824 0.000 -16.633) 17.318 14.646 ( -1.133 0.000 -13.269) 13.318 15.410 ( 8.413 0.000 5.343) 9.966 15.449 ( 11.907 0.000 10.290) 15.738 15.558 ( -6.007 0.000 6.805) 9.077 15.707 ( -11.465 0.000 12.980) 17.319 19.060 ( 16.397 0.000 0.679) 16.412 19.350 ( -13.210 0.000 -1.844) 13.338 19.483 ( 4.696 0.000 -8.526) 9.734 19.591 ( -6.250 0.000 -7.175) 9.516 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.000 22.717 23.629) 32.779 1.066 ( 0.000 27.663 20.565) 34.470 1.788 ( 0.000 35.169 40.591) 53.707 2.582 ( 0.000 -2.788 2.803) 3.954 2.858 ( 0.000 -9.653 2.018) 9.862 3.180 ( 0.000 -10.903 -7.523) 13.246 3.225 ( 0.000 -4.628 -14.314) 15.044 3.386 ( 0.000 -1.818 -1.026) 2.087 3.461 ( 0.000 6.030 -3.111) 6.785 3.558 ( 0.000 -5.774 -5.012) 7.646 3.710 ( 0.000 11.483 -12.326) 16.847 4.578 ( 0.000 -9.966 -3.150) 10.452 4.596 ( 0.000 24.922 -9.875) 26.808 4.929 ( 0.000 2.470 11.145) 11.416 5.723 ( 0.000 -0.730 1.414) 1.591 5.817 ( 0.000 -8.603 18.611) 20.503 5.875 ( 0.000 -4.079 -1.188) 4.249 6.209 ( 0.000 4.987 -10.573) 11.690 6.911 ( 0.000 19.579 1.791) 19.660 6.924 ( 0.000 -5.521 -13.966) 15.018 7.040 ( 0.000 -2.794 5.376) 6.059 7.552 ( 0.000 0.261 18.492) 18.494 8.290 ( 0.000 -15.590 -6.397) 16.851 8.364 ( 0.000 4.621 -2.072) 5.064 8.587 ( 0.000 4.299 8.349) 9.391 8.659 ( 0.000 2.914 6.923) 7.511 8.846 ( 0.000 2.699 -8.511) 8.929 8.898 ( 0.000 0.713 -14.538) 14.556 9.505 ( 0.000 -7.034 7.278) 10.122 9.828 ( 0.000 0.494 4.552) 4.578 9.924 ( 0.000 -6.270 18.609) 19.637 10.001 ( 0.000 -7.784 4.583) 9.033 10.277 ( 0.000 2.360 7.039) 7.425 10.400 ( 0.000 8.883 -6.212) 10.840 10.591 ( 0.000 -0.626 -11.804) 11.821 11.118 ( 0.000 -3.658 -2.918) 4.679 11.134 ( 0.000 6.638 -3.467) 7.489 11.249 ( 0.000 6.109 0.039) 6.109 11.961 ( 0.000 -6.010 -9.986) 11.655 11.995 ( 0.000 0.909 -15.310) 15.337 12.652 ( 0.000 -0.455 -10.040) 10.050 12.891 ( 0.000 -7.282 -5.992) 9.430 13.173 ( 0.000 -1.296 1.395) 1.904 13.224 ( 0.000 -0.500 -11.621) 11.632 13.332 ( 0.000 8.032 2.196) 8.326 13.810 ( 0.000 4.492 -1.039) 4.611 13.944 ( 0.000 -5.306 4.537) 6.981 14.115 ( 0.000 1.728 7.852) 8.040 14.373 ( 0.000 -4.590 0.101) 4.592 14.389 ( 0.000 6.103 -2.369) 6.546 14.535 ( 0.000 1.539 -2.960) 3.336 14.615 ( 0.000 1.941 -4.725) 5.108 14.927 ( 0.000 2.610 12.033) 12.313 15.252 ( 0.000 9.062 -4.746) 10.229 15.459 ( 0.000 -5.761 4.622) 7.386 16.000 ( 0.000 -12.763 9.321) 15.804 18.270 ( 0.000 8.209 9.164) 12.303 19.318 ( 0.000 -23.051 15.853) 27.976 19.418 ( 0.000 0.925 -1.512) 1.773 19.722 ( 0.000 -3.454 -0.650) 3.515 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 17.987 18.518 17.414) 31.139 1.256 ( 16.054 18.322 21.831) 32.711 2.137 ( 31.454 26.021 26.848) 48.860 2.579 ( -0.506 -4.340 1.792) 4.723 2.830 ( -2.874 -10.010 1.574) 10.532 3.090 ( -7.527 -8.373 -7.895) 13.751 3.235 ( -0.626 -4.990 -8.608) 9.969 3.362 ( -4.677 -0.427 -2.294) 5.227 3.469 ( 3.330 4.052 -4.651) 7.010 3.524 ( -3.206 -1.562 -5.983) 6.965 3.674 ( -3.233 10.210 -9.037) 14.013 4.477 ( -8.191 -6.158 -2.738) 10.607 4.641 ( 3.189 22.055 -5.750) 23.014 4.974 ( 4.505 3.560 10.664) 12.112 5.443 ( -7.635 -1.468 13.435) 15.522 5.668 ( -3.479 4.079 4.736) 7.153 6.286 ( 17.210 -12.413 5.672) 21.965 6.361 ( 10.887 2.571 -10.482) 15.330 6.787 ( -7.254 -3.851 -7.074) 10.840 6.926 ( -0.357 20.440 1.533) 20.501 7.211 ( 11.659 -6.643 -7.409) 15.329 7.592 ( 4.068 0.578 15.930) 16.451 8.198 ( -6.534 -9.901 -3.984) 12.514 8.356 ( -5.005 1.113 -3.085) 5.984 8.492 ( -5.364 3.551 5.862) 8.703 8.673 ( 0.352 0.185 6.134) 6.147 8.849 ( -3.787 1.561 -8.061) 9.042 8.922 ( 5.595 6.552 -5.517) 10.231 9.408 ( -3.381 3.429 5.570) 7.363 9.802 ( -3.241 -0.451 -0.707) 3.347 9.893 ( -2.293 -3.408 10.592) 11.361 10.109 ( 4.672 -5.405 0.255) 7.149 10.307 ( 5.317 2.027 9.585) 11.146 10.470 ( 4.488 -4.112 -4.210) 7.400 10.638 ( 1.631 -4.361 -11.347) 12.265 11.059 ( -1.537 2.541 -4.158) 5.110 11.142 ( -0.686 5.197 -4.401) 6.844 11.327 ( 5.357 1.942 5.242) 7.743 11.789 ( -13.859 -0.424 -9.070) 16.569 11.992 ( -0.517 -2.276 -12.560) 12.776 12.566 ( -5.489 -1.562 -2.609) 6.275 12.828 ( -8.438 0.144 -5.706) 10.187 13.112 ( -4.001 -5.362 -0.931) 6.754 13.171 ( -6.511 -1.883 -9.101) 11.347 13.446 ( 8.540 6.185 0.460) 10.555 13.846 ( 1.474 5.491 -3.108) 6.480 13.968 ( 4.489 -3.865 -0.197) 5.927 14.144 ( 3.191 2.846 6.965) 8.172 14.266 ( -4.030 2.895 -2.802) 5.698 14.459 ( 2.961 2.430 -0.324) 3.844 14.521 ( -0.655 1.566 -1.954) 2.588 14.616 ( -0.069 2.879 -3.481) 4.517 14.961 ( 2.854 1.790 12.949) 13.380 15.302 ( 1.920 0.729 -0.633) 2.149 15.525 ( 5.450 -6.456 2.089) 8.703 15.931 ( -4.513 -10.114 9.621) 14.670 18.328 ( 6.106 7.356 8.657) 12.897 19.396 ( 0.515 -3.178 -1.662) 3.623 19.490 ( 9.136 -19.410 3.926) 21.809 19.708 ( -1.582 -3.354 -1.224) 3.905 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 17.334 10.124 14.140) 24.554 1.687 ( 24.980 6.200 12.629) 28.669 2.540 ( -2.866 -6.413 -2.041) 7.315 2.701 ( 4.014 -5.593 2.640) 7.373 2.803 ( 14.667 3.154 6.366) 16.297 2.944 ( -6.056 -4.160 -5.506) 9.182 3.184 ( -3.808 0.440 0.357) 3.850 3.263 ( -5.005 0.110 -4.982) 7.062 3.427 ( -4.189 5.519 -8.929) 11.302 3.577 ( 5.469 2.916 -1.845) 6.466 3.634 ( 0.971 1.642 -3.040) 3.589 4.256 ( -14.066 -7.235 -0.291) 15.820 4.746 ( 7.167 23.307 -0.469) 24.389 5.087 ( 6.518 7.439 10.202) 14.210 5.504 ( 11.469 -1.449 4.828) 12.528 5.708 ( 7.966 2.863 1.519) 8.600 6.444 ( 4.621 -6.634 6.830) 10.584 6.639 ( 3.705 -1.505 -4.916) 6.337 6.707 ( 9.650 -1.163 -9.248) 13.416 6.903 ( -2.420 19.269 2.564) 19.589 7.419 ( 9.427 -7.684 -12.322) 17.313 7.693 ( 5.108 2.849 9.967) 11.556 8.078 ( -5.269 -4.234 -2.447) 7.188 8.181 ( -10.306 1.732 -2.008) 10.642 8.387 ( -7.205 0.486 1.348) 7.347 8.700 ( 2.129 0.167 7.689) 7.980 8.756 ( -4.799 -2.224 -9.394) 10.780 9.020 ( 3.072 9.561 0.702) 10.067 9.382 ( -1.934 5.497 2.969) 6.540 9.747 ( -1.462 -3.532 -10.192) 10.886 9.872 ( 0.009 -1.385 2.791) 3.116 10.060 ( -6.955 3.020 -3.836) 8.497 10.455 ( 4.476 4.234 11.717) 13.238 10.552 ( 2.712 -6.819 -4.268) 8.489 10.657 ( 5.933 -9.516 -4.895) 12.236 11.050 ( -1.156 4.536 -1.426) 4.894 11.140 ( 1.018 1.124 -1.197) 1.932 11.385 ( -1.018 -2.293 7.628) 8.030 11.587 ( -3.668 5.620 -5.966) 8.979 11.986 ( 0.550 -4.052 -8.336) 9.285 12.469 ( -4.740 -2.326 0.507) 5.304 12.611 ( -12.828 3.029 -2.477) 13.412 12.945 ( -14.633 -2.632 -4.970) 15.677 13.019 ( -7.548 -6.709 -3.125) 10.571 13.614 ( 8.555 4.538 -0.860) 9.723 13.865 ( 1.484 3.854 -2.649) 4.906 14.074 ( 4.301 -2.671 -1.523) 5.287 14.183 ( -1.077 0.617 2.550) 2.836 14.309 ( 9.167 6.604 -8.949) 14.413 14.512 ( 0.747 1.355 -2.855) 3.247 14.520 ( 1.886 1.212 -3.286) 3.978 14.610 ( -0.183 4.002 -1.505) 4.279 15.039 ( 5.493 1.363 13.563) 14.697 15.302 ( -0.908 -1.994 5.889) 6.283 15.599 ( 1.706 -7.643 0.457) 7.844 15.875 ( -1.931 -7.491 10.000) 12.643 18.504 ( 11.820 5.469 6.657) 14.626 19.394 ( -0.036 -0.342 -5.529) 5.540 19.601 ( 1.874 -16.552 -1.281) 16.707 19.654 ( -4.189 -2.969 -2.401) 5.668 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 14.084 -0.867 7.530) 15.994 2.145 ( 20.843 0.305 6.471) 21.827 2.429 ( -7.607 -9.957 -4.758) 13.403 2.626 ( -2.884 -3.821 2.444) 5.375 2.871 ( -1.478 -1.311 -4.323) 4.753 2.971 ( -0.702 -3.929 -3.541) 5.336 3.094 ( -6.351 6.163 -0.646) 8.873 3.190 ( -3.178 -0.827 -5.123) 6.085 3.412 ( 1.805 7.342 -4.525) 8.812 3.637 ( 1.539 -4.970 -1.190) 5.337 3.743 ( 5.515 -3.640 3.172) 7.329 3.984 ( -11.893 -5.485 4.288) 13.781 4.907 ( 9.519 23.138 2.559) 25.150 5.190 ( 3.196 14.985 9.729) 18.150 5.816 ( 19.275 -2.552 -0.813) 19.461 5.942 ( 14.777 2.896 -1.530) 15.136 6.518 ( -1.476 -4.474 -6.771) 8.249 6.655 ( 10.213 -1.218 7.491) 12.724 6.816 ( -6.862 14.222 4.399) 16.392 7.020 ( 16.012 4.779 -10.266) 19.612 7.574 ( 6.365 -6.249 -11.142) 14.273 7.687 ( -6.779 6.551 0.877) 9.468 7.990 ( -8.180 1.138 1.999) 8.497 8.060 ( -1.003 -1.257 -8.131) 8.289 8.213 ( -6.700 3.530 -2.462) 7.963 8.667 ( -3.198 -6.150 -5.655) 8.945 8.750 ( 1.141 -1.539 -2.839) 3.425 9.017 ( -3.235 4.995 1.773) 6.210 9.299 ( -5.087 6.185 -3.128) 8.597 9.678 ( -10.252 0.305 1.418) 10.355 9.845 ( 1.224 2.052 -5.695) 6.176 10.060 ( 9.138 0.185 -2.949) 9.604 10.448 ( -4.823 2.619 10.653) 11.984 10.544 ( -2.133 -7.581 -5.907) 9.845 10.870 ( 11.752 -4.667 3.088) 13.016 11.027 ( -0.037 9.992 4.007) 10.765 11.162 ( 0.884 -4.425 2.399) 5.110 11.317 ( -3.837 -4.766 6.657) 9.042 11.645 ( 7.227 6.273 -1.892) 9.755 12.024 ( 3.210 -3.850 -7.867) 9.328 12.345 ( -12.766 2.363 -1.590) 13.080 12.406 ( -2.670 -1.940 2.583) 4.191 12.631 ( -16.218 -3.036 -4.325) 17.057 12.847 ( -10.022 -6.573 1.134) 12.038 13.769 ( 7.293 3.935 -1.960) 8.515 13.911 ( 3.011 2.725 -3.220) 5.183 14.128 ( 1.507 -1.292 0.186) 1.994 14.151 ( -1.848 0.411 1.137) 2.208 14.454 ( 2.983 0.743 -9.033) 9.542 14.520 ( -0.548 1.498 -4.042) 4.346 14.545 ( 2.385 3.268 -8.028) 8.990 14.637 ( 2.362 1.884 -6.330) 7.014 15.185 ( 9.883 0.036 11.886) 15.458 15.315 ( 3.148 -0.893 9.278) 9.838 15.593 ( -2.202 -5.913 1.688) 6.531 15.814 ( -5.210 -5.849 11.463) 13.884 18.770 ( 15.218 3.204 3.485) 15.938 19.405 ( 1.356 -1.053 -7.778) 7.965 19.537 ( -8.060 -2.283 -3.133) 8.944 19.587 ( -2.690 -10.659 -3.882) 11.658 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 8.200 -8.505 1.412) 11.899 2.240 ( -7.443 -9.079 -2.129) 11.931 2.504 ( 11.707 -1.017 1.275) 11.820 2.617 ( -0.075 0.265 2.132) 2.150 2.857 ( 0.232 2.039 -0.196) 2.062 2.925 ( -4.030 -4.419 -0.463) 5.998 3.012 ( 0.443 4.300 -6.575) 7.869 3.095 ( -5.915 -0.514 -8.436) 10.316 3.468 ( 4.308 2.028 -2.296) 5.286 3.583 ( -6.790 -3.146 -2.161) 7.789 3.789 ( 2.647 -9.097 6.584) 11.537 3.857 ( -3.732 -9.266 8.308) 12.992 5.086 ( 7.970 23.966 4.265) 25.614 5.193 ( -2.872 21.633 7.082) 22.944 6.156 ( 13.419 -4.931 -1.978) 14.432 6.234 ( 12.267 -1.795 0.336) 12.403 6.434 ( -2.705 1.140 -3.304) 4.420 6.616 ( -13.025 8.911 4.886) 16.521 7.040 ( 25.842 1.795 -1.384) 25.941 7.294 ( 12.153 8.694 -9.055) 17.472 7.502 ( -11.259 7.013 -5.197) 14.247 7.537 ( -17.682 1.876 -6.971) 19.099 7.837 ( 1.256 -1.409 -4.963) 5.309 7.944 ( -6.865 -0.360 -2.824) 7.432 8.318 ( 11.480 1.648 -13.204) 17.574 8.547 ( -10.459 -3.561 -13.977) 17.817 8.792 ( 4.639 -3.183 -3.419) 6.583 8.914 ( -6.830 -0.863 2.472) 7.314 9.273 ( 3.692 7.626 -1.932) 8.690 9.431 ( -11.923 6.245 1.069) 13.502 9.995 ( 12.335 0.433 4.006) 12.977 10.244 ( -6.240 -3.809 5.094) 8.910 10.299 ( 4.703 -0.860 2.250) 5.283 10.468 ( -6.581 -6.301 -2.222) 9.378 11.030 ( 4.121 6.242 5.654) 9.376 11.058 ( 1.665 12.068 5.847) 13.513 11.185 ( 2.536 -8.575 4.121) 9.846 11.252 ( -3.339 -7.511 6.672) 10.587 11.827 ( 11.272 3.922 -1.455) 12.023 12.054 ( -8.667 -0.301 -2.795) 9.111 12.142 ( 1.596 0.757 -6.975) 7.196 12.304 ( -11.345 -0.307 -8.475) 14.164 12.487 ( 4.908 -6.651 7.588) 11.221 12.648 ( -10.137 -6.512 4.597) 12.896 13.891 ( 5.179 3.535 -3.289) 7.080 13.950 ( -0.221 2.757 -3.927) 4.804 14.123 ( -0.150 -0.027 0.929) 0.941 14.137 ( -0.708 -0.618 0.827) 1.252 14.471 ( 0.382 0.361 -2.530) 2.584 14.489 ( -1.574 0.975 -1.839) 2.610 14.609 ( 2.942 1.496 -14.061) 14.444 14.651 ( -1.114 0.261 -12.535) 12.587 15.391 ( 8.406 -1.585 6.036) 10.469 15.436 ( 10.385 -1.092 10.178) 14.581 15.520 ( -4.895 -3.288 6.502) 8.778 15.663 ( -10.286 -4.028 12.111) 16.393 19.070 ( 15.233 0.989 0.106) 15.265 19.339 ( -12.314 -0.876 -2.316) 12.560 19.449 ( 3.101 -3.058 -8.021) 9.127 19.519 ( -3.904 -6.284 -6.368) 9.761 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 24.418 11.541) 27.008 1.696 ( 0.000 30.091 9.182) 31.461 2.402 ( 0.000 16.475 15.844) 22.857 2.419 ( 0.000 -11.526 -0.028) 11.526 2.681 ( 0.000 -8.037 2.824) 8.518 2.865 ( 0.000 -19.085 -3.090) 19.333 3.187 ( 0.000 1.799 -9.935) 10.097 3.295 ( 0.000 -3.330 -6.609) 7.400 3.553 ( 0.000 8.753 -1.590) 8.896 3.703 ( 0.000 13.201 -2.958) 13.529 3.883 ( 0.000 3.265 -10.684) 11.172 4.321 ( 0.000 -14.010 -3.452) 14.429 4.948 ( 0.000 7.452 2.450) 7.845 4.967 ( 0.000 1.199 13.583) 13.636 5.603 ( 0.000 -0.503 1.505) 1.587 5.776 ( 0.000 -5.087 -2.127) 5.514 6.011 ( 0.000 16.192 5.203) 17.008 6.335 ( 0.000 6.703 -8.870) 11.118 6.768 ( 0.000 -8.785 -10.648) 13.804 6.824 ( 0.000 -12.861 4.748) 13.710 7.527 ( 0.000 25.211 5.664) 25.839 7.604 ( 0.000 11.367 7.366) 13.545 7.960 ( 0.000 -14.311 0.345) 14.315 8.495 ( 0.000 7.457 -3.914) 8.421 8.545 ( 0.000 -8.666 7.756) 11.630 8.743 ( 0.000 5.007 9.629) 10.853 8.817 ( 0.000 -6.087 -11.433) 12.952 8.933 ( 0.000 0.886 -2.390) 2.549 9.447 ( 0.000 0.845 0.539) 1.002 9.727 ( 0.000 -9.659 0.627) 9.679 9.792 ( 0.000 -4.698 15.347) 16.050 9.858 ( 0.000 -4.832 7.086) 8.576 10.411 ( 0.000 9.885 7.791) 12.586 10.513 ( 0.000 3.302 -6.227) 7.048 10.581 ( 0.000 -0.470 -10.981) 10.991 10.930 ( 0.000 -12.386 3.318) 12.823 11.303 ( 0.000 9.116 -4.693) 10.254 11.432 ( 0.000 10.990 0.745) 11.015 11.742 ( 0.000 -11.422 -7.265) 13.537 11.934 ( 0.000 -8.578 -5.858) 10.388 12.653 ( 0.000 0.793 -10.074) 10.105 12.760 ( 0.000 -4.439 -10.482) 11.383 13.175 ( 0.000 0.633 -2.389) 2.472 13.209 ( 0.000 -0.851 -10.921) 10.954 13.537 ( 0.000 10.433 1.854) 10.596 13.847 ( 0.000 -3.419 -0.326) 3.434 13.978 ( 0.000 7.181 -3.436) 7.961 14.260 ( 0.000 -5.978 -0.092) 5.979 14.267 ( 0.000 12.321 3.871) 12.914 14.505 ( 0.000 4.405 -5.225) 6.834 14.563 ( 0.000 0.934 -4.660) 4.753 14.641 ( 0.000 -0.464 -6.380) 6.397 15.009 ( 0.000 5.418 15.468) 16.389 15.297 ( 0.000 -8.753 3.842) 9.559 15.321 ( 0.000 0.329 3.070) 3.088 15.675 ( 0.000 -16.344 16.810) 23.446 18.481 ( 0.000 11.075 6.137) 12.662 18.963 ( 0.000 -12.829 8.891) 15.609 19.453 ( 0.000 2.515 -1.486) 2.921 19.628 ( 0.000 -5.062 -0.994) 5.159 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 7.274 19.372 10.965) 23.418 1.770 ( 5.871 26.216 12.472) 29.619 2.385 ( -2.666 -12.332 -0.032) 12.616 2.566 ( 12.607 7.596 8.320) 16.907 2.656 ( -1.157 -6.710 3.057) 7.463 2.860 ( -0.934 -14.072 -2.464) 14.316 3.140 ( -3.485 -1.199 -8.383) 9.158 3.287 ( -2.184 -4.346 -6.259) 7.927 3.557 ( 1.172 11.835 -2.052) 12.069 3.709 ( 0.475 12.330 -2.910) 12.678 3.865 ( -2.285 4.884 -10.065) 11.418 4.258 ( -6.370 -12.240 -3.005) 14.122 5.015 ( 7.413 6.474 3.858) 10.572 5.042 ( 7.108 3.895 8.124) 11.476 5.497 ( -3.343 8.279 4.637) 10.061 5.759 ( -4.053 2.143 1.447) 4.807 6.131 ( 12.405 0.929 6.771) 14.163 6.455 ( 9.183 5.199 -10.398) 14.815 6.642 ( -5.975 -8.050 -2.301) 10.286 6.995 ( 10.646 -12.793 -5.598) 17.559 7.505 ( -2.636 26.882 2.543) 27.130 7.635 ( 3.533 6.227 7.570) 10.420 7.964 ( 0.887 -9.711 0.896) 9.792 8.434 ( -8.530 1.946 0.132) 8.750 8.487 ( -3.530 -1.885 1.876) 4.420 8.690 ( -2.246 0.891 0.295) 2.434 8.832 ( -1.983 -2.298 -0.412) 3.063 8.981 ( 5.107 -1.478 2.520) 5.883 9.497 ( 4.808 4.043 -1.115) 6.380 9.747 ( -2.689 -4.612 0.117) 5.340 9.808 ( 2.833 -2.912 7.490) 8.521 9.974 ( 12.641 -6.711 2.491) 14.528 10.353 ( -5.144 4.571 -1.902) 7.140 10.510 ( 0.836 4.306 1.860) 4.764 10.576 ( -1.786 -1.596 -6.446) 6.877 10.928 ( 0.055 -11.712 3.338) 12.179 11.293 ( -1.235 8.843 -4.521) 10.009 11.451 ( 1.123 8.975 3.512) 9.703 11.686 ( -4.629 -7.934 -6.637) 11.332 11.904 ( -2.483 -7.527 -4.852) 9.293 12.573 ( -5.810 2.558 -8.325) 10.469 12.776 ( -1.289 -4.998 -10.183) 11.416 13.051 ( -10.145 -0.034 -2.728) 10.505 13.126 ( -8.855 -2.393 -8.921) 12.796 13.612 ( 6.172 8.880 0.708) 10.837 13.896 ( 3.782 -3.580 -0.896) 5.284 13.983 ( 0.975 6.407 -2.209) 6.847 14.213 ( -2.431 -2.035 2.716) 4.175 14.337 ( 5.333 9.327 -2.617) 11.058 14.515 ( 1.143 2.336 -6.828) 7.306 14.566 ( 0.355 2.512 -4.177) 4.887 14.672 ( 2.063 1.507 -4.571) 5.236 15.028 ( 1.921 4.455 14.836) 15.609 15.292 ( -0.525 -1.487 6.602) 6.788 15.341 ( 1.750 -9.021 2.544) 9.535 15.664 ( -0.377 -13.944 15.352) 20.742 18.525 ( 4.679 10.781 5.842) 13.125 19.055 ( 7.829 -15.795 5.748) 18.542 19.449 ( -0.395 2.294 -2.309) 3.278 19.617 ( -1.256 -4.896 -1.649) 5.316 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 10.990 9.329 13.405) 19.685 1.893 ( 7.781 16.352 9.263) 20.340 2.318 ( -4.191 -11.653 -1.046) 12.428 2.561 ( -4.379 -8.738 7.362) 12.236 2.834 ( -0.273 -6.395 -3.076) 7.102 2.841 ( 8.170 -1.661 -4.257) 9.361 3.080 ( -2.286 -6.278 -2.459) 7.119 3.211 ( -4.739 -4.723 -5.986) 8.977 3.593 ( 0.934 13.242 -3.478) 13.723 3.711 ( -1.236 8.397 -2.845) 8.951 3.795 ( -3.372 7.225 -6.620) 10.363 4.088 ( -10.583 -8.387 -1.710) 13.611 5.206 ( 9.578 6.764 5.711) 13.043 5.249 ( 15.808 12.176 0.889) 19.973 5.521 ( 5.473 8.793 5.621) 11.784 5.802 ( 9.594 5.189 4.138) 11.666 6.352 ( 9.780 -2.300 3.477) 10.631 6.527 ( -1.850 -7.842 -2.973) 8.588 6.723 ( 15.215 3.549 -6.549) 16.940 7.194 ( 9.612 -13.360 -8.940) 18.730 7.411 ( -7.184 24.106 1.567) 25.203 7.735 ( 5.601 1.052 5.610) 7.997 8.008 ( 3.681 -0.341 0.514) 3.732 8.232 ( -9.990 1.625 0.654) 10.143 8.378 ( -7.887 -0.049 -2.719) 8.342 8.656 ( -2.926 -5.312 -7.917) 9.973 8.778 ( -2.476 4.415 9.015) 10.338 9.051 ( 0.605 -4.948 7.674) 9.151 9.575 ( 0.539 6.811 -8.692) 11.056 9.665 ( -2.640 -3.404 -8.540) 9.565 9.887 ( 4.087 6.372 5.749) 9.506 10.139 ( -0.795 3.910 -6.702) 7.800 10.375 ( 10.434 -8.620 2.731) 13.807 10.468 ( -2.613 -7.921 -7.169) 10.998 10.572 ( 0.377 5.145 9.991) 11.245 10.932 ( 0.045 -12.358 5.211) 13.412 11.262 ( -1.203 9.685 -2.395) 10.049 11.429 ( -3.403 5.280 3.294) 7.092 11.646 ( 1.787 -0.959 -2.750) 3.417 11.871 ( -0.176 -6.988 -2.806) 7.532 12.456 ( -6.207 2.367 -4.229) 7.875 12.664 ( -10.105 0.527 -7.486) 12.587 12.851 ( -10.362 -5.986 -2.071) 12.145 12.889 ( -14.413 -3.806 -8.728) 17.275 13.743 ( 7.113 7.233 -0.004) 10.145 13.947 ( 1.651 2.149 -1.955) 3.342 14.032 ( 3.577 -0.269 0.427) 3.612 14.175 ( -1.601 -2.018 2.048) 3.291 14.448 ( 4.541 5.691 -8.027) 10.838 14.539 ( 0.994 0.779 -8.008) 8.107 14.588 ( 2.118 5.423 -5.271) 7.853 14.688 ( -0.413 2.650 -3.080) 4.084 15.080 ( 3.659 2.294 11.919) 12.678 15.287 ( 0.733 2.274 11.317) 11.566 15.387 ( 2.850 -11.487 2.498) 12.096 15.670 ( 0.376 -11.338 12.900) 17.179 18.662 ( 9.253 9.313 4.378) 13.839 19.199 ( 6.184 -16.378 0.837) 17.527 19.438 ( -0.713 1.160 -4.005) 4.231 19.574 ( -3.343 -4.260 -3.033) 6.206 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 3.895 6.600 11.379) 13.719 2.123 ( 13.377 -1.280 5.383) 14.476 2.222 ( -5.674 -6.694 -0.317) 8.780 2.502 ( -1.395 -10.815 7.055) 12.988 2.836 ( 1.511 -2.669 -2.175) 3.760 2.910 ( 0.126 1.310 -6.957) 7.081 3.059 ( -0.733 -9.790 0.603) 9.836 3.129 ( -3.710 -4.016 -5.890) 8.037 3.559 ( -3.358 8.384 -4.133) 9.932 3.633 ( -5.033 4.135 -4.450) 7.889 3.753 ( -3.774 2.310 -0.301) 4.435 3.882 ( -9.508 -4.455 0.459) 10.510 5.399 ( 10.235 15.192 2.712) 18.518 5.540 ( 11.006 21.446 6.984) 25.096 5.731 ( 16.085 -4.730 1.343) 16.820 6.035 ( 11.491 4.122 -1.143) 12.261 6.468 ( 1.366 -0.152 -6.980) 7.114 6.643 ( 17.392 -0.378 4.982) 18.095 7.037 ( 12.872 1.838 -8.414) 15.487 7.212 ( -8.192 14.492 1.996) 16.767 7.404 ( 10.249 -6.850 -8.389) 14.911 7.735 ( -7.297 -3.672 3.203) 8.774 8.069 ( 0.667 3.885 -8.360) 9.242 8.121 ( -7.397 10.454 0.420) 12.813 8.253 ( 2.024 -1.046 -1.332) 2.639 8.545 ( -6.749 -5.197 -9.368) 12.662 8.741 ( -2.423 1.298 1.874) 3.327 8.990 ( -6.333 -6.136 7.550) 11.608 9.492 ( -4.054 8.616 -13.181) 16.261 9.716 ( 2.649 0.213 -4.305) 5.060 9.875 ( -3.417 5.333 -1.396) 6.485 10.141 ( 2.133 7.270 5.018) 9.088 10.359 ( -3.824 -8.525 -6.262) 11.247 10.526 ( -5.041 3.830 12.140) 13.692 10.684 ( 13.723 -12.211 2.214) 18.503 10.924 ( -0.642 -15.017 6.689) 16.452 11.285 ( 3.842 12.907 0.714) 13.486 11.370 ( -1.719 8.276 4.308) 9.487 11.735 ( 6.801 0.167 -1.314) 6.929 11.906 ( 3.414 -7.312 -3.143) 8.660 12.343 ( -5.015 -0.020 -0.039) 5.015 12.432 ( -12.512 3.015 -4.262) 13.558 12.567 ( -16.374 -2.754 -6.929) 17.992 12.672 ( -10.107 -9.205 -2.057) 13.825 13.876 ( 6.408 5.839 -0.436) 8.681 13.982 ( 2.151 3.480 -1.949) 4.531 14.092 ( 2.275 -1.949 0.761) 3.091 14.146 ( -1.467 -1.289 1.250) 2.319 14.489 ( 0.578 2.546 -6.914) 7.391 14.549 ( -0.249 1.205 -6.290) 6.410 14.617 ( 0.173 2.657 -8.424) 8.835 14.673 ( -0.897 1.038 -6.677) 6.816 15.190 ( 8.022 1.119 9.096) 12.179 15.334 ( 3.772 3.303 11.890) 12.904 15.435 ( 1.659 -8.356 3.638) 9.264 15.651 ( -2.805 -9.041 11.438) 14.847 18.871 ( 12.013 6.463 1.698) 13.746 19.290 ( 3.494 -12.149 -3.141) 13.026 19.420 ( -1.265 -1.168 -5.360) 5.630 19.481 ( -6.425 -2.866 -3.910) 8.049 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 3.761 1.479 5.890) 7.143 2.104 ( -5.723 -2.411 2.273) 6.613 2.356 ( 9.587 -9.579 4.755) 14.362 2.475 ( -2.839 -13.532 5.662) 14.941 2.886 ( 2.952 -0.032 -3.014) 4.219 2.912 ( 0.240 3.276 -3.425) 4.745 3.035 ( -1.026 -4.966 -2.189) 5.523 3.059 ( -3.359 -2.566 -4.822) 6.413 3.514 ( -0.787 4.001 -3.384) 5.299 3.545 ( -3.826 1.980 -2.937) 5.214 3.677 ( -0.836 -2.342 2.089) 3.248 3.739 ( -5.848 -3.497 2.544) 7.273 5.576 ( 7.227 18.577 3.186) 20.186 5.648 ( 0.463 20.340 5.860) 21.172 6.025 ( 11.924 -7.117 0.219) 13.888 6.158 ( -0.717 -5.351 -1.290) 5.550 6.573 ( 12.078 11.758 -2.840) 17.094 6.875 ( -16.209 14.508 0.944) 21.774 7.079 ( 23.350 -1.113 -3.755) 23.676 7.344 ( 5.546 -4.437 -6.638) 9.721 7.536 ( -3.766 1.751 -3.147) 5.211 7.639 ( 4.316 2.350 -9.645) 10.824 7.850 ( -9.529 3.026 -5.926) 11.622 7.999 ( -10.871 3.807 -9.160) 14.717 8.386 ( 7.417 4.829 -6.870) 11.204 8.488 ( -1.418 -0.429 -4.529) 4.765 8.702 ( 1.697 -4.768 -4.013) 6.459 8.835 ( -9.021 -6.534 4.159) 11.890 9.494 ( 4.203 11.981 -3.746) 13.238 9.626 ( -8.372 11.670 0.094) 14.363 9.945 ( 8.562 -6.356 -4.131) 11.435 10.118 ( -6.937 -7.548 2.779) 10.621 10.328 ( 2.534 4.259 4.189) 6.489 10.417 ( -5.470 3.240 10.895) 12.614 10.870 ( 5.138 -15.582 4.203) 16.937 10.915 ( -0.599 -16.372 6.087) 17.477 11.366 ( 3.071 15.039 2.729) 15.590 11.380 ( 1.771 15.784 5.156) 16.699 11.887 ( 8.190 -0.864 -2.402) 8.578 11.972 ( 1.812 -7.582 -4.688) 9.097 12.199 ( -6.843 4.163 -4.802) 9.339 12.275 ( -11.500 -2.702 -4.213) 12.542 12.343 ( 2.714 -4.562 1.246) 5.453 12.478 ( -9.479 -8.709 1.169) 12.926 13.980 ( 4.090 4.495 -1.299) 6.214 14.017 ( 0.631 3.255 -2.113) 3.932 14.113 ( 0.048 -1.202 0.653) 1.369 14.120 ( -0.922 -1.008 1.016) 1.703 14.500 ( 0.910 2.509 -4.618) 5.334 14.527 ( -1.698 2.610 -3.484) 4.673 14.621 ( 0.747 -0.777 -10.202) 10.259 14.646 ( -1.677 -0.991 -10.098) 10.284 15.364 ( 8.153 -0.500 7.211) 10.896 15.416 ( 4.945 -0.450 8.600) 9.930 15.441 ( -1.056 -3.576 6.803) 7.758 15.555 ( -6.990 -5.704 10.135) 13.568 19.108 ( 12.092 2.894 -1.315) 12.502 19.321 ( -9.100 -0.801 -3.704) 9.858 19.347 ( 1.775 -7.053 -5.202) 8.942 19.389 ( -1.958 -4.007 -5.931) 7.421 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.000 -16.330 1.343) 16.385 2.021 ( 0.000 16.330 1.343) 16.385 2.351 ( 0.000 -20.519 9.011) 22.410 2.351 ( 0.000 20.519 9.011) 22.410 2.581 ( 0.000 -0.331 -0.617) 0.700 2.581 ( 0.000 0.331 -0.617) 0.700 3.247 ( 0.000 -2.645 -7.305) 7.769 3.247 ( 0.000 2.645 -7.305) 7.769 3.805 ( 0.000 -10.537 -5.197) 11.749 3.805 ( 0.000 10.537 -5.197) 11.749 4.009 ( 0.000 -15.214 -3.296) 15.567 4.009 ( 0.000 15.214 -3.296) 15.567 4.989 ( 0.000 -0.822 11.906) 11.935 4.989 ( 0.000 0.822 11.906) 11.935 5.669 ( 0.000 -4.873 -1.334) 5.052 5.669 ( 0.000 4.873 -1.334) 5.052 6.370 ( 0.000 -12.204 -2.193) 12.400 6.370 ( 0.000 12.204 -2.193) 12.400 6.609 ( 0.000 -1.985 -3.313) 3.862 6.609 ( 0.000 1.985 -3.313) 3.862 7.711 ( 0.000 -9.109 4.466) 10.145 7.711 ( 0.000 9.109 4.466) 10.145 8.194 ( 0.000 -25.212 3.067) 25.398 8.194 ( 0.000 25.212 3.067) 25.398 8.661 ( 0.000 -8.034 -7.341) 10.883 8.661 ( 0.000 8.034 -7.341) 10.883 8.863 ( 0.000 -5.918 7.964) 9.922 8.863 ( 0.000 5.918 7.964) 9.922 9.535 ( 0.000 -7.294 -0.214) 7.297 9.535 ( 0.000 7.294 -0.214) 7.297 9.773 ( 0.000 -2.548 9.969) 10.289 9.773 ( 0.000 2.548 9.969) 10.289 10.561 ( 0.000 -1.335 -8.059) 8.168 10.561 ( 0.000 1.335 -8.059) 8.168 10.657 ( 0.000 -12.702 5.361) 13.787 10.657 ( 0.000 12.702 5.361) 13.787 11.510 ( 0.000 -10.469 -6.003) 12.068 11.510 ( 0.000 10.469 -6.003) 12.068 11.692 ( 0.000 -13.037 -0.087) 13.037 11.692 ( 0.000 13.037 -0.087) 13.037 12.689 ( 0.000 -2.561 -10.355) 10.667 12.689 ( 0.000 2.561 -10.355) 10.667 13.191 ( 0.000 -0.848 -8.268) 8.311 13.191 ( 0.000 0.848 -8.268) 8.311 13.732 ( 0.000 -7.532 0.934) 7.589 13.732 ( 0.000 7.532 0.934) 7.589 14.126 ( 0.000 -6.745 -1.049) 6.826 14.126 ( 0.000 6.745 -1.049) 6.826 14.536 ( 0.000 -10.269 -6.401) 12.100 14.536 ( 0.000 10.269 -6.401) 12.100 14.563 ( 0.000 -1.216 -6.286) 6.403 14.563 ( 0.000 1.216 -6.286) 6.403 15.136 ( 0.000 -6.275 8.794) 10.803 15.136 ( 0.000 6.275 8.794) 10.803 15.391 ( 0.000 -8.747 16.848) 18.983 15.391 ( 0.000 8.747 16.848) 18.983 18.717 ( 0.000 -11.225 5.235) 12.386 18.717 ( 0.000 11.225 5.235) 12.386 19.526 ( 0.000 -4.371 -1.317) 4.565 19.526 ( 0.000 4.371 -1.317) 4.565 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -0.117 -15.872 1.661) 15.959 2.014 ( -0.117 15.872 1.661) 15.959 2.341 ( -1.329 -19.643 12.175) 23.148 2.341 ( -1.329 19.643 12.175) 23.148 2.652 ( 6.020 -2.835 -3.170) 7.371 2.652 ( 6.020 2.835 -3.170) 7.371 3.197 ( -4.610 -4.533 -7.482) 9.889 3.197 ( -4.610 4.533 -7.482) 9.889 3.822 ( 1.216 -8.907 -6.150) 10.892 3.822 ( 1.216 8.907 -6.150) 10.892 3.986 ( -2.543 -13.257 -2.968) 13.821 3.986 ( -2.543 13.257 -2.968) 13.821 5.065 ( 7.739 -1.248 9.021) 11.951 5.065 ( 7.739 1.248 9.021) 11.951 5.688 ( 3.098 -7.480 2.120) 8.369 5.688 ( 3.098 7.480 2.120) 8.369 6.337 ( -1.463 -13.763 -0.317) 13.844 6.337 ( -1.463 13.763 -0.317) 13.844 6.709 ( 8.482 -12.435 -5.153) 15.909 6.709 ( 8.482 12.435 -5.153) 15.909 7.716 ( 0.465 -6.769 2.358) 7.183 7.716 ( 0.465 6.769 2.358) 7.183 8.179 ( -1.599 -21.525 3.863) 21.927 8.179 ( -1.599 21.525 3.863) 21.927 8.605 ( -5.457 -7.368 -6.712) 11.363 8.605 ( -5.457 7.368 -6.712) 11.363 8.880 ( 1.842 -6.039 8.983) 10.980 8.880 ( 1.842 6.039 8.983) 10.980 9.601 ( 3.463 -6.787 -2.135) 7.913 9.601 ( 3.463 6.787 -2.135) 7.913 9.851 ( 9.669 -4.878 6.229) 12.493 9.851 ( 9.669 4.878 6.229) 12.493 10.472 ( -7.834 -5.344 -8.377) 12.654 10.472 ( -7.834 5.344 -8.377) 12.654 10.687 ( 1.972 -9.659 6.560) 11.842 10.687 ( 1.972 9.659 6.560) 11.842 11.486 ( -2.233 -9.019 -6.112) 11.122 11.486 ( -2.233 9.019 -6.112) 11.122 11.690 ( -0.184 -11.370 2.032) 11.551 11.690 ( -0.184 11.370 2.032) 11.551 12.660 ( -3.033 -5.307 -9.743) 11.501 12.660 ( -3.033 5.307 -9.743) 11.501 13.078 ( -10.619 -2.038 -7.694) 13.271 13.078 ( -10.619 2.038 -7.694) 13.271 13.786 ( 4.743 -7.014 0.351) 8.474 13.786 ( 4.743 7.014 0.351) 8.474 14.115 ( -0.896 -5.927 0.013) 5.995 14.115 ( -0.896 5.927 0.013) 5.995 14.515 ( 0.054 -3.743 -7.710) 8.570 14.515 ( 0.054 3.743 -7.710) 8.570 14.640 ( 4.576 -4.388 -6.194) 8.864 14.640 ( 4.576 4.388 -6.194) 8.864 15.133 ( 0.186 -6.509 8.613) 10.798 15.133 ( 0.186 6.509 8.613) 10.798 15.401 ( 1.072 -9.699 16.318) 19.013 15.401 ( 1.072 9.699 16.318) 19.013 18.768 ( 4.947 -12.268 4.540) 13.985 18.768 ( 4.947 12.268 4.540) 13.985 19.518 ( -0.845 -4.201 -2.080) 4.763 19.518 ( -0.845 4.201 -2.080) 4.763 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 1.929 -10.220 2.701) 10.745 2.031 ( 1.929 10.220 2.701) 10.745 2.300 ( -2.676 -15.138 12.920) 20.081 2.300 ( -2.676 15.138 12.920) 20.081 2.760 ( 4.667 -1.493 -3.033) 5.763 2.760 ( 4.667 1.493 -3.033) 5.763 3.100 ( -4.746 -5.124 -7.027) 9.907 3.100 ( -4.746 5.124 -7.027) 9.907 3.808 ( -3.707 -4.050 -7.512) 9.304 3.808 ( -3.707 4.050 -7.512) 9.304 3.911 ( -5.031 -7.683 -1.807) 9.360 3.911 ( -5.031 7.683 -1.807) 9.360 5.284 ( 14.702 -2.725 4.347) 15.572 5.284 ( 14.702 2.725 4.347) 15.572 5.812 ( 8.899 -8.129 3.891) 12.665 5.812 ( 8.899 8.129 3.891) 12.665 6.366 ( 5.318 -5.162 1.049) 7.485 6.366 ( 5.318 5.162 1.049) 7.485 6.899 ( 11.049 -12.907 -5.967) 18.008 6.899 ( 11.049 12.907 -5.967) 18.008 7.708 ( -2.766 -4.947 0.874) 5.734 7.708 ( -2.766 4.947 0.874) 5.734 8.146 ( -0.668 -9.552 1.799) 9.743 8.146 ( -0.668 9.552 1.799) 9.743 8.486 ( -6.054 -9.475 -5.921) 12.708 8.486 ( -6.054 9.475 -5.921) 12.708 8.903 ( -0.667 -7.299 10.005) 12.403 8.903 ( -0.667 7.299 10.005) 12.403 9.619 ( -0.366 -1.259 -8.265) 8.369 9.619 ( -0.366 1.259 -8.265) 8.369 10.118 ( 14.721 -10.189 0.792) 17.921 10.118 ( 14.721 10.189 0.792) 17.921 10.302 ( -8.310 -5.569 -4.735) 11.068 10.302 ( -8.310 5.569 -4.735) 11.068 10.704 ( -0.853 -8.122 8.883) 12.066 10.704 ( -0.853 8.122 8.883) 12.066 11.449 ( -0.610 -6.372 -5.496) 8.436 11.449 ( -0.610 6.372 -5.496) 8.436 11.692 ( 0.764 -8.418 5.033) 9.837 11.692 ( 0.764 8.418 5.033) 9.837 12.570 ( -6.235 -7.285 -7.589) 12.229 12.570 ( -6.235 7.285 -7.589) 12.229 12.824 ( -14.762 -2.233 -7.038) 16.506 12.824 ( -14.762 2.233 -7.038) 16.506 13.889 ( 5.508 -5.875 -0.205) 8.056 13.889 ( 5.508 5.875 -0.205) 8.056 14.100 ( -0.474 -4.548 1.255) 4.741 14.100 ( -0.474 4.548 1.255) 4.741 14.529 ( 0.954 -2.060 -8.591) 8.886 14.529 ( 0.954 2.060 -8.591) 8.886 14.693 ( 0.349 -2.823 -6.228) 6.847 14.693 ( 0.349 2.823 -6.228) 6.847 15.168 ( 3.693 -7.576 7.283) 11.139 15.168 ( 3.693 7.576 7.283) 11.139 15.433 ( 1.981 -10.267 14.773) 18.099 15.433 ( 1.981 10.267 14.773) 18.099 18.892 ( 7.492 -12.667 2.544) 14.935 18.892 ( 7.492 12.667 2.544) 14.935 19.490 ( -2.159 -3.463 -3.744) 5.538 19.490 ( -2.159 3.463 -3.744) 5.538 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 3.130 -3.737 4.119) 6.382 2.083 ( 3.130 3.737 4.119) 6.382 2.245 ( -2.880 -10.321 10.011) 14.664 2.245 ( -2.880 10.321 10.011) 14.664 2.839 ( 3.903 -4.215 -1.540) 5.947 2.839 ( 3.903 4.215 -1.540) 5.947 3.030 ( -2.469 -4.702 -5.310) 7.510 3.030 ( -2.469 4.702 -5.310) 7.510 3.693 ( -6.772 -1.455 -6.098) 9.228 3.693 ( -6.772 1.455 -6.098) 9.228 3.791 ( -7.215 -2.996 -0.852) 7.859 3.791 ( -7.215 2.996 -0.852) 7.859 5.593 ( 15.871 -6.662 2.889) 17.453 5.593 ( 15.871 6.662 2.889) 17.453 5.965 ( 5.323 -12.668 1.577) 13.831 5.965 ( 5.323 12.668 1.577) 13.831 6.558 ( 14.219 -7.429 -1.390) 16.102 6.558 ( 14.219 7.429 -1.390) 16.102 7.140 ( 13.288 -9.009 -7.864) 17.877 7.140 ( 13.288 9.009 -7.864) 17.877 7.574 ( -9.522 -11.103 4.137) 15.201 7.574 ( -9.522 11.103 4.137) 15.201 8.165 ( -1.009 -5.233 -8.606) 10.123 8.165 ( -1.009 5.233 -8.606) 10.123 8.392 ( -1.495 -11.134 -1.783) 11.375 8.392 ( -1.495 11.134 -1.783) 11.375 8.830 ( -6.585 -7.160 5.054) 10.962 8.830 ( -6.585 7.160 5.054) 10.962 9.632 ( 2.517 -5.742 -8.942) 10.921 9.632 ( 2.517 5.742 -8.942) 10.921 10.105 ( -9.172 -11.954 -3.170) 15.397 10.105 ( -9.172 11.954 -3.170) 15.397 10.403 ( 10.420 -13.030 4.103) 17.181 10.403 ( 10.420 13.030 4.103) 17.181 10.652 ( -3.810 -9.274 10.173) 14.283 10.652 ( -3.810 9.274 10.173) 14.283 11.495 ( 5.749 -3.912 -3.865) 7.956 11.495 ( 5.749 3.912 -3.865) 7.956 11.730 ( 3.043 -6.438 5.799) 9.183 11.730 ( 3.043 6.438 5.799) 9.183 12.424 ( -8.708 -5.759 -4.926) 11.544 12.424 ( -8.708 5.759 -4.926) 11.544 12.537 ( -14.082 -1.993 -5.975) 15.426 12.537 ( -14.082 1.993 -5.975) 15.426 13.987 ( 4.501 -3.895 -0.446) 5.968 13.987 ( 4.501 3.895 -0.446) 5.968 14.096 ( -0.062 -2.856 1.245) 3.116 14.096 ( -0.062 2.856 1.245) 3.116 14.544 ( 0.648 -1.972 -8.273) 8.530 14.544 ( 0.648 1.972 -8.273) 8.530 14.663 ( -2.828 -1.819 -5.740) 6.653 14.663 ( -2.828 1.819 -5.740) 6.653 15.267 ( 6.010 -6.324 5.805) 10.479 15.267 ( 6.010 6.324 5.805) 10.479 15.463 ( 0.765 -8.078 12.143) 14.605 15.463 ( 0.765 8.078 12.143) 14.605 19.045 ( 8.142 -10.158 -0.317) 13.022 19.045 ( 8.142 10.158 -0.317) 13.022 19.431 ( -4.049 -1.677 -5.003) 6.651 19.431 ( -4.049 1.677 -5.003) 6.651 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 2.789 -5.093 5.585) 8.056 2.141 ( 2.789 5.093 5.585) 8.056 2.192 ( -2.592 -6.952 7.020) 10.214 2.192 ( -2.592 6.952 7.020) 10.214 2.918 ( 4.206 -3.381 -2.059) 5.776 2.918 ( 4.206 3.381 -2.059) 5.776 2.987 ( -2.613 -3.176 -3.501) 5.401 2.987 ( -2.613 3.176 -3.501) 5.401 3.604 ( -1.236 -2.135 -3.145) 3.997 3.604 ( -1.236 2.135 -3.145) 3.997 3.656 ( -5.871 -3.596 -0.830) 6.935 3.656 ( -5.871 3.596 -0.830) 6.935 5.855 ( 10.576 -9.605 2.650) 14.530 5.855 ( 10.576 9.605 2.650) 14.530 5.988 ( -2.989 -11.540 2.056) 12.097 5.988 ( -2.989 11.540 2.056) 12.097 6.874 ( 17.332 -14.493 -4.120) 22.965 6.874 ( 17.332 14.493 -4.120) 22.965 7.183 ( -12.522 -11.607 -5.059) 17.808 7.183 ( -12.522 11.607 -5.059) 17.808 7.607 ( 16.623 -5.016 -4.139) 17.849 7.607 ( 16.623 5.016 -4.139) 17.849 7.966 ( -17.220 -6.289 -11.250) 21.509 7.966 ( -17.220 6.289 -11.250) 21.509 8.497 ( 9.310 -3.802 -1.226) 10.131 8.497 ( 9.310 3.802 -1.226) 10.131 8.677 ( -8.805 -5.835 0.086) 10.563 8.677 ( -8.805 5.835 0.086) 10.563 9.730 ( 7.651 -9.383 -3.217) 12.527 9.730 ( 7.651 9.383 -3.217) 12.527 9.912 ( -10.418 -10.776 -0.743) 15.007 9.912 ( -10.418 10.776 -0.743) 15.007 10.536 ( 3.886 -14.128 6.297) 15.948 10.536 ( 3.886 14.128 6.297) 15.948 10.589 ( -2.494 -12.399 8.922) 15.478 10.589 ( -2.494 12.399 8.922) 15.478 11.653 ( 9.255 -4.254 -1.433) 10.286 11.653 ( 9.255 4.254 -1.433) 10.286 11.770 ( -1.036 -4.883 3.173) 5.915 11.770 ( -1.036 4.883 3.173) 5.915 12.272 ( -4.448 -1.818 -4.007) 6.257 12.272 ( -4.448 1.818 -4.007) 6.257 12.317 ( -7.989 -5.553 -3.361) 10.293 12.317 ( -7.989 5.553 -3.361) 10.293 14.057 ( 2.654 -1.728 -0.289) 3.180 14.057 ( 2.654 1.728 -0.289) 3.180 14.090 ( -0.840 -1.085 0.469) 1.450 14.090 ( -0.840 1.085 0.469) 1.450 14.562 ( 1.477 -2.237 -7.228) 7.709 14.562 ( 1.477 2.237 -7.228) 7.709 14.604 ( -2.830 -2.134 -6.087) 7.044 14.604 ( -2.830 2.134 -6.087) 7.044 15.378 ( 5.055 -1.824 6.487) 8.424 15.378 ( 5.055 1.824 6.487) 8.424 15.450 ( -2.238 -3.576 9.009) 9.948 15.450 ( -2.238 3.576 9.009) 9.948 19.199 ( 7.608 -5.813 -3.121) 10.070 19.199 ( 7.608 5.813 -3.121) 10.070 19.333 ( -6.093 -1.497 -4.864) 7.939 19.333 ( -6.093 1.497 -4.864) 7.939 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 0.000 29.649) 29.649 1.385 ( 0.000 0.000 30.141) 30.141 2.515 ( 0.000 0.000 49.523) 49.523 2.666 ( 0.000 0.000 0.579) 0.579 2.909 ( 0.000 0.000 -19.854) 19.854 3.070 ( 0.000 0.000 3.899) 3.899 3.144 ( 0.000 0.000 -10.517) 10.517 3.212 ( 0.000 0.000 -15.545) 15.545 3.224 ( 0.000 0.000 -5.215) 5.215 3.392 ( 0.000 0.000 -6.767) 6.767 3.564 ( 0.000 0.000 -2.054) 2.054 4.301 ( 0.000 0.000 7.110) 7.110 4.621 ( 0.000 0.000 -4.818) 4.818 5.132 ( 0.000 0.000 12.550) 12.550 5.895 ( 0.000 0.000 -4.733) 4.733 5.916 ( 0.000 0.000 -7.661) 7.661 5.947 ( 0.000 0.000 16.391) 16.391 6.165 ( 0.000 0.000 4.465) 4.465 6.578 ( 0.000 0.000 -22.417) 22.417 6.729 ( 0.000 0.000 2.832) 2.832 7.236 ( 0.000 0.000 10.324) 10.324 8.007 ( 0.000 0.000 -20.674) 20.674 8.071 ( 0.000 0.000 27.384) 27.384 8.270 ( 0.000 0.000 -2.569) 2.569 8.504 ( 0.000 0.000 -12.799) 12.799 8.699 ( 0.000 0.000 2.878) 2.878 8.732 ( 0.000 0.000 -5.986) 5.986 8.753 ( 0.000 0.000 5.807) 5.807 9.904 ( 0.000 0.000 5.752) 5.752 9.922 ( 0.000 0.000 0.577) 0.577 10.157 ( 0.000 0.000 0.533) 0.533 10.166 ( 0.000 0.000 0.208) 0.208 10.232 ( 0.000 0.000 -16.220) 16.220 10.359 ( 0.000 0.000 15.786) 15.786 10.463 ( 0.000 0.000 8.488) 8.488 10.958 ( 0.000 0.000 -7.170) 7.170 11.006 ( 0.000 0.000 -1.606) 1.606 11.226 ( 0.000 0.000 6.601) 6.601 11.610 ( 0.000 0.000 -14.962) 14.962 11.852 ( 0.000 0.000 -10.671) 10.671 12.465 ( 0.000 0.000 -7.536) 7.536 12.852 ( 0.000 0.000 -7.939) 7.939 12.900 ( 0.000 0.000 -18.806) 18.806 13.155 ( 0.000 0.000 -5.074) 5.074 13.317 ( 0.000 0.000 4.740) 4.740 13.723 ( 0.000 0.000 -2.761) 2.761 14.102 ( 0.000 0.000 -0.939) 0.939 14.137 ( 0.000 0.000 -5.135) 5.135 14.248 ( 0.000 0.000 3.480) 3.480 14.420 ( 0.000 0.000 -7.791) 7.791 14.426 ( 0.000 0.000 -0.977) 0.977 14.516 ( 0.000 0.000 -1.414) 1.414 15.195 ( 0.000 0.000 14.585) 14.585 15.295 ( 0.000 0.000 17.488) 17.488 15.614 ( 0.000 0.000 3.332) 3.332 16.286 ( 0.000 0.000 6.930) 6.930 18.474 ( 0.000 0.000 17.387) 17.387 19.372 ( 0.000 0.000 -1.890) 1.890 19.679 ( 0.000 0.000 -4.782) 4.782 19.733 ( 0.000 0.000 -2.441) 2.441 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 13.376 0.000 24.572) 27.977 1.526 ( 13.478 0.000 24.713) 28.149 2.644 ( -2.743 0.000 -1.956) 3.368 2.697 ( 14.828 0.000 31.251) 34.590 2.929 ( 3.820 0.000 -8.141) 8.992 3.003 ( -4.754 0.000 0.876) 4.834 3.113 ( -2.745 0.000 -9.232) 9.632 3.167 ( -4.842 0.000 -12.124) 13.055 3.275 ( -3.978 0.000 -0.160) 3.981 3.345 ( 4.016 0.000 -5.607) 6.897 3.565 ( 0.983 0.000 -3.874) 3.997 4.373 ( 7.020 0.000 6.361) 9.473 4.545 ( -7.617 0.000 -4.004) 8.605 5.158 ( 2.388 0.000 12.208) 12.439 5.690 ( -9.824 0.000 7.978) 12.656 5.741 ( -6.076 0.000 4.153) 7.360 6.191 ( 13.591 0.000 1.978) 13.734 6.359 ( 7.756 0.000 -14.399) 16.355 6.652 ( 9.201 0.000 -12.792) 15.757 6.726 ( -0.253 0.000 2.620) 2.633 7.278 ( 2.861 0.000 9.649) 10.064 7.948 ( -7.697 0.000 4.172) 8.755 8.007 ( -2.596 0.000 -5.508) 6.089 8.259 ( -3.022 0.000 -4.362) 5.307 8.524 ( 1.983 0.000 -12.037) 12.199 8.634 ( -7.650 0.000 7.798) 10.924 8.743 ( -1.134 0.000 -6.666) 6.762 8.820 ( 7.639 0.000 9.380) 12.097 9.659 ( -10.872 0.000 12.158) 16.310 9.665 ( -14.994 0.000 -9.468) 17.734 10.051 ( -13.459 0.000 -4.426) 14.168 10.285 ( -1.099 0.000 1.839) 2.142 10.358 ( 1.858 0.000 -9.043) 9.232 10.401 ( 14.599 0.000 5.371) 15.556 10.684 ( 16.447 0.000 8.679) 18.596 10.846 ( -5.654 0.000 -1.146) 5.769 11.022 ( 0.070 0.000 1.443) 1.444 11.362 ( 10.072 0.000 2.731) 10.435 11.569 ( -4.320 0.000 -12.578) 13.299 11.817 ( -0.600 0.000 -7.210) 7.235 12.478 ( -0.057 0.000 -6.837) 6.838 12.752 ( -8.893 0.000 -5.313) 10.359 12.900 ( -0.397 0.000 -18.514) 18.518 13.111 ( -4.898 0.000 -5.790) 7.584 13.396 ( 6.685 0.000 1.791) 6.921 13.725 ( 0.352 0.000 -3.080) 3.100 14.030 ( -5.096 0.000 -1.507) 5.314 14.106 ( 0.534 0.000 -0.740) 0.913 14.235 ( -1.315 0.000 2.207) 2.569 14.428 ( 0.750 0.000 -6.251) 6.295 14.481 ( 2.614 0.000 -0.634) 2.690 14.517 ( 0.061 0.000 -1.393) 1.394 15.265 ( 3.413 0.000 16.664) 17.010 15.331 ( 4.688 0.000 7.788) 9.090 15.668 ( 4.325 0.000 3.614) 5.636 16.228 ( -4.155 0.000 9.432) 10.306 18.520 ( 4.744 0.000 16.010) 16.698 19.336 ( -3.425 0.000 -3.273) 4.738 19.698 ( 0.748 0.000 -6.996) 7.036 19.705 ( -2.887 0.000 -3.052) 4.201 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 16.329 0.000 16.830) 23.449 1.839 ( 16.915 0.000 13.007) 21.338 2.542 ( -7.730 0.000 -7.020) 10.442 2.779 ( -3.256 0.000 -11.424) 11.879 2.913 ( -4.684 0.000 -2.570) 5.342 2.999 ( -9.260 0.000 -7.981) 12.225 3.098 ( -0.713 0.000 -1.931) 2.058 3.136 ( -2.253 0.000 7.879) 8.195 3.208 ( 11.404 0.000 8.247) 14.073 3.520 ( 9.689 0.000 -2.354) 9.971 3.649 ( 11.576 0.000 3.142) 11.995 4.352 ( -11.226 0.000 -0.800) 11.255 4.542 ( 9.656 0.000 5.168) 10.952 5.204 ( 1.616 0.000 10.763) 10.884 5.618 ( 2.539 0.000 6.268) 6.763 5.723 ( 4.610 0.000 2.846) 5.417 6.437 ( 2.746 0.000 -15.792) 16.029 6.441 ( 12.087 0.000 -3.068) 12.470 6.722 ( -0.160 0.000 2.497) 2.502 6.877 ( 11.428 0.000 1.206) 11.491 7.298 ( -0.549 0.000 0.989) 1.131 7.777 ( -9.890 0.000 1.298) 9.975 7.957 ( -2.616 0.000 -9.118) 9.486 8.130 ( -8.549 0.000 -2.503) 8.907 8.424 ( -15.244 0.000 -0.353) 15.248 8.575 ( 3.176 0.000 -9.270) 9.799 8.770 ( -14.272 0.000 -6.864) 15.837 8.785 ( 5.529 0.000 -3.326) 6.452 9.548 ( -4.786 0.000 9.833) 10.935 9.583 ( 8.270 0.000 -0.379) 8.279 9.823 ( -6.091 0.000 -5.332) 8.095 10.101 ( -15.985 0.000 3.074) 16.278 10.408 ( 2.781 0.000 -12.611) 12.914 10.593 ( 2.733 0.000 4.858) 5.574 10.855 ( 8.484 0.000 4.462) 9.586 10.978 ( 13.369 0.000 2.974) 13.696 11.024 ( 0.557 0.000 5.559) 5.586 11.508 ( -0.983 0.000 -1.764) 2.019 11.536 ( 7.406 0.000 4.144) 8.487 11.840 ( 1.865 0.000 -7.402) 7.633 12.446 ( -2.948 0.000 -4.981) 5.788 12.550 ( -11.451 0.000 -2.406) 11.701 12.830 ( -8.328 0.000 -11.394) 14.113 12.991 ( -5.696 0.000 -8.166) 9.956 13.527 ( 6.167 0.000 -2.429) 6.628 13.744 ( 1.762 0.000 -3.775) 4.166 14.036 ( 5.073 0.000 -4.072) 6.505 14.124 ( 1.241 0.000 -0.388) 1.300 14.198 ( -2.409 0.000 0.059) 2.410 14.445 ( 0.923 0.000 -3.060) 3.196 14.512 ( 0.845 0.000 -0.579) 1.024 14.514 ( -0.495 0.000 -1.087) 1.195 15.309 ( 1.987 0.000 12.225) 12.385 15.412 ( 2.593 0.000 3.781) 4.585 15.732 ( 2.202 0.000 5.493) 5.918 16.188 ( -0.146 0.000 12.707) 12.708 18.652 ( 8.763 0.000 12.091) 14.933 19.258 ( -3.967 0.000 -7.126) 8.156 19.622 ( -5.746 0.000 -4.304) 7.179 19.667 ( -4.238 0.000 -9.195) 10.125 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 7.423 0.000 -2.083) 7.710 2.122 ( 16.468 0.000 10.377) 19.465 2.371 ( -9.130 0.000 -9.253) 13.000 2.724 ( -1.153 0.000 -9.873) 9.941 2.812 ( -5.985 0.000 -0.412) 5.999 2.864 ( -2.031 0.000 1.048) 2.286 3.034 ( -6.724 0.000 -7.086) 9.769 3.096 ( -0.427 0.000 1.498) 1.558 3.354 ( 4.125 0.000 4.333) 5.983 3.610 ( 0.338 0.000 -7.347) 7.354 3.986 ( 14.758 0.000 14.194) 20.476 4.189 ( -2.824 0.000 5.683) 6.346 4.725 ( 9.153 0.000 5.121) 10.488 5.187 ( -3.818 0.000 8.775) 9.570 5.794 ( 15.754 0.000 -1.326) 15.810 5.921 ( 15.276 0.000 1.611) 15.361 6.493 ( 2.459 0.000 -8.365) 8.719 6.637 ( 4.950 0.000 -1.829) 5.277 6.729 ( 3.607 0.000 -2.854) 4.599 7.010 ( 1.545 0.000 15.631) 15.707 7.355 ( 8.833 0.000 -16.788) 18.970 7.532 ( -16.018 0.000 -4.242) 16.570 7.919 ( -17.617 0.000 -5.402) 18.426 7.930 ( 0.578 0.000 -9.184) 9.203 8.088 ( -14.761 0.000 -6.734) 16.224 8.430 ( -17.350 0.000 -23.633) 29.318 8.650 ( 5.092 0.000 -4.439) 6.755 8.913 ( 6.881 0.000 0.731) 6.920 9.372 ( -11.250 0.000 6.664) 13.076 9.706 ( -17.561 0.000 -0.950) 17.586 9.850 ( 16.366 0.000 9.735) 19.043 9.938 ( 9.327 0.000 -4.844) 10.510 10.438 ( -0.391 0.000 -12.081) 12.088 10.558 ( -4.956 0.000 3.231) 5.916 11.056 ( 3.669 0.000 12.135) 12.677 11.069 ( 9.510 0.000 6.307) 11.411 11.204 ( 10.156 0.000 3.021) 10.596 11.508 ( -0.050 0.000 4.854) 4.854 11.659 ( 6.245 0.000 5.304) 8.194 11.878 ( 2.415 0.000 -7.986) 8.343 12.317 ( -12.636 0.000 -0.211) 12.638 12.348 ( -8.511 0.000 -6.014) 10.421 12.661 ( -5.218 0.000 -1.781) 5.514 12.891 ( -5.432 0.000 -6.256) 8.285 13.628 ( 4.508 0.000 -6.630) 8.017 13.786 ( 1.850 0.000 -5.422) 5.729 14.134 ( -0.845 0.000 -1.242) 1.502 14.167 ( 0.085 0.000 0.825) 0.829 14.169 ( 7.494 0.000 -8.251) 11.146 14.459 ( 0.430 0.000 -0.345) 0.551 14.498 ( -1.054 0.000 -0.202) 1.073 14.504 ( -2.096 0.000 -3.222) 3.844 15.353 ( 3.027 0.000 2.784) 4.113 15.457 ( 2.417 0.000 2.272) 3.317 15.777 ( 3.168 0.000 12.392) 12.791 16.169 ( -3.111 0.000 15.907) 16.208 18.849 ( 11.299 0.000 6.496) 13.033 19.209 ( -0.515 0.000 -11.487) 11.498 19.484 ( -8.477 0.000 -4.803) 9.743 19.544 ( -8.001 0.000 -11.085) 13.670 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 1.127 0.000 -10.700) 10.759 2.215 ( -6.302 0.000 -10.773) 12.481 2.427 ( 14.622 0.000 6.419) 15.969 2.664 ( -9.442 0.000 3.240) 9.983 2.756 ( 3.987 0.000 -9.462) 10.268 2.880 ( -8.282 0.000 -10.082) 13.048 2.936 ( 7.091 0.000 5.468) 8.954 3.055 ( -4.261 0.000 3.662) 5.618 3.433 ( 4.781 0.000 -0.918) 4.869 3.542 ( -5.917 0.000 -5.450) 8.044 4.143 ( 5.618 0.000 12.474) 13.681 4.214 ( -0.206 0.000 11.517) 11.519 4.899 ( 8.994 0.000 5.954) 10.786 5.067 ( -7.981 0.000 7.130) 10.702 6.180 ( 21.038 0.000 -4.014) 21.418 6.263 ( 18.403 0.000 3.770) 18.785 6.469 ( -7.203 0.000 -1.565) 7.371 6.557 ( -10.500 0.000 6.170) 12.178 6.911 ( 12.049 0.000 -13.247) 17.907 7.071 ( 9.010 0.000 0.667) 9.035 7.192 ( -17.259 0.000 -11.618) 20.805 7.397 ( -19.905 0.000 -7.666) 21.330 7.653 ( 8.617 0.000 -14.417) 16.796 7.872 ( -10.852 0.000 -7.045) 12.938 7.991 ( 5.719 0.000 -14.600) 15.680 8.153 ( -11.232 0.000 -21.848) 24.567 8.792 ( 9.805 0.000 1.181) 9.876 8.977 ( -4.832 0.000 4.471) 6.583 9.222 ( 0.814 0.000 2.400) 2.535 9.388 ( -13.506 0.000 1.095) 13.551 10.160 ( 15.006 0.000 8.851) 17.422 10.173 ( 12.428 0.000 -9.288) 15.515 10.369 ( -7.098 0.000 -11.173) 13.237 10.409 ( -10.471 0.000 4.950) 11.582 11.132 ( 4.101 0.000 13.022) 13.653 11.177 ( 0.743 0.000 11.935) 11.958 11.373 ( 7.302 0.000 4.812) 8.745 11.478 ( -3.438 0.000 6.072) 6.978 11.822 ( 11.084 0.000 3.281) 11.560 11.957 ( 6.428 0.000 -7.630) 9.977 12.065 ( -13.285 0.000 1.543) 13.374 12.134 ( -11.491 0.000 -7.072) 13.493 12.667 ( 4.240 0.000 1.240) 4.418 12.776 ( -6.276 0.000 -1.446) 6.440 13.712 ( 4.334 0.000 -9.027) 10.014 13.783 ( -2.370 0.000 -8.588) 8.909 14.135 ( 1.347 0.000 0.379) 1.399 14.164 ( -1.003 0.000 0.942) 1.376 14.306 ( 6.705 0.000 -8.864) 11.115 14.427 ( -5.542 0.000 -6.642) 8.650 14.465 ( 0.402 0.000 1.002) 1.079 14.478 ( -0.931 0.000 0.887) 1.286 15.427 ( 4.056 0.000 -2.644) 4.842 15.480 ( -0.782 0.000 -3.161) 3.257 15.882 ( 7.942 0.000 19.514) 21.069 16.053 ( -8.443 0.000 18.992) 20.784 19.076 ( 11.898 0.000 0.828) 11.926 19.251 ( 4.791 0.000 -13.705) 14.518 19.297 ( -10.741 0.000 -3.224) 11.214 19.382 ( -8.210 0.000 -13.081) 15.444 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 15.491 23.811) 28.407 1.557 ( 0.000 13.009 24.912) 28.104 2.612 ( 0.000 -6.416 -0.375) 6.427 2.628 ( 0.000 6.686 35.279) 35.907 2.841 ( 0.000 -7.425 -13.581) 15.478 2.947 ( 0.000 -0.943 -1.745) 1.984 3.009 ( 0.000 -5.628 -7.223) 9.156 3.283 ( 0.000 -3.201 -8.517) 9.098 3.410 ( 0.000 5.845 -2.617) 6.404 3.411 ( 0.000 10.640 -14.787) 18.217 3.497 ( 0.000 -3.846 -0.808) 3.930 4.490 ( 0.000 -10.714 -5.467) 12.028 4.546 ( 0.000 20.328 2.236) 20.450 5.238 ( 0.000 7.673 17.289) 18.915 5.797 ( 0.000 -5.147 -5.943) 7.862 5.819 ( 0.000 -9.469 9.183) 13.190 6.004 ( 0.000 4.625 -8.754) 9.901 6.172 ( 0.000 2.137 17.898) 18.025 6.554 ( 0.000 -1.689 -20.465) 20.534 6.963 ( 0.000 20.147 2.793) 20.339 7.204 ( 0.000 -2.221 11.025) 11.247 7.972 ( 0.000 -7.787 21.747) 23.099 7.979 ( 0.000 -4.946 -19.496) 20.113 8.314 ( 0.000 3.647 -2.613) 4.487 8.545 ( 0.000 2.781 -11.966) 12.284 8.724 ( 0.000 1.089 -6.530) 6.621 8.802 ( 0.000 6.896 4.696) 8.343 8.831 ( 0.000 6.328 8.431) 10.541 9.662 ( 0.000 -13.336 6.901) 15.015 9.889 ( 0.000 -3.805 -0.389) 3.824 10.128 ( 0.000 -4.758 6.664) 8.188 10.219 ( 0.000 1.424 -18.905) 18.958 10.266 ( 0.000 -4.966 9.436) 10.663 10.327 ( 0.000 3.821 1.891) 4.263 10.464 ( 0.000 1.383 6.024) 6.181 11.023 ( 0.000 2.415 -5.211) 5.743 11.071 ( 0.000 5.466 -2.271) 5.919 11.301 ( 0.000 6.863 7.038) 9.830 11.638 ( 0.000 3.369 -17.089) 17.418 11.767 ( 0.000 -7.498 -9.789) 12.331 12.456 ( 0.000 -0.529 -7.589) 7.607 12.762 ( 0.000 -7.911 -7.202) 10.698 12.895 ( 0.000 -0.332 -18.768) 18.771 13.144 ( 0.000 -1.279 -4.637) 4.810 13.403 ( 0.000 7.600 4.198) 8.683 13.761 ( 0.000 3.838 -2.747) 4.720 13.988 ( 0.000 -5.905 1.545) 6.104 14.185 ( 0.000 3.944 -0.755) 4.016 14.346 ( 0.000 5.401 -0.539) 5.428 14.349 ( 0.000 -4.872 -3.637) 6.080 14.451 ( 0.000 1.201 -4.113) 4.285 14.539 ( 0.000 1.263 -2.489) 2.791 15.218 ( 0.000 1.478 11.314) 11.410 15.366 ( 0.000 6.391 16.137) 17.356 15.547 ( 0.000 -6.034 3.500) 6.975 16.207 ( 0.000 -7.196 9.600) 11.998 18.523 ( 0.000 4.539 15.105) 15.772 19.378 ( 0.000 0.697 -2.206) 2.313 19.469 ( 0.000 -16.481 1.586) 16.557 19.691 ( 0.000 -3.794 -2.649) 4.627 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 10.669 12.016 21.397) 26.759 1.695 ( 12.465 12.907 20.679) 27.379 2.585 ( -3.088 -6.444 -1.492) 7.300 2.707 ( 5.246 -0.259 17.090) 17.879 2.818 ( -2.725 -8.428 -7.411) 11.549 2.929 ( -0.798 -2.619 -1.764) 3.257 3.046 ( 4.768 -0.735 -3.285) 5.837 3.299 ( -1.765 -3.628 -6.289) 7.472 3.357 ( -4.759 8.607 -6.460) 11.767 3.412 ( 3.664 8.012 -2.691) 9.212 3.508 ( 1.469 -0.747 -4.607) 4.893 4.411 ( -7.037 -9.301 -4.176) 12.388 4.615 ( 6.314 19.044 2.389) 20.205 5.268 ( 3.033 7.706 16.708) 18.648 5.643 ( -7.205 -3.618 8.719) 11.875 5.745 ( -4.248 0.734 1.537) 4.577 6.152 ( 8.905 -2.396 -10.037) 13.630 6.356 ( 12.652 0.091 5.369) 13.744 6.596 ( 5.468 -3.243 -13.185) 14.637 6.962 ( -0.306 20.616 2.002) 20.715 7.214 ( 0.316 -5.037 8.558) 9.935 7.916 ( -2.648 -2.980 3.745) 5.470 7.992 ( -0.908 -4.239 -2.363) 4.937 8.288 ( -3.886 2.736 -3.129) 5.690 8.530 ( -0.972 -0.045 -11.670) 11.710 8.642 ( -9.267 1.522 3.124) 9.897 8.744 ( 2.954 3.443 -5.185) 6.889 8.994 ( 5.350 10.468 9.170) 14.910 9.573 ( -5.126 -5.604 8.833) 11.649 9.692 ( -14.074 1.151 -8.506) 16.485 10.021 ( -13.145 -3.189 -2.955) 13.846 10.133 ( 3.147 -8.354 1.658) 9.080 10.328 ( 1.996 -1.995 -8.559) 9.012 10.534 ( 8.271 6.396 7.344) 12.777 10.551 ( 9.255 -6.948 8.000) 14.069 10.988 ( 0.026 5.996 -2.267) 6.411 11.087 ( 0.856 4.810 -0.290) 4.894 11.409 ( 8.409 4.293 4.232) 10.346 11.570 ( -6.886 1.073 -12.713) 14.498 11.759 ( 1.363 -4.621 -8.095) 9.420 12.452 ( -0.980 -2.100 -6.438) 6.843 12.703 ( -6.176 -4.511 -6.699) 10.166 12.864 ( -2.704 -3.040 -18.002) 18.456 13.079 ( -6.667 -2.970 -5.093) 8.900 13.471 ( 5.817 6.666 1.976) 9.065 13.773 ( 0.950 4.397 -3.601) 5.762 13.975 ( 0.211 -2.799 1.463) 3.165 14.175 ( -0.564 4.754 -1.978) 5.180 14.258 ( -3.045 0.718 0.167) 3.133 14.422 ( 1.945 -0.637 -3.012) 3.642 14.460 ( 0.755 0.274 -2.820) 2.932 14.561 ( 1.584 2.371 -2.145) 3.568 15.265 ( 3.176 -0.275 12.242) 12.651 15.377 ( 1.622 4.311 9.976) 10.988 15.600 ( 4.323 -5.861 5.077) 8.878 16.159 ( -3.452 -6.280 11.131) 13.238 18.564 ( 4.228 4.104 13.976) 15.168 19.341 ( -3.414 0.326 -3.278) 4.744 19.509 ( 2.618 -15.083 -1.935) 15.430 19.664 ( -2.826 -3.760 -3.269) 5.728 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 11.323 8.323 15.139) 20.656 1.986 ( 16.637 8.814 14.106) 23.526 2.483 ( -7.140 -5.481 -3.234) 9.564 2.719 ( -3.879 -7.616 -2.591) 8.931 2.759 ( -2.278 -2.836 -8.281) 9.045 2.924 ( 0.074 -7.580 0.128) 7.581 3.095 ( -3.631 -0.090 -7.111) 7.985 3.225 ( -5.238 2.412 -2.784) 6.404 3.348 ( 4.367 8.246 3.579) 9.994 3.511 ( 4.027 -1.970 -5.721) 7.269 3.625 ( 13.194 2.229 6.163) 14.732 4.232 ( -10.692 -9.128 -2.017) 14.202 4.779 ( 9.957 20.347 3.765) 22.963 5.353 ( 5.457 9.839 14.582) 18.418 5.603 ( 3.484 -1.074 6.282) 7.264 5.737 ( 3.861 2.762 0.902) 4.832 6.282 ( 4.639 -5.677 -13.036) 14.956 6.566 ( 9.873 4.646 -2.413) 11.175 6.772 ( 10.729 -7.661 3.212) 13.569 6.947 ( -1.296 19.254 1.598) 19.363 7.207 ( 0.128 -6.744 -3.359) 7.536 7.864 ( -4.888 4.084 -1.920) 6.653 7.965 ( -1.130 -0.354 1.087) 1.607 8.162 ( -7.875 3.070 -0.531) 8.469 8.409 ( -15.523 -1.118 -4.384) 16.169 8.519 ( -0.549 -4.497 -10.243) 11.200 8.819 ( -6.683 4.494 1.569) 8.205 8.884 ( -3.140 8.604 -13.381) 16.215 9.496 ( -3.728 -4.331 7.671) 9.566 9.648 ( 4.159 2.999 3.624) 6.279 9.833 ( -0.216 2.299 -5.944) 6.377 10.060 ( -11.058 -3.038 1.296) 11.541 10.358 ( 1.024 -3.304 -10.604) 11.154 10.648 ( 1.263 4.194 5.928) 7.370 10.734 ( 12.583 -7.827 8.950) 17.312 11.055 ( 5.028 4.951 2.692) 7.553 11.128 ( 4.418 4.991 1.071) 6.751 11.461 ( -3.002 -2.092 -2.008) 4.174 11.553 ( 5.812 1.332 3.867) 7.107 11.810 ( 3.171 -2.245 -7.164) 8.150 12.413 ( -2.847 -2.770 -4.657) 6.121 12.536 ( -10.409 -1.186 -4.633) 11.456 12.773 ( -8.432 -5.246 -12.840) 16.233 12.917 ( -7.825 -6.376 -6.889) 12.221 13.592 ( 6.167 5.898 -1.341) 8.639 13.791 ( 1.178 4.077 -4.216) 5.982 14.034 ( 5.130 -0.040 -1.068) 5.240 14.174 ( 0.214 2.871 -2.383) 3.737 14.216 ( -1.343 2.486 -1.653) 3.274 14.449 ( 1.138 -0.501 -1.827) 2.210 14.473 ( 0.532 0.137 -1.967) 2.042 14.577 ( -0.183 3.006 -1.402) 3.322 15.303 ( 1.228 -0.975 10.189) 10.309 15.421 ( 2.280 1.401 5.107) 5.765 15.672 ( 2.951 -5.113 7.807) 9.788 16.122 ( -0.555 -6.095 12.966) 14.337 18.683 ( 7.936 2.973 10.511) 13.502 19.264 ( -4.007 0.447 -6.888) 7.981 19.522 ( -1.840 -11.936 -6.338) 13.639 19.584 ( -5.354 -3.674 -4.488) 7.893 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 5.380 1.643 6.735) 8.776 2.273 ( 6.635 2.578 2.523) 7.552 2.352 ( -0.380 1.564 -0.553) 1.702 2.651 ( -1.290 -7.349 0.120) 7.462 2.742 ( 1.106 0.618 -8.769) 8.860 2.901 ( -3.052 -4.263 -1.640) 5.493 3.012 ( -3.625 -0.329 -6.883) 7.786 3.113 ( -5.773 2.214 0.426) 6.197 3.395 ( 1.238 2.819 -0.091) 3.080 3.572 ( 0.811 -3.277 -5.307) 6.290 3.873 ( 7.881 -7.067 10.156) 14.670 4.062 ( -4.521 -9.712 3.521) 11.277 4.983 ( 11.045 21.524 4.856) 24.675 5.425 ( 0.266 17.755 11.480) 21.145 5.785 ( 14.827 -0.633 -1.422) 14.909 5.916 ( 15.054 -0.099 -0.284) 15.057 6.346 ( 2.145 -5.498 -7.929) 9.884 6.758 ( 9.623 3.857 -4.906) 11.470 6.896 ( -2.056 7.974 4.839) 9.551 6.939 ( 4.146 2.749 7.169) 8.725 7.295 ( 9.456 -5.172 -15.566) 18.933 7.661 ( -15.823 7.263 -5.771) 18.342 7.903 ( -14.612 0.657 -6.030) 15.820 7.994 ( -4.845 1.538 -2.788) 5.798 8.093 ( -12.325 3.284 -9.912) 16.154 8.438 ( -10.912 0.738 -16.262) 19.598 8.631 ( 1.597 -1.219 -5.596) 5.946 8.998 ( 5.997 7.238 -0.477) 9.411 9.343 ( -9.748 -2.542 5.824) 11.636 9.699 ( -7.205 -0.398 -0.167) 7.218 9.838 ( 0.350 -1.617 1.837) 2.472 10.034 ( 14.732 8.895 2.121) 17.339 10.356 ( -1.988 -6.166 -9.784) 11.735 10.618 ( -3.898 4.908 4.882) 7.944 10.992 ( 12.799 -7.156 6.909) 16.210 11.146 ( 5.073 7.253 9.059) 12.666 11.238 ( 5.010 0.276 3.911) 6.362 11.438 ( -0.487 -3.689 4.707) 6.001 11.652 ( 5.704 -0.160 2.518) 6.237 11.869 ( 3.034 -0.840 -6.766) 7.463 12.298 ( -11.421 -1.480 -2.869) 11.868 12.346 ( -8.452 -0.314 -5.472) 10.073 12.583 ( -6.735 -6.833 -3.076) 10.075 12.799 ( -5.622 -8.325 -6.614) 12.028 13.696 ( 4.534 5.997 -5.335) 9.218 13.825 ( 1.855 3.447 -5.164) 6.480 14.113 ( 1.680 -0.846 -1.885) 2.663 14.161 ( -0.751 -0.550 -0.102) 0.936 14.240 ( 3.894 4.901 -6.560) 9.067 14.465 ( 0.441 -0.776 -1.850) 2.054 14.479 ( -0.079 1.242 -0.697) 1.426 14.547 ( -2.939 2.284 -1.693) 4.089 15.345 ( 3.637 -0.556 3.707) 5.223 15.462 ( 1.897 0.586 2.397) 3.112 15.730 ( 3.513 -4.135 13.146) 14.222 16.096 ( -3.172 -6.654 15.220) 16.911 18.862 ( 10.289 1.356 5.294) 11.650 19.209 ( -1.100 0.008 -10.857) 10.913 19.435 ( -6.951 -6.166 -8.028) 12.279 19.465 ( -6.682 -5.016 -6.618) 10.658 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 2.124 -1.632 -1.779) 3.215 2.175 ( -5.997 -2.349 -4.187) 7.682 2.544 ( 10.059 6.182 2.304) 12.029 2.658 ( -0.585 -2.131 -0.109) 2.213 2.783 ( 1.346 0.513 -8.854) 8.971 2.839 ( -2.860 -2.524 -3.347) 5.075 2.950 ( -0.408 1.225 -0.959) 1.608 3.017 ( -4.513 -1.271 3.603) 5.913 3.433 ( 3.164 -0.153 -2.119) 3.811 3.518 ( -5.012 -1.990 -4.410) 6.966 3.955 ( 3.991 -12.726 9.654) 16.465 4.028 ( -2.422 -13.173 8.993) 16.133 5.191 ( 9.987 22.305 5.519) 25.054 5.356 ( -6.694 21.953 7.586) 24.172 6.101 ( 14.849 -4.173 -3.030) 15.719 6.231 ( 7.818 -6.298 -0.389) 10.047 6.402 ( 10.506 2.915 0.642) 10.922 6.722 ( -13.604 7.558 5.182) 16.403 6.992 ( 11.975 0.114 -5.157) 13.039 7.051 ( 7.826 8.321 -11.869) 16.473 7.309 ( -14.043 2.578 -12.920) 19.255 7.393 ( -16.019 1.950 -8.893) 18.425 7.626 ( 5.463 -2.074 -14.718) 15.835 7.833 ( -11.397 -3.461 -8.060) 14.381 8.071 ( 5.536 7.789 -9.978) 13.816 8.225 ( -9.915 6.936 -14.547) 18.922 8.777 ( 11.116 -1.744 2.600) 11.549 8.997 ( -8.870 0.693 5.319) 10.366 9.260 ( 4.471 4.453 0.634) 6.342 9.439 ( -12.739 5.140 -0.032) 13.737 10.033 ( 12.678 -6.777 -2.172) 14.539 10.251 ( -8.626 -7.235 -7.406) 13.476 10.308 ( 12.385 7.137 4.568) 15.006 10.506 ( -7.800 5.688 4.302) 10.569 11.180 ( 6.094 -1.106 8.021) 10.134 11.235 ( 1.371 5.779 10.802) 12.327 11.309 ( 4.671 -4.314 7.147) 9.566 11.405 ( -3.547 -3.708 7.380) 8.989 11.811 ( 10.891 -0.389 0.109) 10.898 11.953 ( 6.566 -0.693 -6.794) 9.474 12.052 ( -13.231 -0.746 -1.263) 13.312 12.134 ( -11.561 -0.297 -7.072) 13.556 12.576 ( 4.059 -8.117 0.381) 9.083 12.683 ( -6.215 -8.395 -2.279) 10.691 13.775 ( 3.773 5.460 -7.928) 10.339 13.832 ( -1.558 4.265 -7.698) 8.937 14.126 ( 1.001 -0.793 -0.749) 1.481 14.150 ( -1.019 -1.227 -0.006) 1.595 14.337 ( 5.565 2.609 -6.531) 8.968 14.441 ( -4.434 1.322 -4.595) 6.521 14.475 ( 0.451 0.516 0.044) 0.687 14.492 ( -1.506 1.428 -0.154) 2.081 15.430 ( 4.174 0.433 -1.166) 4.355 15.479 ( -0.660 0.114 -1.821) 1.940 15.830 ( 7.204 -4.686 18.371) 20.282 15.986 ( -7.795 -6.116 17.780) 20.355 19.069 ( 10.858 -0.475 -0.243) 10.872 19.232 ( 3.499 -1.606 -12.604) 13.179 19.271 ( -9.728 -2.381 -4.784) 11.099 19.334 ( -6.508 -4.103 -11.014) 13.435 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.000 13.144 15.979) 20.691 1.927 ( 0.000 19.269 12.555) 22.998 2.439 ( 0.000 -7.574 2.352) 7.930 2.607 ( 0.000 -6.030 0.151) 6.032 2.663 ( 0.000 -7.733 -4.997) 9.207 2.908 ( 0.000 -11.646 9.417) 14.977 3.020 ( 0.000 5.549 -4.895) 7.400 3.182 ( 0.000 -1.577 -4.221) 4.506 3.498 ( 0.000 4.611 -6.261) 7.775 3.580 ( 0.000 4.831 -17.877) 18.519 3.620 ( 0.000 12.494 -4.411) 13.250 4.221 ( 0.000 -14.225 -6.266) 15.544 5.000 ( 0.000 19.407 1.855) 19.495 5.359 ( 0.000 1.902 23.214) 23.291 5.682 ( 0.000 -2.248 12.610) 12.809 5.712 ( 0.000 -2.216 -3.122) 3.828 6.103 ( 0.000 4.890 -13.160) 14.039 6.237 ( 0.000 2.243 6.322) 6.708 6.549 ( 0.000 3.277 -2.764) 4.287 7.026 ( 0.000 -10.058 14.162) 17.371 7.591 ( 0.000 31.663 1.955) 31.724 7.808 ( 0.000 -6.353 11.169) 12.849 7.831 ( 0.000 -7.157 -10.963) 13.093 8.409 ( 0.000 5.129 -4.229) 6.648 8.532 ( 0.000 -4.689 -8.096) 9.356 8.679 ( 0.000 -7.223 -6.202) 9.520 8.970 ( 0.000 6.040 10.204) 11.857 8.974 ( 0.000 7.447 6.615) 9.961 9.481 ( 0.000 -2.781 2.074) 3.469 9.736 ( 0.000 -10.039 -1.271) 10.119 10.025 ( 0.000 -3.728 8.824) 9.579 10.099 ( 0.000 -8.178 13.812) 16.052 10.275 ( 0.000 3.221 -15.934) 16.256 10.375 ( 0.000 0.022 -7.108) 7.108 10.553 ( 0.000 7.085 3.355) 7.840 10.955 ( 0.000 -8.268 -0.848) 8.311 11.208 ( 0.000 7.256 -4.086) 8.327 11.490 ( 0.000 10.262 6.157) 11.967 11.571 ( 0.000 -9.813 -8.450) 12.950 11.730 ( 0.000 2.676 -13.130) 13.399 12.454 ( 0.000 0.467 -8.138) 8.151 12.582 ( 0.000 -7.556 -6.541) 9.994 12.898 ( 0.000 1.055 -17.495) 17.527 13.074 ( 0.000 -5.360 -7.196) 8.972 13.596 ( 0.000 9.730 3.082) 10.206 13.876 ( 0.000 1.374 -4.075) 4.301 13.906 ( 0.000 2.614 3.735) 4.558 14.227 ( 0.000 -6.648 -3.123) 7.345 14.296 ( 0.000 6.458 -1.628) 6.660 14.438 ( 0.000 3.399 -0.800) 3.491 14.471 ( 0.000 0.256 -3.963) 3.971 14.544 ( 0.000 -1.147 -3.031) 3.241 15.239 ( 0.000 0.612 6.490) 6.519 15.390 ( 0.000 -7.736 4.278) 8.840 15.540 ( 0.000 9.795 17.586) 20.130 16.009 ( 0.000 -11.006 14.779) 18.427 18.655 ( 0.000 7.781 10.590) 13.141 19.121 ( 0.000 -15.138 5.926) 16.257 19.408 ( 0.000 2.339 -2.850) 3.687 19.589 ( 0.000 -5.463 -3.058) 6.260 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 6.034 10.388 15.172) 19.352 2.025 ( 7.457 15.864 11.381) 20.899 2.421 ( -1.785 -6.135 3.618) 7.343 2.631 ( 1.933 -5.493 -3.540) 6.815 2.659 ( 0.060 -6.842 -2.721) 7.363 2.934 ( -5.581 2.075 3.630) 6.974 2.967 ( 3.136 -9.820 -0.253) 10.312 3.172 ( -2.164 -4.698 -4.932) 7.147 3.493 ( 0.134 7.462 -7.166) 10.347 3.570 ( -0.412 5.588 -14.379) 15.432 3.657 ( 2.929 10.434 -4.690) 11.809 4.169 ( -5.275 -12.705 -5.660) 14.875 5.059 ( 6.433 18.465 2.661) 19.734 5.371 ( 1.398 0.626 19.816) 19.875 5.610 ( -2.114 2.820 9.776) 10.392 5.785 ( 3.838 2.087 1.602) 4.653 6.145 ( 4.020 2.303 -11.852) 12.726 6.344 ( 9.853 -2.384 1.316) 10.222 6.587 ( 3.987 3.973 1.182) 5.752 7.035 ( 0.467 -10.131 10.459) 14.569 7.521 ( -5.568 25.268 -1.330) 25.908 7.823 ( 2.105 -6.086 10.592) 12.396 7.886 ( 4.030 -0.102 -7.291) 8.331 8.373 ( -4.160 4.915 -2.860) 7.045 8.490 ( -4.726 -5.344 -7.226) 10.155 8.590 ( -7.641 -5.114 -5.248) 10.587 8.914 ( 2.180 9.201 3.326) 10.023 9.122 ( 4.452 0.520 8.977) 10.034 9.520 ( 0.813 1.459 3.094) 3.516 9.678 ( -8.331 -3.122 -5.976) 10.717 9.906 ( -5.779 -5.028 -0.435) 7.673 10.010 ( -1.702 -4.635 -1.171) 5.075 10.303 ( 2.040 0.243 -4.019) 4.513 10.419 ( 2.518 -4.711 4.010) 6.680 10.669 ( 8.026 5.993 5.237) 11.304 10.970 ( 2.168 -6.879 0.814) 7.259 11.205 ( -0.250 6.835 -3.683) 7.768 11.506 ( -1.439 -1.241 -0.172) 1.908 11.574 ( 2.141 2.657 -1.560) 3.752 11.730 ( 0.955 2.376 -10.234) 10.549 12.415 ( -2.966 -0.591 -6.366) 7.047 12.576 ( -1.557 -6.750 -8.817) 11.213 12.819 ( -7.500 -0.385 -16.174) 17.832 12.981 ( -9.044 -6.037 -7.086) 12.979 13.645 ( 4.475 8.973 1.964) 10.217 13.876 ( 0.204 2.200 -3.940) 4.518 13.948 ( 3.947 2.323 2.318) 5.133 14.205 ( -1.778 -4.501 -2.571) 5.480 14.302 ( 0.600 5.947 -2.709) 6.562 14.425 ( -0.368 0.471 -1.729) 1.829 14.490 ( 1.496 2.273 -2.718) 3.846 14.591 ( 3.137 0.022 -3.127) 4.430 15.252 ( 1.042 -0.545 7.109) 7.206 15.400 ( 0.984 -6.432 3.884) 7.577 15.558 ( 1.813 6.933 16.933) 18.387 15.982 ( -2.081 -10.060 14.642) 17.886 18.687 ( 3.331 7.501 9.723) 12.724 19.157 ( 2.945 -15.128 3.617) 15.831 19.382 ( -2.484 2.168 -4.086) 5.250 19.562 ( -2.722 -5.432 -3.809) 7.171 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 9.575 5.055 11.002) 15.436 2.142 ( 4.245 5.988 10.905) 13.145 2.377 ( -2.724 -0.491 7.211) 7.724 2.634 ( -1.219 -1.401 -1.953) 2.695 2.693 ( 2.530 -5.862 -6.135) 8.855 2.814 ( -4.533 1.331 -2.044) 5.148 3.021 ( 0.166 -8.615 -3.287) 9.223 3.109 ( -2.959 -9.584 -1.225) 10.105 3.507 ( 0.483 7.122 -5.888) 9.254 3.550 ( -1.804 4.766 -11.136) 12.247 3.731 ( 4.416 5.459 -1.082) 7.105 4.029 ( -8.785 -9.532 -4.117) 13.601 5.246 ( 11.746 18.092 2.993) 21.777 5.451 ( 8.726 -0.198 13.220) 15.842 5.625 ( 3.779 6.342 7.048) 10.206 5.886 ( 6.531 8.094 3.249) 10.896 6.229 ( 4.391 1.270 -11.350) 12.236 6.575 ( 12.994 -7.650 0.060) 15.079 6.695 ( 6.725 4.672 5.796) 10.032 7.041 ( 0.994 -8.728 -2.565) 9.151 7.416 ( -5.137 21.343 -1.870) 22.032 7.887 ( 3.586 -6.370 7.707) 10.623 7.930 ( -1.807 4.424 -6.899) 8.393 8.270 ( -5.410 6.452 2.114) 8.681 8.317 ( -11.774 -7.952 -4.216) 14.820 8.459 ( -5.849 -1.185 -10.899) 12.426 8.940 ( -9.387 6.609 4.492) 12.328 9.071 ( -0.830 6.546 -9.680) 11.715 9.410 ( -4.848 -2.562 0.059) 5.484 9.590 ( -3.868 -7.358 0.089) 8.313 9.940 ( 8.082 5.263 -1.468) 9.756 10.021 ( 0.452 0.092 -5.535) 5.554 10.311 ( -1.351 -0.525 -2.495) 2.885 10.539 ( 10.972 -9.193 10.304) 17.637 10.767 ( 1.563 5.608 7.718) 9.668 11.041 ( 4.092 -7.733 4.761) 9.960 11.213 ( 2.024 6.571 -1.488) 7.035 11.451 ( -1.919 -1.848 0.136) 2.668 11.629 ( 2.789 6.093 -1.874) 6.958 11.784 ( 3.934 0.286 -2.853) 4.867 12.356 ( -3.361 -1.677 -5.023) 6.272 12.499 ( -6.859 -3.095 -8.427) 11.298 12.647 ( -9.650 -4.871 -14.348) 17.965 12.758 ( -12.644 -7.837 -6.704) 16.317 13.747 ( 5.625 7.908 -0.110) 9.705 13.887 ( 0.891 3.915 -4.412) 5.966 14.033 ( 4.176 0.240 0.454) 4.208 14.171 ( -1.688 -2.525 -1.971) 3.621 14.317 ( 0.906 5.233 -4.741) 7.119 14.428 ( 0.593 -0.929 -2.697) 2.913 14.520 ( 1.273 3.586 -1.641) 4.144 14.623 ( -0.152 0.918 -2.529) 2.695 15.276 ( 1.818 -0.687 7.777) 8.016 15.429 ( 2.033 -3.804 3.085) 5.302 15.601 ( 2.370 2.247 15.793) 16.127 15.950 ( -1.247 -9.618 13.762) 16.836 18.779 ( 6.054 6.254 6.877) 11.093 19.197 ( 0.605 -11.579 -1.350) 11.673 19.327 ( -2.847 -0.105 -6.590) 7.179 19.487 ( -4.992 -5.168 -5.418) 8.999 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -0.302 4.237 5.789) 7.180 2.263 ( 1.344 0.935 5.055) 5.314 2.326 ( 3.327 -3.465 12.506) 13.397 2.622 ( 0.344 -0.843 3.600) 3.713 2.739 ( 2.257 -3.475 -7.165) 8.277 2.776 ( 0.081 1.609 -5.420) 5.655 2.980 ( -2.584 -3.424 -6.663) 7.924 3.073 ( -1.912 -8.403 0.451) 8.630 3.476 ( -2.580 5.126 -4.367) 7.211 3.532 ( -0.683 0.806 -4.580) 4.700 3.772 ( -1.733 -2.810 1.649) 3.691 3.866 ( -6.368 -7.808 -1.701) 10.218 5.462 ( 10.722 18.526 3.905) 21.758 5.722 ( 15.479 5.275 8.212) 18.299 5.760 ( 10.113 3.407 3.752) 11.312 6.013 ( 6.812 8.526 -0.592) 10.929 6.316 ( 5.088 3.225 -7.073) 9.291 6.785 ( 7.853 -7.074 7.381) 12.891 6.858 ( 10.084 4.060 -6.811) 12.828 7.111 ( 5.670 -6.847 -11.251) 14.339 7.314 ( -4.993 15.658 -1.510) 16.504 7.752 ( -14.791 1.528 -7.139) 16.495 7.872 ( -10.870 -3.227 -8.197) 13.991 7.991 ( -14.617 -1.850 -13.015) 19.659 8.247 ( -1.986 8.615 -2.078) 9.082 8.451 ( 7.459 -0.434 4.368) 8.655 8.667 ( -11.616 7.040 -7.779) 15.653 9.105 ( -3.165 -2.033 3.395) 5.067 9.325 ( 0.555 4.306 -1.714) 4.667 9.645 ( 6.830 -5.751 -2.244) 9.206 9.854 ( -8.998 4.595 -1.352) 10.194 10.179 ( 2.815 -4.399 -9.539) 10.875 10.296 ( 4.900 8.779 8.650) 13.263 10.737 ( -4.082 5.503 8.165) 10.659 10.790 ( 13.076 -10.980 7.649) 18.710 11.083 ( 0.322 -11.741 7.818) 14.109 11.311 ( 7.419 7.700 2.901) 11.079 11.459 ( 2.378 2.371 4.063) 5.272 11.701 ( 5.211 5.045 -3.110) 7.892 11.850 ( 2.533 -0.590 -1.332) 2.922 12.266 ( -7.638 -1.282 -5.598) 9.556 12.334 ( -8.365 -0.828 -6.404) 10.567 12.422 ( -11.830 -6.630 -7.410) 15.453 12.572 ( -6.746 -12.246 -7.527) 15.879 13.847 ( 4.304 7.355 -3.188) 9.098 13.913 ( 1.760 4.312 -4.937) 6.787 14.092 ( 1.617 -1.297 -1.221) 2.405 14.139 ( -1.603 -1.844 -1.826) 3.051 14.342 ( 1.995 4.318 -4.863) 6.803 14.446 ( 1.220 -0.989 -2.878) 3.278 14.527 ( -0.759 2.828 -1.172) 3.153 14.586 ( -3.334 1.026 -1.825) 3.937 15.346 ( 5.551 1.167 6.109) 8.336 15.472 ( 2.127 -0.752 2.999) 3.753 15.646 ( 2.332 -1.759 14.416) 14.709 15.913 ( -3.250 -9.948 13.522) 17.098 18.914 ( 7.680 3.791 2.360) 8.884 19.187 ( -0.882 -4.913 -6.985) 8.585 19.275 ( -2.729 -3.884 -8.338) 9.595 19.373 ( -6.623 -4.329 -6.372) 10.159 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 0.885 4.367 4.836) 6.576 2.180 ( -4.387 4.124 4.560) 7.553 2.483 ( 7.846 -9.088 7.168) 13.983 2.599 ( -3.754 -8.808 5.764) 11.175 2.778 ( 2.146 2.023 -6.756) 7.371 2.800 ( 0.713 2.046 -7.619) 7.921 2.963 ( 1.373 -1.236 -2.370) 3.005 3.019 ( -3.430 -2.829 -0.343) 4.459 3.450 ( 0.411 2.997 -2.864) 4.166 3.493 ( -3.213 1.226 -2.383) 4.184 3.727 ( 0.231 -8.608 2.813) 9.059 3.780 ( -4.000 -9.409 2.203) 10.459 5.661 ( 9.522 19.049 4.974) 21.870 5.804 ( -3.913 17.911 8.613) 20.256 6.023 ( 11.991 -3.730 -0.208) 12.559 6.141 ( 1.564 -2.093 -0.003) 2.613 6.510 ( 17.475 8.213 -3.084) 19.554 6.854 ( -10.740 4.600 -3.721) 12.262 6.994 ( 9.953 -0.273 -4.858) 11.079 7.182 ( 1.525 -7.101 -9.103) 11.645 7.289 ( -0.151 8.293 -14.587) 16.780 7.472 ( -12.227 2.176 -13.639) 18.446 7.590 ( -5.234 -0.841 -17.954) 18.720 7.738 ( -12.907 -5.348 -13.425) 19.376 8.301 ( 6.299 12.772 0.379) 14.245 8.443 ( -7.796 13.385 -1.230) 15.539 8.708 ( 12.498 -5.160 5.786) 14.707 8.946 ( -11.196 -6.143 6.872) 14.503 9.429 ( 7.968 10.868 -2.997) 13.805 9.607 ( -9.860 10.346 -2.075) 14.442 9.876 ( 10.479 -8.201 -3.161) 13.676 10.078 ( -9.141 -9.135 -5.481) 14.037 10.475 ( 9.369 8.847 8.961) 15.696 10.630 ( -6.770 6.130 9.102) 12.894 10.990 ( 6.885 -13.620 7.151) 16.854 11.068 ( -1.943 -14.017 8.345) 16.429 11.451 ( 6.113 10.620 5.412) 13.396 11.509 ( 0.938 10.310 7.002) 12.499 11.829 ( 7.709 1.706 -3.401) 8.597 11.903 ( 3.682 -4.372 -2.281) 6.154 12.067 ( -9.843 2.716 -7.079) 12.424 12.119 ( -11.349 -0.475 -8.226) 14.025 12.360 ( 2.758 -11.356 -2.327) 11.916 12.452 ( -5.910 -12.640 -4.297) 14.600 13.911 ( 2.538 6.683 -5.877) 9.254 13.938 ( 0.133 5.201 -5.895) 7.863 14.100 ( 0.144 -1.754 -2.397) 2.973 14.115 ( -1.046 -2.253 -1.809) 3.073 14.400 ( 3.881 3.047 -3.144) 5.851 14.474 ( 0.190 0.746 -3.300) 3.389 14.484 ( -2.154 1.113 -0.178) 2.431 14.522 ( -2.671 0.943 -1.461) 3.187 15.459 ( 4.750 2.594 2.869) 6.125 15.499 ( 0.251 2.239 2.602) 3.442 15.705 ( 4.435 -6.459 14.669) 16.630 15.817 ( -6.259 -9.177 14.304) 18.111 19.069 ( 8.131 0.729 -2.580) 8.561 19.186 ( 0.679 -3.270 -9.443) 10.016 19.212 ( -4.405 -2.241 -8.953) 10.227 19.243 ( -5.626 -3.626 -6.681) 9.457 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 0.000 -7.741 5.243) 9.350 2.081 ( 0.000 7.741 5.243) 9.350 2.477 ( 0.000 -9.196 0.238) 9.199 2.477 ( 0.000 9.196 0.238) 9.199 2.613 ( 0.000 -7.670 6.870) 10.297 2.613 ( 0.000 7.670 6.870) 10.297 3.130 ( 0.000 -4.219 -3.959) 5.786 3.130 ( 0.000 4.219 -3.959) 5.786 3.602 ( 0.000 -2.780 -15.617) 15.863 3.602 ( 0.000 2.780 -15.617) 15.863 3.912 ( 0.000 -14.791 -6.053) 15.982 3.912 ( 0.000 14.791 -6.053) 15.982 5.287 ( 0.000 -8.281 12.560) 15.045 5.287 ( 0.000 8.281 12.560) 15.045 5.691 ( 0.000 -1.093 10.169) 10.228 5.691 ( 0.000 1.093 10.169) 10.228 6.206 ( 0.000 -4.359 -14.125) 14.783 6.206 ( 0.000 4.359 -14.125) 14.783 6.751 ( 0.000 -14.153 16.551) 21.778 6.751 ( 0.000 14.153 16.551) 21.778 7.739 ( 0.000 -0.835 -0.900) 1.228 7.739 ( 0.000 0.835 -0.900) 1.228 8.228 ( 0.000 -25.186 -0.831) 25.199 8.228 ( 0.000 25.186 -0.831) 25.199 8.521 ( 0.000 -5.689 -5.854) 8.163 8.521 ( 0.000 5.689 -5.854) 8.163 9.051 ( 0.000 -0.646 7.892) 7.918 9.051 ( 0.000 0.646 7.892) 7.918 9.538 ( 0.000 -7.244 -0.444) 7.258 9.538 ( 0.000 7.244 -0.444) 7.258 9.991 ( 0.000 -1.285 11.070) 11.144 9.991 ( 0.000 1.285 11.070) 11.144 10.342 ( 0.000 -2.794 -11.507) 11.842 10.342 ( 0.000 2.794 -11.507) 11.842 10.743 ( 0.000 -10.435 1.307) 10.516 10.743 ( 0.000 10.435 1.307) 10.516 11.374 ( 0.000 -8.635 -6.278) 10.676 11.374 ( 0.000 8.635 -6.278) 10.676 11.685 ( 0.000 -6.915 -0.783) 6.959 11.685 ( 0.000 6.915 -0.783) 6.959 12.480 ( 0.000 -2.401 -8.656) 8.983 12.480 ( 0.000 2.401 -8.656) 8.983 12.957 ( 0.000 -4.669 -12.770) 13.597 12.957 ( 0.000 4.669 -12.770) 13.597 13.777 ( 0.000 -6.958 2.070) 7.259 13.777 ( 0.000 6.958 2.070) 7.259 14.071 ( 0.000 -8.148 -2.798) 8.615 14.071 ( 0.000 8.148 -2.798) 8.615 14.431 ( 0.000 -4.992 -4.428) 6.673 14.431 ( 0.000 4.992 -4.428) 6.673 14.496 ( 0.000 -2.506 -0.892) 2.660 14.496 ( 0.000 2.506 -0.892) 2.660 15.269 ( 0.000 -3.183 4.980) 5.910 15.269 ( 0.000 3.183 4.980) 5.910 15.767 ( 0.000 -11.530 18.110) 21.469 15.767 ( 0.000 11.530 18.110) 21.469 18.849 ( 0.000 -10.868 7.330) 13.109 18.849 ( 0.000 10.868 7.330) 13.109 19.480 ( 0.000 -4.507 -3.224) 5.541 19.480 ( 0.000 4.507 -3.224) 5.541 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 1.226 -7.939 6.121) 10.099 2.091 ( 1.226 7.939 6.121) 10.099 2.511 ( 2.232 -7.952 -0.060) 8.259 2.511 ( 2.232 7.952 -0.060) 8.259 2.649 ( 3.765 -10.735 7.052) 13.385 2.649 ( 3.765 10.735 7.052) 13.385 3.065 ( -5.906 -6.009 -4.505) 9.554 3.065 ( -5.906 6.009 -4.505) 9.554 3.610 ( 0.595 -2.078 -15.248) 15.401 3.610 ( 0.595 2.078 -15.248) 15.401 3.899 ( -1.459 -12.560 -5.540) 13.805 3.899 ( -1.459 12.560 -5.540) 13.805 5.303 ( 2.483 -6.382 12.000) 13.817 5.303 ( 2.483 6.382 12.000) 13.817 5.748 ( 5.311 -6.357 7.686) 11.300 5.748 ( 5.311 6.357 7.686) 11.300 6.245 ( 4.216 -6.097 -10.881) 13.166 6.245 ( 4.216 6.097 -10.881) 13.166 6.779 ( 2.701 -12.736 13.518) 18.768 6.779 ( 2.701 12.736 13.518) 18.768 7.729 ( -0.535 -2.273 -0.551) 2.399 7.729 ( -0.535 2.273 -0.551) 2.399 8.212 ( -2.275 -20.905 -1.916) 21.116 8.212 ( -2.275 20.905 -1.916) 21.116 8.481 ( -3.817 -5.099 -4.861) 8.012 8.481 ( -3.817 5.099 -4.861) 8.012 9.066 ( 1.928 -4.989 6.843) 8.685 9.066 ( 1.928 4.989 6.843) 8.685 9.584 ( -1.430 -4.361 -0.132) 4.592 9.584 ( -1.430 4.361 -0.132) 4.592 9.907 ( -1.649 -4.265 -2.489) 5.207 9.907 ( -1.649 4.265 -2.489) 5.207 10.341 ( -0.228 -2.961 -0.849) 3.088 10.341 ( -0.228 2.961 -0.849) 3.088 10.805 ( 5.063 -7.387 3.697) 9.688 10.805 ( 5.063 7.387 3.697) 9.688 11.362 ( -1.070 -7.960 -5.290) 9.617 11.362 ( -1.070 7.960 -5.290) 9.617 11.709 ( 2.128 -5.256 -0.384) 5.683 11.709 ( 2.128 5.256 -0.384) 5.683 12.454 ( -2.506 -4.282 -9.150) 10.409 12.454 ( -2.506 4.282 -9.150) 10.409 12.862 ( -9.245 -4.376 -11.955) 15.734 12.862 ( -9.245 4.376 -11.955) 15.734 13.811 ( 3.208 -6.182 0.992) 7.035 13.811 ( 3.208 6.182 0.992) 7.035 14.077 ( 0.577 -7.026 -2.406) 7.449 14.077 ( 0.577 7.026 -2.406) 7.449 14.406 ( -1.107 -2.922 -3.540) 4.722 14.406 ( -1.107 2.922 -3.540) 4.722 14.553 ( 3.757 -3.243 -2.444) 5.533 14.553 ( 3.757 3.243 -2.444) 5.533 15.276 ( 0.847 -3.598 5.582) 6.695 15.276 ( 0.847 3.598 5.582) 6.695 15.758 ( -0.730 -10.729 17.273) 20.347 15.758 ( -0.730 10.729 17.273) 20.347 18.881 ( 2.998 -11.055 6.160) 13.005 18.881 ( 2.998 11.055 6.160) 13.005 19.454 ( -2.649 -4.515 -4.191) 6.706 19.454 ( -2.649 4.515 -4.191) 6.706 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 2.833 -3.562 6.956) 8.312 2.131 ( 2.833 3.562 6.956) 8.312 2.521 ( -1.568 -8.001 5.086) 9.609 2.521 ( -1.568 8.001 5.086) 9.609 2.741 ( 5.039 -10.803 3.449) 12.409 2.741 ( 5.039 10.803 3.449) 12.409 2.946 ( -5.221 -6.829 -6.480) 10.765 2.946 ( -5.221 6.829 -6.480) 10.765 3.606 ( -1.560 -0.899 -12.416) 12.546 3.606 ( -1.560 0.899 -12.416) 12.546 3.851 ( -3.656 -6.955 -4.264) 8.940 3.851 ( -3.656 6.955 -4.264) 8.940 5.416 ( 9.635 -2.678 8.732) 13.276 5.416 ( 9.635 2.678 8.732) 13.276 5.871 ( 7.094 -10.123 3.038) 12.729 5.871 ( 7.094 10.123 3.038) 12.729 6.371 ( 8.430 -10.475 -3.589) 13.917 6.371 ( 8.430 10.475 -3.589) 13.917 6.848 ( 4.427 -9.019 3.916) 10.783 6.848 ( 4.427 9.019 3.916) 10.783 7.724 ( -0.783 -9.257 0.054) 9.290 7.724 ( -0.783 9.257 0.054) 9.290 8.113 ( -8.162 -11.053 -5.976) 14.983 8.113 ( -8.162 11.053 -5.976) 14.983 8.402 ( -3.572 -5.015 -2.206) 6.540 8.402 ( -3.572 5.015 -2.206) 6.540 9.078 ( -3.956 -5.270 5.498) 8.582 9.078 ( -3.956 5.270 5.498) 8.582 9.436 ( -5.342 -5.229 -7.774) 10.784 9.436 ( -5.342 5.229 -7.774) 10.784 10.015 ( 5.857 -2.119 -7.472) 9.728 10.015 ( 5.857 2.119 -7.472) 9.728 10.367 ( 4.946 -6.176 8.287) 11.458 10.367 ( 4.946 6.176 8.287) 11.458 10.885 ( 2.086 -6.098 8.084) 10.339 10.885 ( 2.086 6.098 8.084) 10.339 11.355 ( 1.358 -6.371 -3.257) 7.283 11.355 ( 1.358 6.371 -3.257) 7.283 11.756 ( 2.587 -4.538 0.676) 5.267 11.756 ( 2.587 4.538 0.676) 5.267 12.392 ( -3.798 -5.202 -8.938) 11.016 12.392 ( -3.798 5.202 -8.938) 11.016 12.633 ( -13.634 -3.208 -10.641) 17.590 12.633 ( -13.634 3.208 -10.641) 17.590 13.885 ( 4.020 -4.298 -1.182) 6.002 13.885 ( 4.020 4.298 -1.182) 6.002 14.088 ( 0.361 -4.612 -1.805) 4.966 14.088 ( 0.361 4.612 -1.805) 4.966 14.398 ( 0.200 -2.386 -3.907) 4.583 14.398 ( 0.200 2.386 -3.907) 4.583 14.600 ( 0.671 -3.107 -2.654) 4.141 14.600 ( 0.671 3.107 -2.654) 4.141 15.313 ( 3.285 -4.583 6.493) 8.599 15.313 ( 3.285 4.583 6.493) 8.599 15.744 ( -0.782 -9.304 15.033) 17.696 15.744 ( -0.782 9.304 15.033) 17.696 18.951 ( 3.987 -10.188 2.987) 11.341 18.951 ( 3.987 10.188 2.987) 11.341 19.384 ( -4.367 -4.225 -6.394) 8.821 19.384 ( -4.367 4.225 -6.394) 8.821 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 3.893 -3.718 6.877) 8.733 2.197 ( 3.893 3.718 6.877) 8.733 2.453 ( -4.939 -10.099 8.445) 14.061 2.453 ( -4.939 10.099 8.445) 14.061 2.826 ( 3.415 -5.954 0.457) 6.879 2.826 ( 3.415 5.954 0.457) 6.879 2.892 ( -0.386 -2.053 -6.931) 7.239 2.892 ( -0.386 2.053 -6.931) 7.239 3.556 ( -2.745 -1.094 -7.001) 7.599 3.556 ( -2.745 1.094 -7.001) 7.599 3.755 ( -6.186 -2.218 -2.739) 7.120 3.755 ( -6.186 2.218 -2.739) 7.120 5.660 ( 14.420 -4.435 3.953) 15.596 5.660 ( 14.420 4.435 3.953) 15.596 6.011 ( 6.656 -9.304 3.034) 11.835 6.011 ( 6.656 9.304 3.034) 11.835 6.541 ( 9.011 -14.926 -0.540) 17.443 6.541 ( 9.011 14.926 -0.540) 17.443 6.961 ( 7.218 -5.771 -8.275) 12.405 6.961 ( 7.218 5.771 -8.275) 12.405 7.629 ( -10.094 -12.212 -0.105) 15.844 7.629 ( -10.094 12.212 -0.105) 15.844 7.904 ( -13.449 -4.927 -17.991) 22.996 7.904 ( -13.449 4.927 -17.991) 22.996 8.394 ( 4.257 -4.961 3.305) 7.325 8.394 ( 4.257 4.961 3.305) 7.325 8.914 ( -9.608 -13.301 3.759) 16.833 8.914 ( -9.608 13.301 3.759) 16.833 9.486 ( 7.562 -8.529 -4.896) 12.405 9.486 ( 7.562 8.529 -4.896) 12.405 10.011 ( -5.144 -9.115 -5.692) 11.913 10.011 ( -5.144 9.115 -5.692) 11.913 10.538 ( 10.220 -12.119 8.581) 18.027 10.538 ( 10.220 12.119 8.581) 18.027 10.869 ( -3.138 -7.561 10.454) 13.278 10.869 ( -3.138 7.561 10.454) 13.278 11.446 ( 8.025 -4.232 -0.818) 9.109 11.446 ( 8.025 4.232 -0.818) 9.109 11.812 ( 3.084 -4.413 1.652) 5.632 11.812 ( 3.084 4.413 1.652) 5.632 12.298 ( -6.714 -4.200 -6.920) 10.517 12.298 ( -6.714 4.200 -6.920) 10.517 12.369 ( -12.245 -2.912 -9.898) 16.012 12.369 ( -12.245 2.912 -9.898) 16.012 13.957 ( 3.364 -1.839 -3.359) 5.098 13.957 ( 3.364 1.839 -3.359) 5.098 14.087 ( -0.574 -2.008 -2.138) 2.989 14.087 ( -0.574 2.008 -2.138) 2.989 14.413 ( 1.415 -2.368 -3.462) 4.427 14.413 ( 1.415 2.368 -3.462) 4.427 14.579 ( -2.458 -1.674 -1.870) 3.513 14.579 ( -2.458 1.674 -1.870) 3.513 15.404 ( 5.963 -4.133 6.956) 10.051 15.404 ( 5.963 4.133 6.956) 10.051 15.718 ( -2.323 -7.585 12.301) 14.637 15.718 ( -2.323 7.585 12.301) 14.637 19.029 ( 4.024 -7.167 -1.377) 8.334 19.029 ( 4.024 7.167 -1.377) 8.334 19.293 ( -4.959 -3.018 -8.173) 10.025 19.293 ( -4.959 3.018 -8.173) 10.025 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 4.067 -9.348 7.018) 12.376 2.275 ( 4.067 9.348 7.018) 12.376 2.357 ( -4.593 -11.562 7.981) 14.781 2.357 ( -4.593 11.562 7.981) 14.781 2.873 ( 1.898 -1.203 -2.408) 3.294 2.873 ( 1.898 1.203 -2.408) 3.294 2.898 ( -0.243 -1.733 -4.485) 4.815 2.898 ( -0.243 1.733 -4.485) 4.815 3.541 ( 1.924 -3.163 -2.711) 4.589 3.541 ( 1.924 3.163 -2.711) 4.589 3.627 ( -6.336 -3.799 -1.737) 7.589 3.627 ( -6.336 3.799 -1.737) 7.589 5.921 ( 11.480 -6.919 3.691) 13.903 5.921 ( 11.480 6.919 3.691) 13.903 6.065 ( -2.488 -7.132 5.546) 9.371 6.065 ( -2.488 7.132 5.546) 9.371 6.765 ( 15.123 -13.412 -6.241) 21.155 6.765 ( 15.123 13.412 -6.241) 21.155 7.031 ( -5.979 -5.382 -9.770) 12.656 7.031 ( -5.979 5.382 -9.770) 12.656 7.451 ( -0.910 -4.677 -10.549) 11.575 7.451 ( -0.910 4.677 -10.549) 11.575 7.623 ( -14.061 -4.538 -20.708) 25.438 7.623 ( -14.061 4.538 -20.708) 25.438 8.549 ( 10.109 -10.002 6.433) 15.608 8.549 ( 10.109 10.002 6.433) 15.608 8.739 ( -9.155 -13.103 5.837) 17.017 8.739 ( -9.155 13.103 5.837) 17.017 9.664 ( 10.260 -10.211 -3.593) 14.914 9.664 ( 10.260 10.211 -3.593) 14.914 9.862 ( -9.591 -11.116 -4.067) 15.235 9.862 ( -9.591 11.116 -4.067) 15.235 10.699 ( 6.207 -12.612 9.115) 16.753 10.699 ( 6.207 12.612 9.115) 16.753 10.794 ( -4.220 -10.353 10.534) 15.361 10.794 ( -4.220 10.353 10.534) 15.361 11.644 ( 11.534 -3.541 0.547) 12.078 11.644 ( 11.534 3.541 0.547) 12.078 11.825 ( -4.450 -1.062 2.078) 5.025 11.825 ( -4.450 1.062 2.078) 5.025 12.154 ( -3.143 -6.098 -7.712) 10.322 12.154 ( -3.143 6.098 -7.712) 10.322 12.208 ( -6.122 -8.583 -7.090) 12.705 12.208 ( -6.122 8.583 -7.090) 12.705 14.016 ( 2.746 -0.587 -4.319) 5.152 14.016 ( 2.746 0.587 -4.319) 5.152 14.062 ( -1.958 -0.531 -3.567) 4.103 14.062 ( -1.958 0.531 -3.567) 4.103 14.455 ( 2.908 -1.969 -2.078) 4.080 14.455 ( 2.908 1.969 -2.078) 4.080 14.519 ( -3.472 -1.205 -1.425) 3.942 14.519 ( -3.472 1.205 -1.425) 3.942 15.530 ( 6.666 -2.836 7.885) 10.707 15.530 ( 6.666 2.836 7.885) 10.707 15.647 ( -5.033 -4.908 9.778) 12.043 15.647 ( -5.033 4.908 9.778) 12.043 19.109 ( 4.341 -3.126 -5.555) 7.712 19.109 ( 4.341 3.126 -5.555) 7.712 19.197 ( -4.812 -0.703 -8.046) 9.402 19.197 ( -4.812 0.703 -8.046) 9.402 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.000 0.000 23.827) 23.827 1.913 ( 0.000 0.000 21.284) 21.284 2.569 ( 0.000 0.000 -9.097) 9.097 2.579 ( 0.000 0.000 -10.457) 10.457 2.941 ( 0.000 0.000 -7.128) 7.128 2.951 ( 0.000 0.000 -7.663) 7.663 2.993 ( 0.000 0.000 -6.057) 6.057 3.064 ( 0.000 0.000 -13.519) 13.519 3.183 ( 0.000 0.000 7.090) 7.090 3.501 ( 0.000 0.000 7.711) 7.711 3.627 ( 0.000 0.000 19.484) 19.484 4.467 ( 0.000 0.000 9.679) 9.679 4.505 ( 0.000 0.000 -6.776) 6.776 5.223 ( 0.000 0.000 -5.991) 5.991 5.743 ( 0.000 0.000 -8.945) 8.945 5.982 ( 0.000 0.000 15.673) 15.673 6.028 ( 0.000 0.000 -20.271) 20.271 6.294 ( 0.000 0.000 16.734) 16.734 6.502 ( 0.000 0.000 20.671) 20.671 6.775 ( 0.000 0.000 1.371) 1.371 7.497 ( 0.000 0.000 14.369) 14.369 7.540 ( 0.000 0.000 -25.039) 25.039 8.214 ( 0.000 0.000 -2.903) 2.903 8.305 ( 0.000 0.000 -7.010) 7.010 8.572 ( 0.000 0.000 -9.835) 9.835 8.624 ( 0.000 0.000 26.453) 26.453 8.732 ( 0.000 0.000 -12.224) 12.224 8.790 ( 0.000 0.000 6.611) 6.611 9.780 ( 0.000 0.000 -13.003) 13.003 9.834 ( 0.000 0.000 -11.502) 11.502 9.969 ( 0.000 0.000 0.604) 0.604 10.068 ( 0.000 0.000 -10.551) 10.551 10.282 ( 0.000 0.000 6.010) 6.010 10.575 ( 0.000 0.000 4.206) 4.206 10.661 ( 0.000 0.000 10.055) 10.055 10.860 ( 0.000 0.000 -1.815) 1.815 10.973 ( 0.000 0.000 -2.043) 2.043 11.332 ( 0.000 0.000 -12.670) 12.670 11.498 ( 0.000 0.000 19.203) 19.203 11.716 ( 0.000 0.000 -0.565) 0.565 12.388 ( 0.000 0.000 -1.465) 1.465 12.526 ( 0.000 0.000 -15.684) 15.684 12.642 ( 0.000 0.000 -12.856) 12.856 12.997 ( 0.000 0.000 -10.368) 10.368 13.425 ( 0.000 0.000 5.740) 5.740 13.672 ( 0.000 0.000 -2.240) 2.240 14.077 ( 0.000 0.000 -1.275) 1.275 14.094 ( 0.000 0.000 1.003) 1.003 14.257 ( 0.000 0.000 -7.678) 7.678 14.322 ( 0.000 0.000 3.736) 3.736 14.378 ( 0.000 0.000 -3.876) 3.876 14.489 ( 0.000 0.000 -1.509) 1.509 15.406 ( 0.000 0.000 8.095) 8.095 15.649 ( 0.000 0.000 0.215) 0.215 15.710 ( 0.000 0.000 20.670) 20.670 16.379 ( 0.000 0.000 1.347) 1.347 18.845 ( 0.000 0.000 18.480) 18.480 19.346 ( 0.000 0.000 -0.267) 0.267 19.569 ( 0.000 0.000 -5.827) 5.827 19.648 ( 0.000 0.000 -6.242) 6.242 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 4.812 0.000 17.481) 18.131 1.967 ( 6.169 0.000 20.229) 21.149 2.510 ( -5.920 0.000 -9.590) 11.270 2.577 ( -0.290 0.000 -9.576) 9.581 2.929 ( -2.501 0.000 -6.911) 7.350 2.932 ( -1.979 0.000 -6.758) 7.042 3.014 ( 2.232 0.000 -4.226) 4.779 3.080 ( 1.922 0.000 -8.391) 8.608 3.241 ( 5.612 0.000 1.388) 5.781 3.457 ( -4.117 0.000 2.526) 4.830 3.701 ( 8.741 0.000 23.418) 24.996 4.448 ( -5.469 0.000 -5.643) 7.858 4.527 ( 5.893 0.000 9.183) 10.912 5.252 ( 2.566 0.000 -5.468) 6.040 5.776 ( 2.798 0.000 -1.889) 3.376 5.905 ( -4.969 0.000 16.045) 16.797 6.070 ( 3.449 0.000 -13.978) 14.397 6.387 ( 6.839 0.000 13.743) 15.351 6.510 ( 2.937 0.000 7.232) 7.806 6.766 ( -0.577 0.000 0.980) 1.137 7.539 ( 2.110 0.000 13.077) 13.246 7.553 ( 1.162 0.000 -23.086) 23.115 8.192 ( -2.410 0.000 -2.210) 3.270 8.265 ( -20.540 0.000 12.040) 23.808 8.317 ( 0.954 0.000 -8.022) 8.078 8.533 ( -6.025 0.000 -14.342) 15.556 8.694 ( -1.035 0.000 -4.621) 4.735 8.984 ( -8.155 0.000 1.450) 8.283 9.505 ( -1.232 0.000 -0.239) 1.255 9.794 ( -5.158 0.000 -4.250) 6.683 9.874 ( -5.807 0.000 0.845) 5.868 10.295 ( -2.482 0.000 -0.275) 2.497 10.319 ( -11.563 0.000 1.233) 11.629 10.376 ( 16.157 0.000 -8.053) 18.053 10.853 ( 1.114 0.000 2.034) 2.319 10.919 ( 11.880 0.000 10.785) 16.045 11.060 ( 7.103 0.000 -0.545) 7.124 11.321 ( 1.466 0.000 -10.577) 10.678 11.533 ( 3.695 0.000 15.523) 15.957 11.748 ( 2.754 0.000 0.807) 2.870 12.397 ( 0.117 0.000 -0.853) 0.860 12.515 ( -0.244 0.000 -17.883) 17.885 12.586 ( -5.400 0.000 -11.184) 12.419 12.940 ( -5.876 0.000 -10.757) 12.258 13.450 ( 2.101 0.000 3.479) 4.064 13.669 ( -0.192 0.000 -2.494) 2.501 14.051 ( -2.318 0.000 3.587) 4.271 14.085 ( 0.862 0.000 -1.137) 1.426 14.218 ( -2.820 0.000 -4.562) 5.363 14.363 ( 3.141 0.000 1.127) 3.337 14.426 ( 3.384 0.000 -4.503) 5.633 14.492 ( 0.251 0.000 -1.372) 1.395 15.436 ( 2.279 0.000 5.838) 6.267 15.570 ( -5.202 0.000 5.936) 7.892 15.814 ( 7.012 0.000 13.645) 15.341 16.367 ( -0.334 0.000 3.229) 3.247 18.861 ( 1.671 0.000 16.951) 17.033 19.286 ( -5.975 0.000 -1.157) 6.086 19.549 ( -2.456 0.000 -7.583) 7.971 19.612 ( -3.673 0.000 -6.384) 7.365 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 2.048 0.000 6.417) 6.736 2.110 ( 8.273 0.000 12.285) 14.810 2.356 ( -9.422 0.000 -10.000) 13.740 2.563 ( -1.225 0.000 -7.704) 7.801 2.849 ( -4.726 0.000 -3.641) 5.966 2.892 ( -1.014 0.000 -1.190) 1.564 3.073 ( 3.537 0.000 -1.227) 3.744 3.091 ( -2.084 0.000 -2.910) 3.579 3.355 ( 3.980 0.000 -0.211) 3.985 3.403 ( 0.143 0.000 -5.336) 5.338 3.973 ( 18.651 0.000 19.223) 26.784 4.329 ( -5.438 0.000 -1.264) 5.583 4.672 ( 8.419 0.000 7.816) 11.487 5.294 ( 0.952 0.000 -3.913) 4.027 5.811 ( 0.404 0.000 12.221) 12.227 5.869 ( 2.371 0.000 13.470) 13.677 6.166 ( 7.734 0.000 -8.915) 11.802 6.499 ( 4.523 0.000 6.725) 8.105 6.672 ( 13.432 0.000 -11.940) 17.971 6.769 ( 0.940 0.000 2.254) 2.442 7.481 ( -9.269 0.000 6.737) 11.459 7.566 ( -0.830 0.000 -17.645) 17.665 7.918 ( -15.025 0.000 2.104) 15.172 8.111 ( -6.544 0.000 0.403) 6.557 8.203 ( -18.360 0.000 -15.838) 24.247 8.447 ( 5.111 0.000 -5.211) 7.299 8.485 ( -31.641 0.000 -17.343) 36.083 8.766 ( 7.149 0.000 0.099) 7.150 9.713 ( -2.741 0.000 3.789) 4.676 9.728 ( -8.291 0.000 -0.574) 8.311 9.771 ( 18.138 0.000 15.232) 23.685 10.113 ( -15.410 0.000 -1.525) 15.485 10.208 ( -1.024 0.000 -6.641) 6.719 10.566 ( 3.478 0.000 -6.235) 7.139 10.960 ( 10.268 0.000 5.965) 11.875 11.097 ( 8.513 0.000 6.811) 10.902 11.197 ( 6.559 0.000 6.814) 9.458 11.423 ( 6.910 0.000 -5.912) 9.093 11.638 ( 6.647 0.000 8.410) 10.720 11.799 ( 2.200 0.000 3.456) 4.097 12.373 ( -2.589 0.000 -1.229) 2.866 12.453 ( -8.037 0.000 -7.732) 11.152 12.532 ( 1.315 0.000 -16.389) 16.442 12.790 ( -8.378 0.000 -11.161) 13.956 13.482 ( 0.852 0.000 -1.324) 1.574 13.669 ( 0.028 0.000 -3.984) 3.984 14.054 ( 2.714 0.000 4.977) 5.669 14.106 ( 0.896 0.000 -1.126) 1.439 14.171 ( -1.417 0.000 -2.012) 2.461 14.426 ( 3.122 0.000 0.885) 3.245 14.478 ( 1.777 0.000 -3.241) 3.696 14.498 ( 0.346 0.000 -0.702) 0.783 15.453 ( -6.077 0.000 3.096) 6.821 15.460 ( -0.917 0.000 1.088) 1.423 15.951 ( 7.181 0.000 14.621) 16.289 16.398 ( 3.372 0.000 6.588) 7.401 18.908 ( 3.248 0.000 12.711) 13.120 19.137 ( -8.609 0.000 -3.979) 9.484 19.459 ( -6.965 0.000 -10.825) 12.872 19.512 ( -6.411 0.000 -6.531) 9.152 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -5.077 0.000 -5.370) 7.390 2.163 ( -10.297 0.000 -10.595) 14.774 2.282 ( 9.264 0.000 3.196) 9.800 2.536 ( -1.136 0.000 -7.815) 7.897 2.773 ( -2.907 0.000 0.050) 2.907 2.936 ( 5.465 0.000 5.882) 8.029 3.001 ( -6.740 0.000 1.974) 7.023 3.133 ( 2.155 0.000 1.555) 2.658 3.367 ( -0.264 0.000 -2.625) 2.638 3.434 ( -0.013 0.000 -8.828) 8.828 4.288 ( 4.088 0.000 8.733) 9.642 4.346 ( 14.748 0.000 13.087) 19.718 4.835 ( 8.278 0.000 5.812) 10.115 5.266 ( -3.978 0.000 -1.796) 4.364 5.846 ( 5.684 0.000 8.299) 10.059 6.017 ( 12.870 0.000 8.243) 15.283 6.366 ( 11.490 0.000 -3.164) 11.917 6.581 ( 4.496 0.000 -0.918) 4.588 6.781 ( -0.423 0.000 4.202) 4.224 6.984 ( 16.753 0.000 -17.452) 24.191 7.219 ( -15.128 0.000 -2.531) 15.338 7.410 ( -19.027 0.000 -7.679) 20.518 7.719 ( -26.671 0.000 -9.849) 28.431 7.721 ( -3.953 0.000 -11.009) 11.698 7.973 ( -10.327 0.000 -3.400) 10.872 7.973 ( -17.942 0.000 -18.641) 25.873 8.620 ( 11.261 0.000 1.757) 11.397 8.927 ( 8.793 0.000 0.585) 8.812 9.524 ( -10.758 0.000 7.836) 13.309 9.680 ( -10.919 0.000 -0.762) 10.945 9.858 ( -1.049 0.000 -3.768) 3.911 10.088 ( 14.258 0.000 12.298) 18.829 10.200 ( -1.284 0.000 -11.043) 11.117 10.562 ( -2.767 0.000 -2.373) 3.645 11.187 ( 11.147 0.000 6.330) 12.819 11.273 ( 9.328 0.000 3.098) 9.829 11.316 ( 5.920 0.000 10.500) 12.054 11.522 ( 2.893 0.000 -4.407) 5.272 11.766 ( 6.553 0.000 6.165) 8.997 11.838 ( 2.220 0.000 5.429) 5.865 12.270 ( -8.786 0.000 -0.972) 8.839 12.286 ( -9.121 0.000 -3.452) 9.753 12.554 ( 1.547 0.000 -8.616) 8.754 12.680 ( -2.585 0.000 -12.847) 13.105 13.492 ( 0.640 0.000 -5.672) 5.708 13.652 ( -2.151 0.000 -7.629) 7.927 14.115 ( 0.741 0.000 -0.128) 0.752 14.139 ( 5.604 0.000 4.298) 7.062 14.173 ( 0.811 0.000 -0.227) 0.842 14.476 ( 1.944 0.000 1.593) 2.513 14.481 ( -1.983 0.000 -0.284) 2.003 14.506 ( 0.527 0.000 0.775) 0.937 15.342 ( -3.774 0.000 -2.529) 4.543 15.431 ( -2.382 0.000 -2.993) 3.826 16.100 ( 8.330 0.000 16.947) 18.884 16.454 ( 1.172 0.000 10.730) 10.794 18.986 ( 4.777 0.000 6.820) 8.326 18.993 ( -5.207 0.000 -8.601) 10.055 19.288 ( -10.289 0.000 -13.493) 16.968 19.374 ( -7.650 0.000 -5.910) 9.667 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -1.395 0.000 -9.865) 9.963 1.986 ( -6.881 0.000 -11.083) 13.045 2.447 ( 6.919 0.000 -6.945) 9.804 2.520 ( -1.165 0.000 -10.846) 10.908 2.750 ( 1.399 0.000 6.293) 6.446 2.850 ( -7.973 0.000 6.105) 10.042 3.060 ( 6.066 0.000 6.414) 8.828 3.139 ( -1.842 0.000 4.199) 4.585 3.372 ( 0.919 0.000 -5.097) 5.180 3.404 ( -2.183 0.000 -7.704) 8.008 4.408 ( 7.607 0.000 13.403) 15.412 4.503 ( 0.121 0.000 15.761) 15.761 4.994 ( 8.276 0.000 3.285) 8.904 5.150 ( -7.525 0.000 0.662) 7.554 6.099 ( 20.005 0.000 -3.200) 20.259 6.350 ( 20.595 0.000 3.445) 20.881 6.462 ( -9.211 0.000 0.398) 9.220 6.651 ( -1.834 0.000 -2.257) 2.908 6.748 ( -0.335 0.000 2.437) 2.460 6.949 ( -22.189 0.000 -9.055) 23.966 6.961 ( 0.796 0.000 -12.707) 12.732 7.204 ( -16.624 0.000 -13.498) 21.414 7.408 ( 14.050 0.000 -4.046) 14.621 7.710 ( 1.543 0.000 -13.399) 13.488 7.724 ( -15.279 0.000 -6.966) 16.792 7.773 ( -5.431 0.000 -15.127) 16.072 8.860 ( 13.209 0.000 4.916) 14.094 9.048 ( -0.619 0.000 2.020) 2.113 9.328 ( -4.997 0.000 8.012) 9.442 9.426 ( -10.816 0.000 3.067) 11.242 9.980 ( 8.640 0.000 -9.696) 12.987 10.130 ( -6.075 0.000 -12.221) 13.648 10.320 ( 9.895 0.000 6.810) 12.012 10.475 ( -6.210 0.000 1.750) 6.452 11.349 ( 5.632 0.000 8.007) 9.790 11.398 ( 1.133 0.000 8.987) 9.059 11.437 ( 7.143 0.000 0.958) 7.207 11.530 ( -2.218 0.000 -1.883) 2.910 11.909 ( 5.823 0.000 4.163) 7.158 11.911 ( 8.952 0.000 5.352) 10.430 12.070 ( -10.404 0.000 1.371) 10.494 12.101 ( -10.026 0.000 1.480) 10.135 12.601 ( 2.885 0.000 -7.091) 7.655 12.648 ( -1.719 0.000 -10.246) 10.389 13.522 ( 2.651 0.000 -8.704) 9.099 13.589 ( -3.913 0.000 -9.714) 10.472 14.144 ( 2.005 0.000 0.626) 2.100 14.175 ( -0.848 0.000 0.138) 0.859 14.261 ( 6.927 0.000 3.621) 7.816 14.395 ( -6.409 0.000 2.522) 6.887 14.503 ( 0.943 0.000 2.310) 2.495 14.513 ( -0.020 0.000 2.181) 2.181 15.325 ( 1.589 0.000 -6.676) 6.862 15.376 ( -3.082 0.000 -6.491) 7.185 16.269 ( 8.850 0.000 17.800) 19.879 16.414 ( -5.339 0.000 15.424) 16.322 18.967 ( 2.830 0.000 -13.047) 13.350 19.091 ( -9.198 0.000 -14.659) 17.306 19.093 ( 6.272 0.000 0.880) 6.334 19.226 ( -7.430 0.000 -3.581) 8.248 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.000 7.633 20.234) 21.626 1.997 ( 0.000 6.723 16.969) 18.252 2.521 ( 0.000 -1.908 -13.791) 13.922 2.585 ( 0.000 -1.465 -0.885) 1.711 2.801 ( 0.000 -9.688 -4.925) 10.868 2.973 ( 0.000 -1.382 0.303) 1.415 3.025 ( 0.000 2.619 -9.088) 9.458 3.083 ( 0.000 2.384 -7.130) 7.518 3.207 ( 0.000 1.976 -3.811) 4.293 3.452 ( 0.000 -4.873 -2.098) 5.305 3.560 ( 0.000 -4.808 16.566) 17.249 4.356 ( 0.000 -11.968 -7.882) 14.330 4.658 ( 0.000 16.700 8.858) 18.903 5.398 ( 0.000 13.865 -6.151) 15.168 5.702 ( 0.000 -3.566 -5.563) 6.608 5.943 ( 0.000 -4.478 -9.487) 10.491 6.000 ( 0.000 1.593 15.483) 15.565 6.352 ( 0.000 1.080 15.018) 15.057 6.565 ( 0.000 8.034 20.261) 21.796 7.003 ( 0.000 20.213 0.690) 20.225 7.475 ( 0.000 -1.877 14.754) 14.873 7.546 ( 0.000 0.279 -23.106) 23.107 8.239 ( 0.000 1.776 -1.859) 2.571 8.336 ( 0.000 2.578 -7.865) 8.277 8.397 ( 0.000 -13.778 13.334) 19.173 8.553 ( 0.000 -1.782 -10.258) 10.412 8.887 ( 0.000 7.385 -4.209) 8.500 8.904 ( 0.000 9.210 5.548) 10.752 9.736 ( 0.000 -13.895 -0.752) 13.915 9.749 ( 0.000 -2.882 -10.548) 10.935 9.899 ( 0.000 5.506 -9.218) 10.737 10.174 ( 0.000 3.380 -8.341) 8.999 10.260 ( 0.000 -1.815 6.180) 6.441 10.509 ( 0.000 -5.930 5.045) 7.785 10.601 ( 0.000 -4.103 7.836) 8.845 10.948 ( 0.000 4.740 -1.827) 5.080 11.029 ( 0.000 4.620 -2.200) 5.117 11.314 ( 0.000 0.210 -14.981) 14.983 11.565 ( 0.000 5.461 17.435) 18.270 11.649 ( 0.000 -5.880 0.171) 5.882 12.373 ( 0.000 -1.266 -2.165) 2.508 12.530 ( 0.000 0.676 -14.684) 14.700 12.589 ( 0.000 -4.580 -10.084) 11.076 12.985 ( 0.000 -1.760 -10.600) 10.745 13.494 ( 0.000 6.052 4.602) 7.603 13.709 ( 0.000 3.293 -2.419) 4.086 14.036 ( 0.000 -1.872 3.002) 3.538 14.151 ( 0.000 3.763 -1.104) 3.922 14.236 ( 0.000 -2.265 -6.156) 6.560 14.365 ( 0.000 3.403 1.743) 3.823 14.386 ( 0.000 0.993 -3.342) 3.486 14.492 ( 0.000 0.092 -2.349) 2.351 15.386 ( 0.000 -1.827 6.795) 7.037 15.589 ( 0.000 -5.396 0.622) 5.432 15.761 ( 0.000 4.824 19.619) 20.204 16.343 ( 0.000 -3.399 3.129) 4.620 18.853 ( 0.000 0.893 16.720) 16.744 19.340 ( 0.000 -0.373 -1.190) 1.247 19.448 ( 0.000 -10.312 -2.791) 10.683 19.605 ( 0.000 -3.934 -6.093) 7.253 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 5.335 7.163 14.101) 16.691 2.053 ( 5.225 6.491 16.165) 18.186 2.504 ( -2.632 -0.067 -11.877) 12.165 2.565 ( -1.217 -1.152 -2.328) 2.868 2.769 ( -3.104 -9.066 -1.962) 9.781 2.941 ( -1.189 -4.212 -0.660) 4.426 3.031 ( -0.661 2.974 -8.424) 8.958 3.147 ( 2.701 3.825 -6.610) 8.100 3.237 ( 4.768 -0.017 -3.444) 5.882 3.413 ( -3.363 -4.298 -2.811) 6.138 3.629 ( 7.766 -5.288 16.063) 18.609 4.301 ( -5.311 -11.580 -6.738) 14.412 4.728 ( 6.817 17.215 8.617) 20.423 5.437 ( 3.650 14.658 -5.524) 16.084 5.729 ( 2.441 -3.853 0.171) 4.565 5.916 ( -4.532 0.511 15.493) 16.151 5.993 ( 2.662 -3.419 -5.836) 7.269 6.438 ( 7.600 -1.177 7.834) 10.978 6.576 ( 1.851 9.691 14.207) 17.297 6.982 ( -1.875 18.821 -0.673) 18.926 7.444 ( -3.408 -6.623 7.392) 10.494 7.598 ( 3.413 3.119 -14.322) 15.050 8.208 ( -4.531 0.419 0.467) 4.574 8.300 ( -3.251 -3.416 1.791) 5.044 8.323 ( -5.689 3.009 0.280) 6.442 8.481 ( -8.898 -3.945 -14.141) 17.167 8.695 ( -1.644 4.904 -5.505) 7.554 9.104 ( -9.518 7.731 -2.258) 12.468 9.515 ( 1.244 0.679 -4.611) 4.823 9.731 ( -4.651 -8.715 5.077) 11.107 9.856 ( -3.885 2.313 -4.342) 6.269 10.152 ( -0.422 -8.312 -0.136) 8.324 10.290 ( -7.992 -1.689 1.338) 8.277 10.520 ( 12.025 7.901 -5.565) 15.427 10.792 ( 8.519 -6.965 10.681) 15.335 10.974 ( 4.037 4.783 0.909) 6.325 11.092 ( 5.408 1.888 -0.875) 5.794 11.296 ( 0.305 0.405 -11.654) 11.665 11.606 ( 3.807 4.759 14.045) 15.310 11.685 ( 3.127 -4.984 0.996) 5.967 12.370 ( -0.626 -2.200 -1.825) 2.926 12.493 ( -2.682 -1.833 -16.640) 16.954 12.545 ( -4.539 -3.440 -9.070) 10.710 12.916 ( -6.994 -2.723 -10.501) 12.907 13.521 ( 2.320 6.146 2.765) 7.128 13.708 ( -0.136 3.381 -2.905) 4.460 14.031 ( 0.077 -0.712 3.566) 3.637 14.140 ( -0.293 3.913 -0.680) 3.982 14.210 ( -2.078 -0.972 -4.060) 4.663 14.394 ( 2.479 2.629 0.365) 3.632 14.410 ( 1.592 -0.807 -2.765) 3.291 14.511 ( 1.760 1.239 -2.854) 3.574 15.416 ( 2.424 -1.972 5.442) 6.275 15.549 ( -3.764 -2.532 2.913) 5.391 15.820 ( 5.067 1.462 16.204) 17.040 16.326 ( -0.934 -3.746 4.485) 5.918 18.867 ( 1.472 0.724 15.291) 15.378 19.283 ( -5.701 -0.159 -1.961) 6.031 19.435 ( -1.747 -9.687 -4.824) 10.961 19.569 ( -3.599 -3.948 -6.226) 8.203 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 2.080 6.829 7.649) 10.463 2.166 ( 6.520 5.244 5.055) 9.775 2.412 ( -5.928 4.361 -6.380) 9.740 2.551 ( -0.546 -0.205 -5.680) 5.710 2.711 ( -1.906 -8.194 3.665) 9.176 2.934 ( -0.335 -4.681 0.662) 4.739 2.978 ( -3.384 -0.428 -5.295) 6.299 3.160 ( -0.664 1.359 -2.889) 3.261 3.353 ( 1.931 0.006 -2.655) 3.283 3.379 ( 3.386 -1.480 -6.247) 7.259 3.856 ( 14.625 -9.073 11.721) 20.823 4.178 ( -6.212 -11.632 -3.173) 13.563 4.899 ( 10.191 19.121 8.046) 23.113 5.514 ( 3.415 17.210 -3.713) 17.934 5.783 ( 3.281 -2.651 10.563) 11.374 5.857 ( -0.524 -0.452 14.994) 15.010 6.080 ( 6.995 -4.154 -4.681) 9.386 6.605 ( 5.452 0.696 -1.957) 5.835 6.670 ( 11.650 6.305 0.932) 13.279 6.951 ( -0.942 14.594 -1.273) 14.680 7.319 ( -9.519 -9.425 7.546) 15.375 7.614 ( -3.221 2.927 -15.913) 16.498 8.051 ( -11.035 7.238 -5.091) 14.144 8.124 ( -13.667 -4.633 -12.478) 19.078 8.215 ( -11.119 5.636 2.647) 12.744 8.373 ( -3.349 -2.864 -5.889) 7.355 8.550 ( -15.533 5.167 -12.822) 20.794 8.864 ( 2.931 7.939 0.234) 8.466 9.638 ( -4.121 -6.757 5.450) 9.610 9.690 ( -1.501 -2.485 -5.593) 6.301 9.843 ( 11.866 3.389 11.435) 16.824 10.054 ( -9.810 -5.243 -1.831) 11.273 10.219 ( -0.705 3.627 -2.291) 4.347 10.661 ( 2.580 7.742 -4.204) 9.180 10.932 ( 8.529 -4.796 9.905) 13.923 11.115 ( 9.487 2.770 2.791) 10.269 11.209 ( 6.515 -0.690 4.268) 7.819 11.372 ( 6.213 -1.126 -5.828) 8.593 11.687 ( 3.892 0.100 9.817) 10.560 11.747 ( 2.980 -1.428 1.410) 3.593 12.338 ( -2.693 -2.835 -2.296) 4.534 12.422 ( -7.394 -2.400 -6.938) 10.419 12.464 ( -0.884 -6.315 -15.849) 17.083 12.739 ( -9.966 -4.703 -10.161) 14.989 13.560 ( 1.364 6.751 -1.438) 7.036 13.706 ( 0.004 3.279 -4.236) 5.357 14.056 ( 2.200 0.081 2.233) 3.136 14.150 ( 0.911 2.103 0.024) 2.292 14.173 ( -0.977 1.656 -1.291) 2.316 14.433 ( 1.090 -1.800 -1.004) 2.332 14.449 ( 2.771 1.737 0.011) 3.271 14.543 ( 1.157 2.247 -2.316) 3.428 15.436 ( -2.692 -1.532 3.856) 4.946 15.471 ( -1.993 0.847 0.672) 2.268 15.927 ( 5.816 -1.781 15.085) 16.265 16.336 ( 1.925 -5.638 6.950) 9.154 18.909 ( 2.807 0.168 11.301) 11.645 19.141 ( -8.214 0.442 -4.479) 9.367 19.365 ( -5.683 -7.938 -8.603) 13.012 19.473 ( -6.198 -3.859 -6.492) 9.770 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -4.880 7.381 -0.930) 8.897 2.205 ( -5.784 3.554 -6.108) 9.132 2.371 ( 4.908 7.419 -2.063) 9.131 2.540 ( -0.595 0.992 -7.462) 7.552 2.713 ( 1.353 -5.118 5.996) 7.999 2.923 ( -0.039 -3.572 3.202) 4.798 2.948 ( -0.029 -2.837 0.452) 2.873 3.134 ( -1.667 -0.663 0.699) 1.925 3.352 ( 0.017 -0.783 -3.848) 3.927 3.443 ( 0.374 0.875 -6.820) 6.886 4.079 ( 3.573 -14.955 7.365) 17.049 4.154 ( 7.393 -14.640 6.147) 17.515 5.101 ( 10.429 20.922 6.635) 24.301 5.539 ( -1.479 21.014 -1.907) 21.152 5.845 ( 5.177 0.601 9.590) 10.915 5.974 ( 12.642 -3.821 6.756) 14.835 6.259 ( 10.395 -4.215 0.156) 11.218 6.676 ( 3.754 4.967 -3.028) 6.923 6.922 ( 1.963 5.841 -5.416) 8.204 6.988 ( 12.427 3.285 -8.258) 15.278 7.113 ( -9.143 -6.078 4.786) 11.977 7.390 ( -20.589 -1.773 -21.272) 29.657 7.700 ( -29.629 -2.572 -11.592) 31.919 7.855 ( -10.568 2.516 -13.527) 17.349 7.944 ( -6.047 10.258 -0.764) 11.932 8.186 ( -9.525 14.224 -6.209) 18.210 8.622 ( 11.601 0.122 3.989) 12.268 8.991 ( 7.468 5.709 -0.611) 9.420 9.481 ( -9.240 -4.068 7.156) 12.375 9.676 ( -6.463 -0.650 -1.357) 6.636 9.832 ( -3.750 -2.217 -2.406) 4.977 10.075 ( 5.872 -3.434 -4.479) 8.144 10.260 ( 6.105 8.324 5.322) 11.614 10.654 ( -2.588 7.847 -1.044) 8.328 11.135 ( 11.293 -5.815 7.284) 14.642 11.300 ( 8.513 1.781 2.356) 9.011 11.344 ( 7.453 1.113 7.982) 10.977 11.473 ( 3.317 -1.434 -2.058) 4.159 11.749 ( 3.089 -4.683 7.906) 9.694 11.798 ( 2.617 -0.163 0.767) 2.732 12.233 ( -8.475 -3.177 -3.544) 9.720 12.266 ( -9.386 -1.669 -2.085) 9.758 12.457 ( 0.806 -8.878 -9.383) 12.942 12.598 ( -3.911 -7.283 -11.519) 14.178 13.576 ( 0.696 7.237 -5.462) 9.093 13.697 ( -1.324 3.939 -7.167) 8.284 14.087 ( 0.892 -1.291 -0.264) 1.591 14.152 ( -0.009 -1.962 -0.803) 2.120 14.215 ( 4.369 5.183 3.295) 7.537 14.452 ( 0.761 -1.248 0.299) 1.492 14.492 ( 1.419 1.298 1.255) 2.296 14.542 ( -1.360 2.030 0.184) 2.451 15.366 ( -2.199 2.272 -0.773) 3.255 15.449 ( -1.570 1.948 -1.933) 3.161 16.048 ( 6.919 -4.583 16.196) 18.198 16.368 ( 0.333 -7.832 10.289) 12.935 18.971 ( 2.601 -0.768 4.101) 4.916 19.006 ( -3.700 0.785 -6.892) 7.861 19.222 ( -8.557 -5.429 -11.594) 15.399 19.338 ( -7.416 -3.439 -6.276) 10.305 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -1.387 8.081 -4.385) 9.298 2.070 ( -5.655 6.905 -5.855) 10.674 2.484 ( 4.584 3.285 -8.933) 10.564 2.530 ( -0.795 1.345 -9.408) 9.536 2.750 ( 3.364 -0.582 6.091) 6.982 2.850 ( -5.881 -1.096 4.397) 7.424 3.022 ( 5.000 -3.259 5.097) 7.849 3.097 ( -2.558 -3.415 3.585) 5.573 3.365 ( 1.472 -0.234 -4.450) 4.693 3.408 ( -2.769 0.620 -6.029) 6.664 4.160 ( 5.490 -17.935 10.163) 21.333 4.236 ( -0.746 -18.694 10.827) 21.616 5.292 ( 9.164 21.945 4.293) 24.166 5.451 ( -7.023 22.668 1.291) 23.766 6.058 ( 15.744 -2.166 -0.529) 15.901 6.239 ( 6.388 -6.581 1.445) 9.284 6.452 ( 12.880 0.800 3.504) 13.372 6.760 ( 4.474 3.501 -6.976) 8.997 6.833 ( -17.349 2.957 -1.665) 17.678 6.879 ( -9.225 0.954 -9.641) 13.378 6.999 ( -5.399 0.579 -15.617) 16.534 7.164 ( -18.173 -2.810 -13.246) 22.663 7.376 ( 15.551 -2.928 -5.538) 16.766 7.662 ( -12.250 -4.139 -8.097) 15.256 7.910 ( 2.336 17.920 -6.160) 19.093 8.012 ( -7.803 18.259 -7.222) 21.129 8.875 ( 13.755 0.981 6.078) 15.070 9.078 ( -2.657 2.472 1.748) 4.028 9.332 ( -2.225 0.387 6.927) 7.286 9.448 ( -11.015 2.586 1.463) 11.409 9.929 ( 7.953 -4.505 -7.181) 11.624 10.063 ( -4.990 -5.150 -10.279) 12.533 10.428 ( 8.953 8.958 6.110) 14.062 10.572 ( -5.858 8.268 2.055) 10.339 11.327 ( 7.905 -5.168 5.648) 11.004 11.409 ( 1.106 -3.363 4.258) 5.537 11.453 ( 3.470 4.560 7.147) 9.160 11.497 ( -0.493 0.839 0.887) 1.317 11.841 ( 6.790 -5.047 3.746) 9.253 11.872 ( 5.189 -2.983 0.377) 5.997 12.051 ( -9.273 -2.520 1.100) 9.672 12.067 ( -9.435 -2.608 0.329) 9.794 12.498 ( 2.812 -9.407 -7.616) 12.425 12.548 ( -2.264 -8.839 -9.952) 13.502 13.601 ( 2.103 6.840 -8.164) 10.856 13.653 ( -2.914 5.567 -9.054) 11.021 14.110 ( 1.630 -2.598 -0.260) 3.078 14.141 ( -1.277 -2.907 -0.574) 3.226 14.317 ( 5.873 4.245 3.438) 8.021 14.425 ( -4.457 2.315 2.243) 5.500 14.505 ( 0.782 0.135 2.103) 2.248 14.521 ( -0.599 0.707 2.070) 2.268 15.366 ( 1.730 3.956 -4.461) 6.208 15.410 ( -2.399 3.428 -4.499) 6.143 16.193 ( 7.726 -7.027 16.586) 19.601 16.323 ( -5.027 -8.363 14.336) 17.342 18.962 ( 1.862 -0.274 -11.755) 11.905 19.058 ( -6.499 -2.560 -12.255) 14.106 19.075 ( 4.596 -1.748 -1.181) 5.057 19.197 ( -7.008 -2.753 -4.327) 8.684 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.000 6.404 11.319) 13.005 2.170 ( 0.000 7.916 11.181) 13.700 2.496 ( 0.000 -2.858 -2.964) 4.118 2.563 ( 0.000 3.837 2.291) 4.469 2.591 ( 0.000 -8.979 2.272) 9.262 2.974 ( 0.000 2.241 0.042) 2.241 2.979 ( 0.000 -7.355 -5.297) 9.064 3.152 ( 0.000 2.405 -3.678) 4.395 3.238 ( 0.000 0.391 -14.216) 14.222 3.292 ( 0.000 -9.245 -8.757) 12.734 3.551 ( 0.000 5.924 -1.048) 6.016 4.069 ( 0.000 -14.560 -8.826) 17.026 5.063 ( 0.000 19.134 5.373) 19.874 5.587 ( 0.000 -6.118 -2.298) 6.535 5.710 ( 0.000 12.342 -9.248) 15.422 5.897 ( 0.000 -0.349 -8.046) 8.053 6.050 ( 0.000 3.607 21.583) 21.882 6.314 ( 0.000 -4.344 25.390) 25.759 6.825 ( 0.000 15.408 19.785) 25.077 7.332 ( 0.000 -2.594 13.729) 13.972 7.565 ( 0.000 2.641 -14.894) 15.126 7.613 ( 0.000 25.142 0.546) 25.148 8.043 ( 0.000 -16.204 10.795) 19.471 8.332 ( 0.000 3.963 -3.220) 5.106 8.365 ( 0.000 -1.893 -7.749) 7.977 8.501 ( 0.000 -3.042 -10.355) 10.793 9.002 ( 0.000 3.592 -9.869) 10.503 9.072 ( 0.000 3.779 1.659) 4.127 9.497 ( 0.000 -6.085 -0.982) 6.164 9.653 ( 0.000 -6.036 -4.233) 7.372 10.037 ( 0.000 6.814 -5.137) 8.534 10.196 ( 0.000 -1.035 -5.607) 5.702 10.215 ( 0.000 -2.040 8.099) 8.352 10.356 ( 0.000 -7.588 6.350) 9.895 10.569 ( 0.000 2.352 0.377) 2.382 10.902 ( 0.000 -8.365 -4.459) 9.480 11.147 ( 0.000 6.427 -1.886) 6.697 11.409 ( 0.000 3.676 -9.987) 10.642 11.518 ( 0.000 -2.348 -2.711) 3.586 11.669 ( 0.000 2.795 9.201) 9.616 12.351 ( 0.000 -0.245 -2.122) 2.136 12.477 ( 0.000 -5.421 -4.394) 6.978 12.579 ( 0.000 4.544 -12.150) 12.972 12.896 ( 0.000 -6.802 -10.045) 12.131 13.647 ( 0.000 7.651 1.963) 7.899 13.787 ( 0.000 2.987 -3.689) 4.746 14.014 ( 0.000 0.206 5.455) 5.459 14.162 ( 0.000 -4.437 -2.723) 5.205 14.250 ( 0.000 5.491 -1.603) 5.720 14.408 ( 0.000 0.235 -2.302) 2.314 14.437 ( 0.000 2.998 -0.092) 2.999 14.488 ( 0.000 -0.355 -3.057) 3.077 15.343 ( 0.000 -1.725 4.273) 4.608 15.451 ( 0.000 -6.836 1.548) 7.009 15.903 ( 0.000 8.189 16.629) 18.536 16.239 ( 0.000 -6.359 7.498) 9.831 18.892 ( 0.000 3.195 12.398) 12.803 19.203 ( 0.000 -11.534 2.578) 11.819 19.344 ( 0.000 1.091 -3.225) 3.404 19.500 ( 0.000 -5.505 -5.806) 8.000 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 3.977 5.204 12.082) 13.744 2.211 ( 3.461 6.581 6.508) 9.881 2.499 ( 0.185 -1.461 -1.514) 2.112 2.565 ( -0.095 -0.705 0.305) 0.774 2.602 ( 1.124 -1.547 2.487) 3.137 2.863 ( -5.214 -2.737 -0.918) 5.960 3.054 ( -0.217 -1.254 -7.323) 7.433 3.146 ( -2.399 -5.022 3.239) 6.440 3.248 ( 4.305 0.549 -10.737) 11.581 3.301 ( 1.574 -4.638 -11.879) 12.849 3.591 ( 3.947 3.819 -1.623) 5.727 4.030 ( -3.886 -13.305 -8.026) 16.017 5.139 ( 7.638 18.907 5.731) 21.182 5.619 ( 3.246 -5.600 1.007) 6.551 5.768 ( 5.681 13.644 -7.729) 16.678 5.925 ( 1.380 0.885 2.150) 2.704 5.988 ( -3.850 2.727 14.144) 14.910 6.356 ( 4.455 -6.431 14.962) 16.884 6.843 ( 1.826 14.386 17.917) 23.050 7.297 ( -5.550 -6.894 11.833) 14.776 7.421 ( -6.824 17.443 -8.662) 20.636 7.727 ( 4.327 11.900 -7.364) 14.648 8.027 ( -1.468 -13.841 6.598) 15.403 8.324 ( -0.147 2.406 -3.976) 4.650 8.342 ( -5.181 -3.579 -7.542) 9.825 8.417 ( -6.341 0.798 -5.725) 8.581 8.868 ( -3.136 8.830 -9.293) 13.197 9.190 ( -4.348 -2.111 -3.987) 6.266 9.528 ( -4.134 0.371 -5.591) 6.963 9.605 ( 5.441 0.642 2.136) 5.881 9.837 ( -13.108 -5.444 -0.501) 14.203 9.986 ( -3.247 -7.385 -0.542) 8.086 10.311 ( 1.749 4.406 3.973) 6.186 10.608 ( 10.780 -8.466 10.663) 17.366 10.678 ( 11.454 6.193 -3.767) 13.555 10.960 ( 5.772 -6.269 -1.895) 8.730 11.155 ( 1.144 5.561 -1.194) 5.801 11.415 ( 0.701 6.222 -8.499) 10.556 11.523 ( 0.915 -4.655 -0.679) 4.793 11.719 ( 4.551 2.011 6.571) 8.242 12.329 ( -1.913 -1.156 -2.304) 3.210 12.415 ( -5.612 -4.938 -7.519) 10.602 12.524 ( -5.520 2.500 -10.541) 12.159 12.811 ( -8.428 -7.190 -9.487) 14.585 13.673 ( 2.402 7.423 0.780) 7.841 13.787 ( -0.016 3.232 -3.973) 5.122 14.026 ( 1.124 0.385 4.004) 4.176 14.151 ( -0.999 -3.496 -2.338) 4.323 14.253 ( 0.506 5.456 -0.882) 5.550 14.400 ( -0.357 -0.594 -1.106) 1.305 14.459 ( 2.014 3.112 -1.005) 3.841 14.529 ( 3.073 0.250 -3.380) 4.575 15.366 ( 2.184 -2.053 4.550) 5.448 15.457 ( 0.463 -5.513 1.696) 5.786 15.905 ( 0.261 6.394 15.869) 17.111 16.216 ( -2.003 -6.564 7.803) 10.392 18.902 ( 0.974 2.952 11.088) 11.515 19.199 ( -0.814 -10.872 0.785) 10.931 19.296 ( -4.647 1.264 -3.982) 6.249 19.463 ( -3.738 -5.646 -6.016) 9.058 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 1.312 3.304 7.854) 8.622 2.298 ( 5.021 4.453 2.915) 7.317 2.506 ( 0.882 4.236 -1.015) 4.445 2.551 ( -1.199 -3.730 1.733) 4.284 2.623 ( 0.823 5.871 -0.962) 6.006 2.790 ( -2.070 -6.265 2.627) 7.102 2.964 ( -6.149 -2.725 -3.877) 7.763 3.101 ( -2.085 -6.605 -2.362) 7.318 3.339 ( 2.600 -0.372 -8.850) 9.231 3.381 ( 6.244 -0.295 -4.701) 7.821 3.698 ( 6.818 -3.438 -1.748) 7.833 3.928 ( -6.278 -11.002 -5.654) 13.872 5.339 ( 12.160 18.923 6.141) 23.317 5.707 ( 6.077 -4.014 8.521) 11.209 5.864 ( -1.487 9.832 15.835) 18.698 5.916 ( 6.139 11.253 -1.971) 12.970 6.034 ( 6.787 -0.964 -2.704) 7.369 6.503 ( 10.627 -8.225 -3.129) 13.798 6.881 ( 1.643 9.465 12.179) 15.512 7.115 ( -10.614 -4.637 4.211) 12.324 7.324 ( -5.000 14.322 -5.681) 16.198 7.701 ( -8.878 5.457 -15.337) 18.543 7.955 ( -7.281 -9.599 -5.827) 13.383 8.083 ( -18.346 -5.484 -14.873) 24.246 8.318 ( -1.378 5.782 1.631) 6.164 8.430 ( 6.809 4.433 10.451) 13.237 8.737 ( -14.045 13.325 -13.835) 23.796 9.042 ( 0.558 7.648 0.386) 7.678 9.477 ( -1.064 -7.441 3.222) 8.178 9.582 ( -8.077 -8.995 -2.767) 12.402 9.856 ( 11.404 -0.491 -2.480) 11.681 9.950 ( -3.862 -3.982 -3.175) 6.392 10.374 ( 4.812 9.203 7.438) 12.774 10.746 ( 6.585 -8.004 6.559) 12.266 10.867 ( 5.827 7.293 4.748) 10.473 11.097 ( 7.051 -4.908 1.098) 8.661 11.220 ( 6.531 3.919 1.375) 7.740 11.455 ( 3.746 5.141 -3.426) 7.225 11.553 ( 2.128 -5.723 0.447) 6.122 11.812 ( 4.213 1.703 3.635) 5.819 12.271 ( -5.102 -3.563 -3.998) 7.397 12.314 ( -3.340 -5.416 -11.064) 12.763 12.381 ( -8.636 -0.645 -7.956) 11.760 12.600 ( -12.307 -8.113 -8.404) 16.968 13.723 ( 2.225 7.503 -2.112) 8.107 13.788 ( 0.174 3.849 -4.696) 6.074 14.049 ( 0.917 -0.591 0.583) 1.237 14.127 ( -1.546 -2.662 -2.147) 3.753 14.275 ( 1.848 5.478 1.044) 5.874 14.404 ( 0.891 -1.062 -0.065) 1.387 14.502 ( 2.078 2.942 -0.754) 3.680 14.576 ( 1.335 0.570 -2.704) 3.069 15.408 ( 1.590 -0.587 5.183) 5.454 15.472 ( 1.640 -1.246 1.537) 2.570 15.915 ( 0.706 1.637 14.285) 14.396 16.181 ( -1.375 -8.458 8.137) 11.817 18.927 ( 1.598 1.975 7.485) 7.905 19.144 ( -5.508 -3.751 -3.480) 7.518 19.195 ( -4.715 -3.161 -5.745) 8.076 19.365 ( -6.111 -5.873 -6.439) 10.644 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -1.657 4.795 5.518) 7.496 2.327 ( -2.949 7.817 -0.463) 8.367 2.544 ( 2.769 3.827 -0.874) 4.804 2.551 ( 1.576 -0.503 -0.233) 1.670 2.640 ( 1.530 3.855 -1.515) 4.416 2.772 ( -0.487 -7.882 5.275) 9.497 2.900 ( 0.132 -3.893 -2.214) 4.480 3.061 ( -2.106 -6.573 -1.905) 7.160 3.371 ( 1.038 2.635 -4.999) 5.746 3.463 ( 1.552 0.601 -3.082) 3.503 3.802 ( -0.451 -9.975 0.982) 10.034 3.832 ( 0.708 -13.565 -1.206) 13.637 5.561 ( 10.388 18.316 5.965) 21.885 5.859 ( 6.007 -0.408 10.193) 11.839 5.912 ( 12.083 4.409 6.674) 14.491 6.015 ( 2.083 18.105 0.186) 18.225 6.224 ( 11.919 0.803 -0.344) 11.951 6.708 ( 7.923 -3.380 -7.609) 11.493 6.903 ( -0.729 -3.062 -6.607) 7.319 6.971 ( -1.090 -6.011 7.208) 9.449 7.207 ( -6.964 11.753 -10.100) 16.989 7.386 ( -20.203 1.772 -25.410) 32.511 7.622 ( -28.011 -4.120 -13.114) 31.202 7.767 ( -11.391 -7.104 -8.824) 16.065 8.313 ( 1.546 16.675 7.327) 18.279 8.539 ( -5.947 18.515 -3.471) 19.754 8.626 ( 12.274 1.252 10.432) 16.157 9.118 ( 3.766 3.857 -1.911) 5.719 9.370 ( -5.161 -4.841 4.477) 8.373 9.606 ( 5.342 -7.277 -2.268) 9.308 9.811 ( -9.125 1.561 -2.645) 9.628 9.984 ( 1.418 -4.522 -8.996) 10.168 10.496 ( 7.777 12.147 10.493) 17.836 10.829 ( -0.096 5.109 1.616) 5.359 10.985 ( 8.507 -5.156 10.150) 14.212 11.202 ( 3.664 -7.870 3.944) 9.535 11.391 ( 9.761 3.086 3.645) 10.867 11.551 ( 5.824 2.698 2.757) 6.986 11.617 ( 4.966 -2.271 -1.612) 5.694 11.851 ( -0.499 3.808 1.248) 4.038 12.161 ( -7.674 -3.993 -5.027) 10.006 12.218 ( -9.045 -4.124 -5.710) 11.464 12.228 ( -4.138 -8.257 -9.674) 13.374 12.400 ( -6.587 -10.948 -8.556) 15.377 13.750 ( 0.888 8.230 -5.202) 9.776 13.796 ( 0.473 4.865 -6.010) 7.747 14.051 ( -0.639 -2.189 -2.040) 3.060 14.095 ( -1.634 -3.384 -2.341) 4.427 14.328 ( 3.617 4.967 2.755) 6.734 14.434 ( 2.149 -0.700 1.114) 2.520 14.527 ( 0.310 1.875 0.361) 1.935 14.573 ( -1.585 0.607 -0.442) 1.754 15.439 ( 2.319 4.680 3.357) 6.209 15.515 ( 2.097 3.768 1.551) 4.582 15.935 ( 1.709 -4.894 13.422) 14.388 16.153 ( -2.097 -11.694 9.146) 14.993 18.963 ( 2.059 0.230 2.528) 3.268 19.029 ( -4.872 1.121 -7.486) 9.002 19.103 ( -5.152 -4.468 -8.227) 10.686 19.238 ( -6.647 -5.610 -6.618) 10.929 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -0.092 8.835 3.865) 9.644 2.248 ( -3.563 10.058 1.930) 10.844 2.573 ( 0.827 -0.383 -1.904) 2.111 2.580 ( 0.343 5.042 -8.323) 9.737 2.698 ( 3.807 -2.038 2.591) 5.036 2.754 ( -1.704 -6.110 4.550) 7.806 2.946 ( 3.665 -4.404 0.006) 5.730 3.014 ( -2.964 -5.434 -0.653) 6.224 3.394 ( 1.666 3.611 -2.410) 4.650 3.441 ( -2.822 3.074 -2.850) 5.053 3.797 ( 2.115 -15.125 4.164) 15.830 3.846 ( -1.603 -16.662 4.030) 17.217 5.759 ( 10.229 18.861 4.235) 21.870 5.936 ( -6.326 19.956 2.805) 21.121 6.049 ( 11.053 1.277 3.336) 11.616 6.167 ( 6.109 0.032 2.913) 6.768 6.471 ( 14.502 2.613 -0.014) 14.735 6.752 ( -9.316 -3.158 -5.023) 11.045 6.835 ( 2.323 0.664 -10.684) 10.954 6.918 ( -9.039 -3.919 -17.364) 19.964 7.067 ( -6.429 6.962 -14.267) 17.127 7.122 ( -17.549 0.271 -11.625) 21.052 7.270 ( 10.459 -6.677 -9.023) 15.342 7.526 ( -13.483 -8.892 -8.258) 18.140 8.368 ( 3.765 22.088 4.750) 22.905 8.448 ( -4.294 21.630 1.477) 22.101 8.874 ( 12.651 -1.988 8.951) 15.624 9.082 ( -7.793 -4.465 5.019) 10.289 9.384 ( 6.399 6.195 -0.273) 8.910 9.555 ( -10.005 7.504 -2.363) 12.728 9.798 ( 7.414 -7.910 -4.703) 11.817 9.935 ( -5.604 -7.123 -8.104) 12.158 10.651 ( 7.606 11.470 8.120) 15.980 10.774 ( -4.853 9.850 5.094) 12.105 11.145 ( 6.751 -10.921 7.638) 14.939 11.226 ( -1.471 -11.492 6.511) 13.290 11.559 ( 7.142 5.530 4.643) 10.156 11.638 ( 0.644 8.541 4.123) 9.505 11.756 ( 9.276 -1.380 -2.324) 9.661 11.840 ( 2.027 0.653 -3.715) 4.282 11.977 ( -10.037 -2.968 -1.749) 10.612 12.001 ( -10.673 -3.597 -2.417) 11.519 12.237 ( 3.065 -14.286 -9.261) 17.299 12.311 ( -4.043 -12.868 -8.699) 16.051 13.770 ( 1.243 8.304 -6.934) 10.889 13.793 ( -0.875 7.093 -7.406) 10.292 14.043 ( 0.246 -3.886 -2.464) 4.608 14.063 ( -1.594 -4.452 -2.608) 5.400 14.408 ( 4.386 3.869 2.925) 6.539 14.471 ( -0.013 1.508 1.736) 2.299 14.509 ( -0.903 0.373 1.906) 2.142 14.534 ( -1.874 0.314 1.470) 2.402 15.495 ( 2.961 8.354 1.090) 8.930 15.533 ( -0.547 8.447 0.825) 8.505 15.993 ( 4.353 -11.278 13.054) 17.792 16.087 ( -4.651 -13.321 11.343) 18.104 18.968 ( -0.092 0.973 -8.966) 9.019 19.009 ( -3.908 -1.445 -10.005) 10.838 19.028 ( 3.502 -2.399 -3.146) 5.283 19.118 ( -5.599 -4.398 -5.697) 9.118 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 0.000 -1.786 9.665) 9.828 2.240 ( 0.000 1.786 9.665) 9.828 2.465 ( 0.000 -2.200 0.503) 2.257 2.465 ( 0.000 2.200 0.503) 2.257 2.754 ( 0.000 -12.077 4.139) 12.767 2.754 ( 0.000 12.077 4.139) 12.767 3.079 ( 0.000 -7.430 -0.905) 7.485 3.079 ( 0.000 7.430 -0.905) 7.485 3.221 ( 0.000 -1.564 -18.947) 19.011 3.221 ( 0.000 1.564 -18.947) 19.011 3.769 ( 0.000 -13.288 -7.779) 15.398 3.769 ( 0.000 13.288 -7.779) 15.398 5.395 ( 0.000 -12.162 2.194) 12.359 5.395 ( 0.000 12.162 2.194) 12.359 5.879 ( 0.000 -3.029 -15.113) 15.414 5.879 ( 0.000 3.029 -15.113) 15.414 6.176 ( 0.000 -7.848 30.111) 31.117 6.176 ( 0.000 7.848 30.111) 31.117 7.148 ( 0.000 -13.298 20.396) 24.348 7.148 ( 0.000 13.298 20.396) 24.348 7.708 ( 0.000 -11.495 -2.004) 11.668 7.708 ( 0.000 11.495 -2.004) 11.668 8.156 ( 0.000 -19.125 -5.712) 19.960 8.156 ( 0.000 19.125 -5.712) 19.960 8.422 ( 0.000 -4.303 -4.107) 5.948 8.422 ( 0.000 4.303 -4.107) 5.948 9.055 ( 0.000 -2.270 -9.192) 9.468 9.055 ( 0.000 2.270 -9.192) 9.468 9.521 ( 0.000 -5.642 0.055) 5.642 9.521 ( 0.000 5.642 0.055) 5.642 10.147 ( 0.000 -3.216 -2.125) 3.855 10.147 ( 0.000 3.216 -2.125) 3.855 10.227 ( 0.000 -4.121 6.626) 7.803 10.227 ( 0.000 4.121 6.626) 7.803 10.699 ( 0.000 -9.156 -4.663) 10.275 10.699 ( 0.000 9.156 -4.663) 10.275 11.296 ( 0.000 -7.675 -0.807) 7.717 11.296 ( 0.000 7.675 -0.807) 7.717 11.638 ( 0.000 -5.720 -4.404) 7.219 11.638 ( 0.000 5.720 -4.404) 7.219 12.382 ( 0.000 -3.272 -0.776) 3.363 12.382 ( 0.000 3.272 -0.776) 3.363 12.723 ( 0.000 -8.600 -9.921) 13.130 12.723 ( 0.000 8.600 -9.921) 13.130 13.779 ( 0.000 -4.030 -1.514) 4.305 13.779 ( 0.000 4.030 -1.514) 4.305 14.065 ( 0.000 -4.290 1.828) 4.663 14.065 ( 0.000 4.290 1.828) 4.663 14.362 ( 0.000 -4.463 -1.943) 4.868 14.362 ( 0.000 4.463 -1.943) 4.868 14.479 ( 0.000 -0.923 -1.494) 1.757 14.479 ( 0.000 0.923 -1.494) 1.757 15.345 ( 0.000 -2.546 2.528) 3.588 15.345 ( 0.000 2.546 2.528) 3.588 16.082 ( 0.000 -8.362 12.438) 14.987 16.082 ( 0.000 8.362 12.438) 14.987 19.001 ( 0.000 -7.378 7.433) 10.473 19.001 ( 0.000 7.378 7.433) 10.473 19.396 ( 0.000 -3.916 -4.971) 6.328 19.396 ( 0.000 3.916 -4.971) 6.328 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 1.892 -1.606 9.801) 10.110 2.260 ( 1.892 1.606 9.801) 10.110 2.488 ( 2.225 -1.529 0.163) 2.705 2.488 ( 2.225 1.529 0.163) 2.705 2.759 ( -0.038 -8.904 0.242) 8.907 2.759 ( -0.038 8.904 0.242) 8.907 3.037 ( -4.288 -2.898 1.584) 5.412 3.037 ( -4.288 2.898 1.584) 5.412 3.253 ( 3.725 -0.553 -16.837) 17.253 3.253 ( 3.725 0.553 -16.837) 17.253 3.766 ( -0.559 -11.341 -7.369) 13.537 3.766 ( -0.559 11.341 -7.369) 13.537 5.451 ( 5.680 -10.786 3.946) 12.813 5.451 ( 5.680 10.786 3.946) 12.813 5.926 ( 4.007 -1.886 -9.888) 10.834 5.926 ( 4.007 1.886 -9.888) 10.834 6.160 ( -0.221 -11.632 21.579) 24.516 6.160 ( -0.221 11.632 21.579) 24.516 7.121 ( -3.190 -10.723 17.159) 20.484 7.121 ( -3.190 10.723 17.159) 20.484 7.699 ( -1.126 -13.065 -3.134) 13.482 7.699 ( -1.126 13.065 -3.134) 13.482 8.104 ( -5.542 -15.676 -7.784) 18.358 8.104 ( -5.542 15.676 -7.784) 18.358 8.417 ( -0.404 -2.525 -1.113) 2.789 8.417 ( -0.404 2.525 -1.113) 2.789 9.045 ( 0.183 -8.677 -9.473) 12.847 9.045 ( 0.183 8.677 -9.473) 12.847 9.595 ( -0.740 -5.186 1.667) 5.497 9.595 ( -0.740 5.186 1.667) 5.497 9.821 ( -10.374 -7.036 -3.435) 12.996 9.821 ( -10.374 7.036 -3.435) 12.996 10.440 ( 7.076 -7.118 7.912) 12.781 10.440 ( 7.076 7.118 7.912) 12.781 10.814 ( 10.560 -6.700 -2.417) 12.738 10.814 ( 10.560 6.700 -2.417) 12.738 11.303 ( 0.718 -8.171 -0.067) 8.203 11.303 ( 0.718 8.171 -0.067) 8.203 11.658 ( 1.937 -7.577 -4.954) 9.258 11.658 ( 1.937 7.577 -4.954) 9.258 12.337 ( -4.088 -2.091 -1.864) 4.956 12.337 ( -4.088 2.091 -1.864) 4.956 12.640 ( -8.115 -7.927 -9.412) 14.740 12.640 ( -8.115 7.927 -9.412) 14.740 13.794 ( 1.408 -3.183 -2.253) 4.146 13.794 ( 1.408 3.183 -2.253) 4.146 14.067 ( 0.139 -3.668 1.074) 3.825 14.067 ( 0.139 3.668 1.074) 3.825 14.358 ( -0.134 -3.735 -0.937) 3.853 14.358 ( -0.134 3.735 -0.937) 3.853 14.513 ( 2.800 -1.815 -2.170) 3.980 14.513 ( 2.800 1.815 -2.170) 3.980 15.364 ( 2.047 -2.367 3.193) 4.471 15.364 ( 2.047 2.367 3.193) 4.471 16.061 ( -2.037 -7.857 12.026) 14.509 16.061 ( -2.037 7.857 12.026) 14.509 19.005 ( 0.301 -7.085 5.965) 9.267 19.005 ( 0.301 7.085 5.965) 9.267 19.355 ( -4.150 -4.192 -5.398) 7.995 19.355 ( -4.150 4.192 -5.398) 7.995 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 2.453 -2.402 9.625) 10.219 2.304 ( 2.453 2.402 9.625) 10.219 2.540 ( 2.610 -1.837 0.102) 3.193 2.540 ( 2.610 1.837 0.102) 3.193 2.741 ( -1.545 -0.433 -5.600) 5.825 2.741 ( -1.545 0.433 -5.600) 5.825 2.940 ( -4.666 -5.339 2.994) 7.697 2.940 ( -4.666 5.339 2.994) 7.697 3.350 ( 5.388 -1.431 -9.922) 11.381 3.350 ( 5.388 1.431 -9.922) 11.381 3.742 ( -2.020 -6.336 -6.159) 9.064 3.742 ( -2.020 6.336 -6.159) 9.064 5.600 ( 9.060 -7.025 8.113) 14.045 5.600 ( 9.060 7.025 8.113) 14.045 5.986 ( 2.799 -3.907 6.156) 7.810 5.986 ( 2.799 3.907 6.156) 7.810 6.251 ( 10.019 -15.454 -2.546) 18.592 6.251 ( 10.019 15.454 -2.546) 18.592 7.019 ( -7.050 -4.439 9.861) 12.909 7.019 ( -7.050 4.439 9.861) 12.909 7.635 ( -6.681 -13.669 -11.565) 19.111 7.635 ( -6.681 13.669 -11.565) 19.111 7.923 ( -13.857 -7.889 -10.224) 18.942 7.923 ( -13.857 7.889 -10.224) 18.942 8.432 ( 3.076 -3.813 6.281) 7.965 8.432 ( 3.076 3.813 6.281) 7.965 9.053 ( -1.148 -11.190 -6.740) 13.113 9.053 ( -1.148 11.190 -6.740) 13.113 9.396 ( -7.228 -3.374 2.628) 8.398 9.396 ( -7.228 3.374 2.628) 8.398 9.880 ( 4.821 -2.624 -5.876) 8.041 9.880 ( 4.821 2.624 -5.876) 8.041 10.557 ( 6.996 -8.587 9.421) 14.541 10.557 ( 6.996 8.587 9.421) 14.541 11.005 ( 7.069 -4.583 3.613) 9.167 11.005 ( 7.069 4.583 3.613) 9.167 11.336 ( 3.571 -7.516 1.587) 8.471 11.336 ( 3.571 7.516 1.587) 8.471 11.706 ( 3.038 -10.486 -5.487) 12.218 11.706 ( 3.038 10.486 -5.487) 12.218 12.251 ( -4.421 -1.768 -4.286) 6.407 12.251 ( -4.421 1.768 -4.286) 6.407 12.435 ( -12.460 -6.191 -8.273) 16.187 12.435 ( -12.460 6.191 -8.273) 16.187 13.826 ( 1.773 -1.436 -3.822) 4.452 13.826 ( 1.773 1.436 -3.822) 4.452 14.062 ( -0.924 -2.499 -0.929) 2.822 14.062 ( -0.924 2.499 -0.929) 2.822 14.367 ( 1.208 -2.958 0.687) 3.268 14.367 ( 1.208 2.958 0.687) 3.268 14.559 ( 1.482 -2.096 -2.064) 3.294 14.559 ( 1.482 2.096 -2.064) 3.294 15.426 ( 4.468 -2.251 4.622) 6.811 15.426 ( 4.468 2.251 4.622) 6.811 16.010 ( -3.116 -7.042 10.672) 13.160 16.010 ( -3.116 7.042 10.672) 13.160 19.005 ( -0.417 -5.611 2.286) 6.073 19.005 ( -0.417 5.611 2.286) 6.073 19.249 ( -6.387 -4.689 -6.484) 10.239 19.249 ( -6.387 4.689 -6.484) 10.239 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 2.604 -6.064 8.132) 10.473 2.352 ( 2.604 6.064 8.132) 10.473 2.551 ( -2.156 -7.984 2.065) 8.524 2.551 ( -2.156 7.984 2.065) 8.524 2.736 ( 1.939 -7.556 -6.023) 9.855 2.736 ( 1.939 7.556 -6.023) 9.855 2.879 ( -1.856 -9.159 0.719) 9.372 2.879 ( -1.856 9.159 0.719) 9.372 3.439 ( 3.778 -3.091 -3.507) 6.011 3.439 ( 3.778 3.091 -3.507) 6.011 3.685 ( -3.908 -0.410 -3.921) 5.552 3.685 ( -3.908 0.410 -3.921) 5.552 5.777 ( 9.524 -5.316 8.068) 13.567 5.777 ( 9.524 5.316 8.068) 13.567 6.099 ( 8.666 -7.061 6.090) 12.729 6.099 ( 8.666 7.061 6.090) 12.729 6.482 ( 11.651 -17.369 -6.302) 21.844 6.482 ( 11.651 17.369 -6.302) 21.844 6.876 ( -6.328 -1.451 0.186) 6.495 6.876 ( -6.328 1.451 0.186) 6.495 7.410 ( -16.649 -3.067 -24.455) 29.742 7.410 ( -16.649 3.067 -24.455) 29.742 7.601 ( -16.942 -5.516 -5.938) 18.781 7.601 ( -16.942 5.516 -5.938) 18.781 8.549 ( 8.422 -6.456 11.029) 15.305 8.549 ( 8.422 6.456 11.029) 15.305 8.981 ( -4.934 -16.568 2.153) 17.421 8.981 ( -4.934 16.568 2.153) 17.421 9.416 ( 6.598 -8.316 -2.521) 10.911 9.416 ( 6.598 8.316 -2.521) 10.911 9.886 ( -3.919 -4.680 -6.338) 8.800 9.886 ( -3.919 4.680 -6.338) 8.800 10.722 ( 9.294 -9.328 8.911) 15.900 10.722 ( 9.294 9.328 8.911) 15.900 11.055 ( -1.106 -6.274 7.776) 10.052 11.055 ( -1.106 6.274 7.776) 10.052 11.465 ( 9.338 -4.378 2.523) 10.618 11.465 ( 9.338 4.378 2.523) 10.618 11.779 ( 4.603 -10.553 -4.983) 12.545 11.779 ( 4.603 10.553 -4.983) 12.545 12.163 ( -5.258 -5.263 -6.387) 9.805 12.163 ( -5.258 5.263 -6.387) 9.805 12.183 ( -12.852 -3.742 -6.819) 15.022 12.183 ( -12.852 3.742 -6.819) 15.022 13.861 ( 1.981 -0.555 -5.045) 5.448 13.861 ( 1.981 0.555 -5.045) 5.448 14.028 ( -2.587 -1.565 -3.237) 4.430 14.028 ( -2.587 1.565 -3.237) 4.430 14.406 ( 2.788 -2.377 2.023) 4.185 14.406 ( 2.788 2.377 2.023) 4.185 14.564 ( -0.970 -1.331 -0.530) 1.730 14.564 ( -0.970 1.331 -0.530) 1.730 15.537 ( 6.843 -3.042 5.864) 9.511 15.537 ( 6.843 3.042 5.864) 9.511 15.938 ( -4.607 -6.662 8.916) 12.045 15.938 ( -4.607 6.662 8.916) 12.045 18.991 ( -0.777 -2.569 -2.169) 3.451 18.991 ( -0.777 2.569 -2.169) 3.451 19.126 ( -5.944 -4.576 -7.562) 10.652 19.126 ( -5.944 4.576 -7.562) 10.652 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 3.381 -8.466 6.083) 10.959 2.409 ( 3.381 8.466 6.083) 10.959 2.482 ( -4.069 -9.282 4.315) 11.015 2.482 ( -4.069 9.282 4.315) 11.015 2.796 ( 3.381 -8.378 -3.959) 9.864 2.796 ( 3.381 8.378 -3.959) 9.864 2.848 ( -1.895 -8.939 -1.915) 9.336 2.848 ( -1.895 8.939 -1.915) 9.336 3.509 ( 3.942 -4.496 -0.196) 5.982 3.509 ( 3.942 4.496 -0.196) 5.982 3.596 ( -4.892 -4.203 -1.072) 6.538 3.596 ( -4.892 4.203 -1.072) 6.538 5.996 ( 12.947 -5.294 3.515) 14.422 5.996 ( 12.947 5.294 3.515) 14.422 6.195 ( -3.479 -2.177 6.353) 7.564 6.195 ( -3.479 2.177 6.353) 7.564 6.638 ( 7.823 -10.696 -6.362) 14.700 6.638 ( 7.823 10.696 -6.362) 14.700 6.823 ( -4.808 -1.152 -8.967) 10.239 6.823 ( -4.808 1.152 -8.967) 10.239 7.136 ( -2.965 -3.731 -18.832) 19.425 7.136 ( -2.965 3.731 -18.832) 19.425 7.306 ( -13.935 -11.058 -9.515) 20.174 7.306 ( -13.935 11.058 -9.515) 20.174 8.724 ( 8.872 -9.779 9.671) 16.367 8.724 ( 8.872 9.779 9.671) 16.367 8.874 ( -6.527 -13.780 6.478) 16.567 8.874 ( -6.527 13.780 6.478) 16.567 9.579 ( 9.465 -10.520 -4.608) 14.883 9.579 ( 9.465 10.520 -4.608) 14.883 9.758 ( -8.523 -9.130 -5.739) 13.745 9.758 ( -8.523 9.130 -5.739) 13.745 10.885 ( 7.170 -9.223 8.832) 14.645 10.885 ( 7.170 9.223 8.832) 14.645 10.997 ( -4.499 -7.940 9.230) 12.979 10.997 ( -4.499 7.940 9.230) 12.979 11.669 ( 11.225 -3.911 1.544) 11.986 11.669 ( 11.225 3.911 1.544) 11.986 11.852 ( -2.128 -3.042 0.425) 3.736 11.852 ( -2.128 3.042 0.425) 3.736 11.970 ( -3.724 -7.173 -9.653) 12.590 11.970 ( -3.724 7.173 -9.653) 12.590 12.054 ( -6.409 -9.821 -7.359) 13.845 12.054 ( -6.409 9.821 -7.359) 13.845 13.907 ( 2.811 -1.210 -5.355) 6.168 13.907 ( 2.811 1.210 -5.355) 6.168 13.968 ( -3.348 -1.386 -4.783) 6.000 13.968 ( -3.348 1.386 -4.783) 6.000 14.468 ( 3.341 -1.681 2.239) 4.359 14.468 ( 3.341 1.681 2.239) 4.359 14.527 ( -2.648 -0.947 1.246) 3.076 14.527 ( -2.648 0.947 1.246) 3.076 15.682 ( 7.895 -4.452 6.743) 11.297 15.682 ( 7.895 4.452 6.743) 11.297 15.827 ( -6.809 -5.943 7.618) 11.820 15.827 ( -6.809 5.943 7.618) 11.820 18.988 ( 0.828 -1.120 -5.865) 6.029 18.988 ( 0.828 1.120 -5.865) 6.029 19.031 ( -3.639 -3.362 -7.636) 9.103 19.031 ( -3.639 3.362 -7.636) 9.103 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 0.000 0.000 10.139) 10.139 2.320 ( 0.000 0.000 17.826) 17.826 2.388 ( 0.000 0.000 -7.680) 7.680 2.546 ( 0.000 0.000 7.252) 7.252 2.665 ( 0.000 0.000 -16.849) 16.849 2.784 ( 0.000 0.000 -13.615) 13.615 2.866 ( 0.000 0.000 -0.422) 0.422 2.907 ( 0.000 0.000 -3.361) 3.361 3.339 ( 0.000 0.000 7.677) 7.677 3.471 ( 0.000 0.000 -4.873) 4.873 4.067 ( 0.000 0.000 17.166) 17.166 4.336 ( 0.000 0.000 -10.261) 10.261 4.701 ( 0.000 0.000 13.386) 13.386 4.990 ( 0.000 0.000 -14.306) 14.306 5.608 ( 0.000 0.000 -2.540) 2.540 5.690 ( 0.000 0.000 -11.045) 11.045 6.418 ( 0.000 0.000 23.611) 23.611 6.573 ( 0.000 0.000 9.212) 9.212 6.773 ( 0.000 0.000 -1.170) 1.170 7.018 ( 0.000 0.000 -25.320) 25.320 7.119 ( 0.000 0.000 36.405) 36.405 7.680 ( 0.000 0.000 -6.133) 6.133 8.160 ( 0.000 0.000 -1.046) 1.046 8.213 ( 0.000 0.000 -2.399) 2.399 8.328 ( 0.000 0.000 -15.598) 15.598 8.345 ( 0.000 0.000 -11.474) 11.474 8.974 ( 0.000 0.000 10.929) 10.929 9.063 ( 0.000 0.000 11.217) 11.217 9.538 ( 0.000 0.000 -3.894) 3.894 9.765 ( 0.000 0.000 -17.694) 17.694 9.807 ( 0.000 0.000 5.333) 5.333 9.926 ( 0.000 0.000 -4.745) 4.745 10.414 ( 0.000 0.000 6.905) 6.905 10.546 ( 0.000 0.000 -5.356) 5.356 10.864 ( 0.000 0.000 10.186) 10.186 10.871 ( 0.000 0.000 2.119) 2.119 10.923 ( 0.000 0.000 -2.702) 2.702 11.084 ( 0.000 0.000 -11.663) 11.663 11.847 ( 0.000 0.000 11.912) 11.912 11.926 ( 0.000 0.000 21.477) 21.477 12.139 ( 0.000 0.000 -16.099) 16.099 12.330 ( 0.000 0.000 -17.937) 17.937 12.534 ( 0.000 0.000 8.946) 8.946 12.759 ( 0.000 0.000 -12.310) 12.310 13.538 ( 0.000 0.000 5.142) 5.142 13.622 ( 0.000 0.000 -3.069) 3.069 14.067 ( 0.000 0.000 0.878) 0.878 14.126 ( 0.000 0.000 -4.903) 4.903 14.162 ( 0.000 0.000 5.075) 5.075 14.277 ( 0.000 0.000 -5.760) 5.760 14.394 ( 0.000 0.000 3.228) 3.228 14.451 ( 0.000 0.000 -2.345) 2.345 15.542 ( 0.000 0.000 5.364) 5.364 15.624 ( 0.000 0.000 -2.711) 2.711 16.083 ( 0.000 0.000 15.526) 15.526 16.319 ( 0.000 0.000 -7.426) 7.426 19.197 ( 0.000 0.000 15.835) 15.835 19.371 ( 0.000 0.000 2.768) 2.768 19.454 ( 0.000 0.000 -5.202) 5.202 19.472 ( 0.000 0.000 -11.190) 11.190 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -2.367 0.000 7.265) 7.641 2.308 ( -1.021 0.000 13.582) 13.620 2.335 ( -5.474 0.000 -6.856) 8.773 2.501 ( -2.815 0.000 -2.291) 3.630 2.748 ( 5.910 0.000 -5.098) 7.805 2.861 ( 6.669 0.000 -10.812) 12.703 2.880 ( 1.664 0.000 1.312) 2.119 2.940 ( 3.389 0.000 -3.582) 4.931 3.333 ( -0.176 0.000 5.651) 5.654 3.430 ( -3.684 0.000 -3.442) 5.042 4.097 ( 3.509 0.000 14.026) 14.458 4.311 ( -2.016 0.000 -8.147) 8.393 4.752 ( 4.843 0.000 12.888) 13.768 5.030 ( 3.752 0.000 -13.790) 14.292 5.705 ( 9.847 0.000 -0.904) 9.889 5.804 ( 11.084 0.000 -10.386) 15.190 6.315 ( -6.917 0.000 21.073) 22.179 6.590 ( -2.350 0.000 -0.542) 2.411 6.793 ( 4.386 0.000 6.425) 7.780 6.977 ( -12.472 0.000 32.916) 35.200 7.090 ( 5.838 0.000 -20.850) 21.652 7.579 ( -11.051 0.000 -17.606) 20.787 8.200 ( -0.805 0.000 2.100) 2.249 8.211 ( -1.885 0.000 0.537) 1.960 8.268 ( 2.088 0.000 -4.821) 5.254 8.473 ( 9.834 0.000 -14.241) 17.306 8.507 ( -28.440 0.000 12.907) 31.232 8.797 ( -30.897 0.000 -14.851) 34.281 9.741 ( 20.940 0.000 18.360) 27.849 9.793 ( -2.025 0.000 4.894) 5.296 9.889 ( -3.776 0.000 -2.595) 4.582 10.113 ( 19.455 0.000 -16.812) 25.712 10.298 ( -9.850 0.000 1.112) 9.913 10.327 ( -13.980 0.000 -0.918) 14.010 10.919 ( 5.443 0.000 4.038) 6.778 11.003 ( 8.033 0.000 -4.014) 8.980 11.068 ( 11.903 0.000 4.629) 12.771 11.160 ( 6.600 0.000 -5.575) 8.640 11.869 ( 2.673 0.000 10.792) 11.118 11.917 ( -0.715 0.000 20.216) 20.229 12.148 ( 1.404 0.000 -16.013) 16.075 12.300 ( -2.903 0.000 -16.927) 17.174 12.495 ( -3.620 0.000 7.927) 8.715 12.703 ( -5.477 0.000 -11.798) 13.007 13.532 ( -0.954 0.000 4.306) 4.410 13.612 ( -1.087 0.000 -3.408) 3.577 14.076 ( 0.925 0.000 0.741) 1.186 14.123 ( -0.102 0.000 -3.836) 3.837 14.162 ( 0.577 0.000 6.850) 6.875 14.307 ( 2.648 0.000 -6.967) 7.453 14.410 ( 1.676 0.000 2.608) 3.101 14.458 ( 0.775 0.000 -2.015) 2.159 15.537 ( -1.101 0.000 4.000) 4.148 15.594 ( -3.529 0.000 -1.494) 3.832 16.123 ( 4.197 0.000 14.110) 14.721 16.336 ( 2.273 0.000 -6.321) 6.717 19.184 ( -1.252 0.000 14.588) 14.642 19.304 ( -6.763 0.000 3.036) 7.413 19.403 ( -5.293 0.000 -6.440) 8.336 19.441 ( -3.192 0.000 -10.588) 11.058 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -7.872 0.000 1.756) 8.065 2.186 ( -9.598 0.000 -6.102) 11.374 2.291 ( -0.461 0.000 7.483) 7.497 2.449 ( -2.849 0.000 -6.664) 7.247 2.837 ( 3.020 0.000 4.426) 5.359 2.943 ( 5.041 0.000 4.703) 6.894 2.981 ( 4.522 0.000 -7.677) 8.910 3.030 ( 5.575 0.000 -3.272) 6.464 3.331 ( -1.106 0.000 0.427) 1.186 3.357 ( -3.088 0.000 -1.491) 3.429 4.232 ( 11.032 0.000 6.629) 12.871 4.302 ( 2.454 0.000 -1.657) 2.961 4.865 ( 6.223 0.000 11.238) 12.846 5.110 ( 3.636 0.000 -12.006) 12.545 5.966 ( 16.190 0.000 3.854) 16.643 6.077 ( 15.718 0.000 -5.293) 16.585 6.216 ( -2.520 0.000 18.453) 18.624 6.518 ( -3.372 0.000 -8.525) 9.168 6.717 ( -12.362 0.000 21.048) 24.410 6.897 ( 4.592 0.000 11.899) 12.754 7.197 ( 4.426 0.000 -17.188) 17.748 7.274 ( -19.801 0.000 -26.207) 32.846 7.989 ( -24.316 0.000 5.579) 24.947 8.038 ( -12.907 0.000 1.017) 12.947 8.100 ( -8.459 0.000 -2.985) 8.970 8.170 ( -31.231 0.000 -12.622) 33.685 8.472 ( 13.289 0.000 8.520) 15.785 8.681 ( 11.051 0.000 -8.947) 14.219 9.728 ( -3.670 0.000 3.248) 4.901 9.785 ( -6.591 0.000 -0.414) 6.603 10.081 ( -12.934 0.000 -0.277) 12.937 10.099 ( 14.780 0.000 15.802) 21.637 10.115 ( -7.603 0.000 -3.165) 8.236 10.381 ( 8.454 0.000 -11.723) 14.453 11.090 ( 11.654 0.000 6.551) 13.369 11.208 ( 11.808 0.000 -4.241) 12.546 11.215 ( 5.503 0.000 4.862) 7.343 11.310 ( 6.910 0.000 -4.955) 8.502 11.911 ( 0.510 0.000 16.499) 16.507 11.949 ( 4.984 0.000 10.704) 11.807 12.211 ( 4.992 0.000 -14.754) 15.576 12.231 ( -3.886 0.000 -13.978) 14.508 12.413 ( -4.599 0.000 5.099) 6.867 12.569 ( -7.581 0.000 -9.896) 12.466 13.494 ( -2.870 0.000 2.608) 3.878 13.576 ( -2.845 0.000 -4.895) 5.662 14.100 ( 1.422 0.000 0.825) 1.644 14.131 ( 1.078 0.000 -1.916) 2.199 14.200 ( 3.375 0.000 8.553) 9.195 14.368 ( 3.603 0.000 -7.398) 8.229 14.455 ( 2.734 0.000 1.528) 3.132 14.481 ( 1.610 0.000 -1.028) 1.910 15.474 ( -6.768 0.000 0.736) 6.808 15.483 ( -6.291 0.000 0.138) 6.292 16.241 ( 7.719 0.000 12.692) 14.855 16.422 ( 6.421 0.000 -4.325) 7.742 19.125 ( -11.102 0.000 3.076) 11.520 19.153 ( -1.854 0.000 11.182) 11.335 19.253 ( -10.037 0.000 -8.935) 13.438 19.356 ( -5.265 0.000 -8.885) 10.328 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -9.863 0.000 -1.370) 9.957 1.981 ( -10.909 0.000 -6.399) 12.647 2.291 ( 0.350 0.000 1.393) 1.436 2.388 ( -3.328 0.000 -7.196) 7.928 2.882 ( 2.162 0.000 8.619) 8.886 3.017 ( -0.572 0.000 -2.588) 2.650 3.063 ( 6.644 0.000 5.611) 8.696 3.137 ( 4.951 0.000 -1.562) 5.192 3.281 ( -2.706 0.000 -2.825) 3.912 3.308 ( -2.962 0.000 -4.055) 5.022 4.434 ( 10.831 0.000 6.481) 12.622 4.507 ( 15.850 0.000 1.019) 15.883 4.972 ( 4.584 0.000 7.927) 9.157 5.146 ( -0.110 0.000 -8.520) 8.520 6.171 ( -1.978 0.000 22.264) 22.351 6.239 ( 5.055 0.000 12.969) 13.919 6.381 ( 18.567 0.000 3.612) 18.915 6.492 ( 0.760 0.000 -9.914) 9.943 6.666 ( 10.800 0.000 -11.845) 16.030 6.838 ( -24.499 0.000 -26.472) 36.069 6.931 ( -1.563 0.000 11.563) 11.668 7.200 ( -7.405 0.000 -13.238) 15.168 7.588 ( -14.604 0.000 0.300) 14.607 7.700 ( -15.306 0.000 -9.425) 17.975 7.737 ( -17.276 0.000 6.947) 18.620 7.881 ( -14.023 0.000 -6.271) 15.361 8.733 ( 13.341 0.000 8.506) 15.822 8.890 ( 10.431 0.000 -5.226) 11.667 9.645 ( -6.505 0.000 2.970) 7.150 9.679 ( -5.123 0.000 -0.493) 5.147 9.833 ( -9.434 0.000 4.036) 10.261 9.992 ( -5.845 0.000 -9.628) 11.263 10.315 ( 8.156 0.000 9.709) 12.680 10.475 ( 2.163 0.000 -6.110) 6.481 11.320 ( 10.731 0.000 6.296) 12.442 11.329 ( 6.258 0.000 2.982) 6.932 11.408 ( 8.092 0.000 -1.229) 8.184 11.411 ( 3.988 0.000 -5.183) 6.539 11.947 ( 3.207 0.000 11.138) 11.591 12.029 ( 2.770 0.000 12.103) 12.416 12.161 ( -3.211 0.000 -8.901) 9.462 12.281 ( -3.718 0.000 -6.546) 7.528 12.343 ( 2.242 0.000 -2.766) 3.560 12.459 ( -2.779 0.000 -8.460) 8.905 13.434 ( -2.894 0.000 0.382) 2.919 13.504 ( -4.257 0.000 -6.127) 7.461 14.130 ( 1.623 0.000 1.341) 2.105 14.158 ( 1.300 0.000 -1.224) 1.786 14.284 ( 5.102 0.000 8.624) 10.020 14.435 ( 2.741 0.000 -5.142) 5.827 14.507 ( 2.417 0.000 1.171) 2.686 14.518 ( 2.039 0.000 0.126) 2.043 15.312 ( -7.906 0.000 0.548) 7.925 15.361 ( -6.732 0.000 -3.556) 7.614 16.406 ( 8.893 0.000 12.297) 15.176 16.554 ( 6.221 0.000 -1.435) 6.384 18.910 ( -10.073 0.000 1.118) 10.135 19.035 ( -11.741 0.000 -10.415) 15.695 19.121 ( -1.185 0.000 6.491) 6.598 19.250 ( -5.408 0.000 -6.265) 8.276 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -3.848 0.000 -3.618) 5.282 1.806 ( -5.907 0.000 -5.624) 8.156 2.303 ( 0.911 0.000 -3.983) 4.086 2.332 ( -2.226 0.000 -6.499) 6.869 2.927 ( 2.525 0.000 8.579) 8.943 2.979 ( -2.729 0.000 4.601) 5.349 3.171 ( 3.964 0.000 3.937) 5.587 3.200 ( 1.096 0.000 1.177) 1.608 3.246 ( -0.681 0.000 -5.729) 5.769 3.257 ( -1.772 0.000 -5.878) 6.139 4.665 ( 10.768 0.000 10.423) 14.986 4.740 ( 5.101 0.000 4.772) 6.985 5.048 ( 3.548 0.000 2.632) 4.417 5.112 ( -2.952 0.000 -3.392) 4.497 6.114 ( 2.989 0.000 6.890) 7.510 6.367 ( -21.154 0.000 -13.338) 25.007 6.397 ( 10.100 0.000 3.122) 10.572 6.518 ( -0.235 0.000 -8.342) 8.345 6.766 ( 18.189 0.000 0.713) 18.203 6.859 ( -3.704 0.000 7.045) 7.960 6.925 ( 7.570 0.000 -12.094) 14.268 6.931 ( -13.274 0.000 1.736) 13.387 7.448 ( -7.800 0.000 5.389) 9.480 7.490 ( 0.389 0.000 -5.909) 5.922 7.532 ( -4.167 0.000 -8.623) 9.577 7.582 ( -15.571 0.000 -7.203) 17.156 8.971 ( 10.407 0.000 5.406) 11.728 9.051 ( 3.995 0.000 -1.958) 4.449 9.505 ( -7.375 0.000 7.081) 10.224 9.513 ( -6.141 0.000 4.948) 7.886 9.808 ( 3.097 0.000 -5.209) 6.060 9.887 ( -4.862 0.000 -10.813) 11.856 10.431 ( 4.180 0.000 4.051) 5.821 10.482 ( -1.185 0.000 -1.029) 1.570 11.436 ( 4.018 0.000 0.009) 4.018 11.464 ( 1.075 0.000 -2.950) 3.140 11.472 ( 4.820 0.000 4.145) 6.358 11.504 ( 1.626 0.000 1.462) 2.187 12.025 ( 4.373 0.000 5.255) 6.837 12.070 ( 2.488 0.000 9.650) 9.966 12.101 ( -3.360 0.000 -1.884) 3.852 12.155 ( -6.314 0.000 4.164) 7.563 12.415 ( 2.760 0.000 -8.676) 9.105 12.441 ( -0.320 0.000 -8.538) 8.544 13.400 ( -0.227 0.000 -2.580) 2.590 13.429 ( -3.054 0.000 -5.233) 6.060 14.159 ( 1.218 0.000 0.726) 1.418 14.171 ( 0.003 0.000 -0.468) 0.468 14.384 ( 4.865 0.000 6.519) 8.135 14.451 ( -1.453 0.000 0.776) 1.648 14.543 ( 1.191 0.000 1.309) 1.770 14.548 ( 0.752 0.000 0.886) 1.162 15.212 ( -1.719 0.000 -2.788) 3.275 15.245 ( -4.553 0.000 -5.337) 7.015 16.561 ( 6.411 0.000 9.870) 11.770 16.625 ( 0.328 0.000 4.129) 4.142 18.782 ( -2.166 0.000 -3.830) 4.400 18.838 ( -7.503 0.000 -8.864) 11.613 19.116 ( 0.913 0.000 1.568) 1.814 19.160 ( -3.607 0.000 -2.785) 4.557 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 0.000 -0.753 4.713) 4.773 2.277 ( 0.000 -2.920 -1.057) 3.105 2.391 ( 0.000 3.248 11.427) 11.879 2.650 ( 0.000 5.770 7.294) 9.300 2.698 ( 0.000 3.140 -13.332) 13.697 2.784 ( 0.000 -0.856 -4.473) 4.554 2.929 ( 0.000 4.999 -6.441) 8.153 2.932 ( 0.000 2.201 -3.395) 4.046 3.240 ( 0.000 -8.663 4.996) 10.000 3.357 ( 0.000 -10.192 -5.924) 11.789 3.901 ( 0.000 -12.598 14.932) 19.537 4.164 ( 0.000 -13.287 -11.177) 17.363 4.887 ( 0.000 14.796 13.066) 19.740 5.165 ( 0.000 13.235 -13.800) 19.120 5.601 ( 0.000 -0.650 -1.784) 1.898 5.682 ( 0.000 -0.530 -10.005) 10.019 6.467 ( 0.000 4.130 25.985) 26.311 6.752 ( 0.000 15.961 12.730) 20.416 6.971 ( 0.000 17.922 -4.349) 18.442 6.994 ( 0.000 -2.717 -7.691) 8.157 7.175 ( 0.000 5.505 18.997) 19.778 7.674 ( 0.000 -0.773 -4.478) 4.544 8.185 ( 0.000 2.365 -3.012) 3.829 8.232 ( 0.000 1.695 -2.574) 3.082 8.278 ( 0.000 -4.647 -11.766) 12.650 8.317 ( 0.000 -2.429 -12.063) 12.305 8.993 ( 0.000 -6.395 11.789) 13.412 9.034 ( 0.000 3.872 6.125) 7.247 9.553 ( 0.000 1.429 -7.356) 7.494 9.610 ( 0.000 -9.935 -9.882) 14.013 9.872 ( 0.000 5.617 5.230) 7.674 10.008 ( 0.000 4.573 -7.419) 8.715 10.391 ( 0.000 -1.827 6.591) 6.840 10.506 ( 0.000 -3.529 -4.047) 5.369 10.782 ( 0.000 -6.919 9.816) 12.009 10.933 ( 0.000 0.164 -1.021) 1.035 10.987 ( 0.000 5.554 -1.674) 5.801 11.038 ( 0.000 0.969 -11.064) 11.107 11.777 ( 0.000 -6.363 10.594) 12.358 11.892 ( 0.000 -4.130 9.008) 9.909 12.190 ( 0.000 5.192 -6.245) 8.121 12.351 ( 0.000 1.789 -13.124) 13.245 12.523 ( 0.000 -0.931 8.422) 8.473 12.744 ( 0.000 -1.609 -12.324) 12.429 13.585 ( 0.000 4.045 4.204) 5.834 13.657 ( 0.000 3.020 -2.934) 4.211 14.079 ( 0.000 0.862 1.390) 1.636 14.130 ( 0.000 0.089 -3.966) 3.967 14.189 ( 0.000 2.611 4.733) 5.405 14.298 ( 0.000 2.095 -5.267) 5.668 14.404 ( 0.000 0.960 2.022) 2.238 14.446 ( 0.000 -0.442 -2.142) 2.187 15.502 ( 0.000 -3.527 4.636) 5.825 15.572 ( 0.000 -4.605 -2.223) 5.114 16.110 ( 0.000 2.467 14.179) 14.392 16.316 ( 0.000 -0.336 -5.885) 5.894 19.175 ( 0.000 -1.823 14.635) 14.749 19.340 ( 0.000 -2.588 1.277) 2.886 19.381 ( 0.000 -6.037 -3.547) 7.002 19.439 ( 0.000 -3.281 -10.160) 10.676 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -1.957 -0.198 3.200) 3.756 2.272 ( -0.977 -1.543 -5.578) 5.869 2.382 ( -0.955 4.309 12.135) 12.912 2.586 ( -3.689 5.182 -1.725) 6.591 2.790 ( 4.860 3.087 -0.771) 5.809 2.812 ( 2.926 -2.458 -3.834) 5.413 2.915 ( 0.924 0.921 -0.953) 1.615 3.007 ( 4.873 5.310 -7.170) 10.166 3.243 ( 1.059 -7.668 3.381) 8.447 3.332 ( -2.063 -8.670 -4.706) 10.079 3.921 ( 2.489 -13.404 12.260) 18.335 4.138 ( -2.312 -13.304 -9.364) 16.433 4.948 ( 5.951 15.582 12.519) 20.855 5.214 ( 4.867 14.111 -13.294) 19.988 5.684 ( 8.492 -1.503 -0.093) 8.624 5.784 ( 9.929 -1.431 -9.578) 13.870 6.370 ( -7.378 4.562 24.066) 25.581 6.751 ( -5.890 12.506 -5.858) 15.013 6.893 ( 1.823 5.683 17.058) 18.072 7.020 ( -7.710 7.140 20.925) 23.415 7.174 ( 5.393 8.258 -14.476) 17.516 7.575 ( -10.805 -0.569 -14.456) 18.056 8.125 ( -8.970 -5.404 -1.562) 10.588 8.197 ( -5.375 -1.120 -2.121) 5.886 8.257 ( 1.781 -0.553 -2.868) 3.421 8.387 ( 2.248 -3.538 -10.573) 11.373 8.655 ( -14.941 8.756 10.127) 20.061 8.914 ( -18.829 7.870 -13.259) 24.336 9.569 ( 7.951 -7.665 8.181) 13.744 9.730 ( 1.092 -10.433 -5.325) 11.764 9.950 ( 6.725 4.943 9.563) 12.693 10.111 ( 2.034 -4.151 -4.809) 6.671 10.313 ( -8.419 1.116 1.334) 8.597 10.383 ( 2.436 7.732 -6.011) 10.092 10.952 ( 8.597 -2.732 5.773) 10.710 11.008 ( 8.276 -1.205 1.563) 8.508 11.055 ( 6.798 3.556 -2.013) 7.932 11.104 ( 6.165 -2.178 -7.039) 9.607 11.798 ( 2.371 -6.443 9.818) 11.980 11.906 ( 1.443 -2.872 9.690) 10.209 12.163 ( -2.195 2.818 -8.307) 9.043 12.308 ( -4.047 0.692 -12.216) 12.888 12.483 ( -3.817 -1.167 7.109) 8.153 12.684 ( -5.943 -2.019 -11.583) 13.174 13.582 ( -0.486 4.399 3.281) 5.509 13.649 ( -0.953 3.135 -3.123) 4.526 14.080 ( 0.133 0.267 1.457) 1.487 14.123 ( -0.379 -0.002 -2.901) 2.926 14.202 ( 1.429 3.334 5.293) 6.416 14.322 ( 2.301 1.633 -5.614) 6.283 14.420 ( 1.612 0.893 1.583) 2.429 14.457 ( 1.212 0.006 -2.196) 2.509 15.507 ( 0.030 -2.681 3.548) 4.447 15.557 ( -2.055 -3.343 -1.278) 4.127 16.132 ( 2.497 0.991 13.190) 13.461 16.322 ( 1.010 -1.335 -5.043) 5.314 19.162 ( -1.398 -1.947 13.306) 13.520 19.277 ( -6.292 -2.187 1.671) 6.868 19.335 ( -4.786 -5.670 -4.648) 8.755 19.407 ( -3.212 -3.247 -9.751) 10.768 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -3.049 3.090 0.037) 4.342 2.219 ( -4.916 3.580 -7.807) 9.896 2.352 ( -1.931 4.552 8.924) 10.202 2.512 ( -4.321 5.180 -4.348) 8.026 2.838 ( 1.339 -1.290 4.856) 5.200 2.883 ( 3.861 -3.195 -1.540) 5.243 2.965 ( 3.248 -1.636 3.086) 4.769 3.080 ( 2.383 1.108 -5.644) 6.226 3.292 ( 2.763 -2.256 -1.698) 3.950 3.300 ( -0.771 -4.410 -2.025) 4.914 4.023 ( 8.528 -15.797 5.393) 18.745 4.109 ( 0.528 -14.593 -3.642) 15.050 5.095 ( 8.503 18.070 11.000) 22.800 5.329 ( 6.132 16.987 -11.569) 21.448 5.912 ( 14.073 -3.260 4.464) 15.120 6.031 ( 14.514 -2.869 -5.472) 15.775 6.252 ( -3.770 2.412 21.359) 21.823 6.604 ( -7.343 4.574 -6.836) 11.026 6.770 ( -10.253 5.805 14.975) 19.054 7.018 ( 3.681 9.163 11.009) 14.788 7.237 ( -8.557 2.709 -19.691) 21.640 7.295 ( -9.797 1.591 -15.174) 18.132 7.840 ( -17.081 -4.832 0.116) 17.751 7.977 ( -18.038 -7.037 -9.350) 21.501 8.203 ( -11.463 7.037 0.553) 13.462 8.273 ( -10.288 7.607 -5.709) 14.011 8.568 ( 6.898 8.189 11.013) 15.360 8.787 ( 5.457 8.642 -8.401) 13.230 9.649 ( 0.816 -6.143 1.927) 6.490 9.696 ( -3.681 -7.606 -0.510) 8.465 9.987 ( -4.825 -5.208 1.983) 7.372 10.012 ( -7.129 -6.382 -1.510) 9.686 10.303 ( 6.641 12.280 10.028) 17.189 10.517 ( 6.241 10.529 -9.502) 15.495 11.107 ( 8.685 -1.068 7.365) 11.438 11.175 ( 8.305 -1.670 2.883) 8.948 11.229 ( 10.202 -0.565 -1.760) 10.369 11.250 ( 8.362 -1.843 -5.913) 10.406 11.862 ( 3.463 -6.530 9.602) 12.117 11.934 ( 1.043 -0.406 11.926) 11.979 12.143 ( 0.755 -4.179 -12.812) 13.497 12.220 ( -4.383 -1.579 -10.749) 11.715 12.395 ( -4.918 -1.885 4.272) 6.782 12.537 ( -8.457 -3.117 -9.119) 12.822 13.557 ( -2.076 5.487 1.507) 6.057 13.619 ( -2.218 3.751 -4.137) 6.009 14.086 ( 0.513 -1.042 1.315) 1.755 14.121 ( 0.162 -1.027 -1.967) 2.225 14.249 ( 3.492 3.989 6.650) 8.505 14.377 ( 3.198 0.930 -4.919) 5.941 14.463 ( 2.702 0.775 1.004) 2.985 14.491 ( 2.183 0.920 -2.079) 3.152 15.479 ( -5.743 0.076 0.748) 5.792 15.482 ( -3.032 0.347 0.508) 3.093 16.211 ( 5.565 -2.610 11.883) 13.378 16.373 ( 4.358 -4.415 -3.439) 7.094 19.105 ( -8.901 -1.718 2.495) 9.402 19.132 ( -3.589 -1.717 9.203) 10.026 19.200 ( -8.861 -4.368 -6.819) 12.004 19.321 ( -5.396 -3.282 -8.458) 10.556 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -5.657 10.241 -1.555) 11.802 2.092 ( -7.387 9.410 -4.743) 12.869 2.326 ( -0.516 3.054 1.610) 3.490 2.424 ( -4.194 3.846 -6.096) 8.340 2.865 ( 1.740 -2.221 7.467) 7.982 2.958 ( 2.256 -4.578 -1.216) 5.246 3.020 ( 3.330 -4.390 5.600) 7.857 3.115 ( 1.384 -3.235 -3.013) 4.632 3.285 ( -0.379 0.472 -1.487) 1.606 3.318 ( -0.425 1.937 -4.657) 5.062 4.185 ( 7.516 -18.427 4.184) 20.336 4.234 ( 11.461 -19.685 0.327) 22.781 5.249 ( 7.106 20.881 8.026) 23.472 5.418 ( 2.563 20.846 -8.157) 22.531 6.142 ( 6.958 -2.320 14.330) 16.098 6.205 ( -2.422 -1.452 19.330) 19.535 6.317 ( 14.934 -3.207 1.200) 15.321 6.535 ( 2.312 1.706 -8.328) 8.810 6.699 ( 4.967 2.173 -11.197) 12.440 6.829 ( -23.741 -0.249 -25.510) 34.850 7.027 ( -4.188 4.665 7.372) 9.677 7.168 ( -12.211 -3.614 -4.072) 13.369 7.566 ( -15.447 -3.935 -1.490) 16.010 7.627 ( -8.463 1.562 -7.454) 11.385 7.972 ( -10.441 16.769 3.742) 20.105 8.077 ( -10.713 16.836 -5.756) 20.769 8.772 ( 12.060 3.451 9.551) 15.767 8.939 ( 8.587 4.299 -5.534) 11.084 9.600 ( -5.265 -4.410 3.749) 7.825 9.649 ( -2.778 -2.803 -1.712) 4.301 9.810 ( -7.995 -1.869 2.585) 8.607 9.930 ( -3.790 -4.823 -7.643) 9.800 10.437 ( 6.189 10.542 9.044) 15.207 10.587 ( 1.431 9.704 -5.456) 11.225 11.265 ( 7.477 -4.781 5.113) 10.242 11.342 ( 6.800 -2.892 -0.227) 7.393 11.384 ( 8.185 1.312 -0.299) 8.295 11.435 ( 8.409 2.239 -1.636) 8.854 11.910 ( 1.810 -3.871 9.567) 10.478 11.956 ( 1.283 -5.435 11.533) 12.814 12.113 ( -3.995 -3.762 -8.569) 10.175 12.206 ( 1.114 -7.898 -12.751) 15.040 12.293 ( -4.809 -3.784 3.098) 6.858 12.404 ( -4.211 -5.085 -7.314) 9.853 13.511 ( -2.276 6.724 -0.378) 7.109 13.564 ( -3.262 5.209 -5.211) 8.058 14.098 ( 0.776 -2.569 1.245) 2.958 14.128 ( 0.410 -2.735 -1.478) 3.135 14.330 ( 4.615 3.608 6.767) 8.951 14.438 ( 2.851 0.526 -2.893) 4.095 14.515 ( 2.274 0.649 0.896) 2.529 14.532 ( 1.698 1.055 -0.931) 2.205 15.360 ( -5.586 4.551 0.978) 7.272 15.402 ( -4.773 4.007 -2.614) 6.758 16.337 ( 7.057 -6.373 11.311) 14.777 16.469 ( 4.612 -7.863 -0.957) 9.166 18.910 ( -9.277 0.167 0.146) 9.280 19.005 ( -10.263 -2.398 -8.544) 13.567 19.093 ( -1.592 -2.548 5.617) 6.370 19.212 ( -5.504 -3.466 -6.118) 8.930 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -2.860 14.400 -1.794) 14.791 1.971 ( -4.138 13.528 -3.124) 14.488 2.332 ( 1.000 2.848 -3.709) 4.782 2.362 ( -2.245 3.170 -6.061) 7.199 2.905 ( 2.365 -2.370 7.317) 8.047 2.950 ( -1.992 -2.893 3.785) 5.164 3.092 ( 2.911 -6.159 1.012) 6.888 3.124 ( -0.579 -5.739 -1.581) 5.981 3.289 ( 0.685 2.874 -1.804) 3.462 3.303 ( -0.706 3.079 -3.253) 4.535 4.346 ( 7.298 -22.308 7.115) 24.526 4.395 ( 3.369 -23.249 3.151) 23.702 5.366 ( 4.838 22.009 3.207) 22.762 5.427 ( -1.425 22.537 -2.705) 22.743 6.123 ( 2.162 0.934 8.184) 8.516 6.289 ( -4.158 -3.429 1.535) 5.604 6.432 ( -2.660 0.651 -8.453) 8.885 6.517 ( -0.009 0.671 -12.007) 12.026 6.707 ( 12.366 -2.903 1.310) 12.770 6.826 ( 1.455 -3.967 -5.265) 6.751 6.856 ( -9.250 -3.397 1.925) 10.040 6.941 ( -7.535 -1.379 -7.099) 10.444 7.390 ( 0.052 -2.798 4.632) 5.412 7.511 ( -7.662 -2.559 -6.848) 10.590 7.838 ( -2.175 26.074 -0.367) 26.168 7.892 ( -7.102 25.296 -4.887) 26.725 8.994 ( 9.835 1.957 5.245) 11.317 9.072 ( 3.183 1.866 -2.175) 4.283 9.492 ( -4.804 -1.655 6.469) 8.226 9.510 ( -6.914 0.399 4.102) 8.049 9.788 ( 2.876 -2.082 -4.508) 5.739 9.856 ( -3.781 -2.863 -9.322) 10.459 10.534 ( 3.846 9.355 4.098) 10.914 10.585 ( -1.415 9.293 -0.871) 9.440 11.386 ( 4.528 -4.361 1.122) 6.386 11.419 ( 1.348 -4.141 -2.115) 4.841 11.518 ( 4.489 4.094 2.493) 6.567 11.541 ( 2.291 3.351 1.164) 4.223 11.946 ( 1.682 -6.222 4.898) 8.095 11.967 ( -0.399 -7.711 6.189) 9.895 12.064 ( 0.116 -4.267 1.092) 4.406 12.125 ( -5.601 -3.333 2.910) 7.138 12.303 ( 2.741 -10.104 -8.303) 13.362 12.352 ( -2.216 -8.020 -8.530) 11.916 13.484 ( -0.243 7.286 -2.678) 7.766 13.506 ( -2.344 6.698 -4.673) 8.497 14.116 ( 0.933 -3.727 0.641) 3.895 14.129 ( -0.362 -3.786 -0.632) 3.856 14.417 ( 4.094 2.624 4.958) 6.945 14.468 ( -0.507 1.402 0.502) 1.573 14.543 ( 0.830 0.003 1.299) 1.542 14.551 ( 0.216 0.237 0.575) 0.659 15.293 ( -0.984 7.522 -1.589) 7.751 15.319 ( -3.283 7.006 -3.692) 8.572 16.463 ( 5.346 -9.103 8.976) 13.857 16.518 ( -0.035 -9.761 3.877) 10.503 18.790 ( -2.214 0.919 -3.751) 4.451 18.834 ( -6.389 -0.126 -7.705) 10.010 19.082 ( 0.651 -3.157 1.093) 3.403 19.122 ( -3.526 -3.487 -2.924) 5.757 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 0.000 5.007 1.392) 5.197 2.297 ( 0.000 5.694 -3.012) 6.441 2.474 ( 0.000 2.774 10.424) 10.786 2.711 ( 0.000 -0.568 8.223) 8.243 2.720 ( 0.000 -5.495 0.550) 5.522 2.793 ( 0.000 5.131 -6.040) 7.925 2.927 ( 0.000 -9.898 -8.921) 13.325 2.992 ( 0.000 1.331 -7.149) 7.272 3.052 ( 0.000 -4.361 3.584) 5.645 3.191 ( 0.000 -0.113 -6.725) 6.726 3.648 ( 0.000 -9.373 9.597) 13.414 3.867 ( 0.000 -13.962 -10.907) 17.718 5.216 ( 0.000 14.640 9.391) 17.393 5.437 ( 0.000 11.128 -12.218) 16.526 5.570 ( 0.000 -2.699 0.421) 2.732 5.668 ( 0.000 -1.185 -9.286) 9.361 6.582 ( 0.000 6.713 25.793) 26.653 6.893 ( 0.000 -6.233 11.667) 13.227 7.183 ( 0.000 22.307 13.998) 26.335 7.335 ( 0.000 9.435 5.199) 10.772 7.422 ( 0.000 19.957 -5.911) 20.814 7.645 ( 0.000 -0.864 -3.655) 3.756 8.116 ( 0.000 -9.653 -3.287) 10.197 8.209 ( 0.000 -5.681 -8.831) 10.501 8.277 ( 0.000 5.386 -1.552) 5.605 8.313 ( 0.000 3.307 -5.862) 6.730 8.831 ( 0.000 -7.408 2.736) 7.897 9.006 ( 0.000 -8.591 -8.476) 12.068 9.486 ( 0.000 -0.092 1.872) 1.874 9.574 ( 0.000 -0.096 -5.129) 5.130 10.010 ( 0.000 6.503 2.090) 6.831 10.086 ( 0.000 2.636 -4.733) 5.417 10.358 ( 0.000 -0.933 5.431) 5.511 10.419 ( 0.000 -4.117 -0.310) 4.129 10.630 ( 0.000 -5.765 5.747) 8.140 10.775 ( 0.000 -9.903 -7.601) 12.484 11.141 ( 0.000 8.875 1.640) 9.025 11.224 ( 0.000 11.685 -6.740) 13.490 11.600 ( 0.000 -9.780 8.080) 12.686 11.744 ( 0.000 -9.509 -3.310) 10.069 12.338 ( 0.000 7.687 0.786) 7.727 12.393 ( 0.000 1.946 -3.919) 4.375 12.502 ( 0.000 -0.644 4.970) 5.012 12.681 ( 0.000 -4.572 -10.728) 11.662 13.684 ( 0.000 4.651 1.858) 5.008 13.727 ( 0.000 2.875 -2.440) 3.771 14.092 ( 0.000 0.335 1.945) 1.973 14.121 ( 0.000 -0.925 -1.481) 1.746 14.270 ( 0.000 4.756 3.769) 6.069 14.359 ( 0.000 3.090 -3.630) 4.767 14.428 ( 0.000 1.010 -0.595) 1.172 14.430 ( 0.000 -1.055 -1.540) 1.867 15.415 ( 0.000 -3.948 2.833) 4.859 15.455 ( 0.000 -5.687 -1.004) 5.774 16.180 ( 0.000 3.836 10.173) 10.872 16.301 ( 0.000 -1.324 -1.552) 2.040 19.137 ( 0.000 -1.268 11.304) 11.375 19.240 ( 0.000 -6.373 1.336) 6.511 19.287 ( 0.000 -1.793 -2.192) 2.832 19.353 ( 0.000 -4.264 -8.580) 9.582 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 0.416 6.477 0.874) 6.549 2.317 ( 1.699 6.231 -4.882) 8.096 2.473 ( -0.307 3.314 10.532) 11.045 2.661 ( -2.743 1.066 0.684) 3.021 2.734 ( 0.705 -5.198 6.785) 8.576 2.846 ( 2.241 1.459 -6.547) 7.072 2.881 ( -2.091 -7.012 -0.956) 7.379 3.002 ( -0.788 -7.257 -8.921) 11.527 3.127 ( 6.596 -1.344 0.032) 6.732 3.207 ( 2.815 1.970 -4.458) 5.628 3.657 ( 1.135 -9.374 7.942) 12.338 3.848 ( -1.843 -13.136 -9.772) 16.476 5.292 ( 7.621 15.109 9.204) 19.264 5.505 ( 6.844 11.736 -11.543) 17.827 5.645 ( 7.784 -2.508 1.480) 8.311 5.754 ( 8.668 -1.645 -8.887) 12.523 6.494 ( -8.011 7.153 25.580) 27.743 6.807 ( -8.366 -4.898 9.983) 13.916 7.177 ( -4.288 18.497 10.253) 21.579 7.223 ( -6.546 9.101 6.899) 13.163 7.425 ( -1.448 10.651 -4.326) 11.587 7.562 ( -9.303 1.520 -13.961) 16.845 7.999 ( -9.652 -6.742 -2.517) 12.040 8.107 ( -10.136 -6.574 -9.586) 15.422 8.310 ( 3.704 6.212 2.916) 7.798 8.419 ( 7.364 6.066 -4.963) 10.755 8.747 ( -4.682 -1.040 6.235) 7.866 8.993 ( -3.202 -3.545 -13.351) 14.180 9.502 ( 0.967 2.544 2.930) 3.999 9.587 ( -0.455 -0.247 -3.758) 3.794 9.901 ( -6.386 -8.400 4.162) 11.343 9.964 ( -6.312 -8.864 -1.934) 11.052 10.423 ( 4.960 8.058 6.698) 11.593 10.564 ( 10.342 8.101 -6.760) 14.775 10.787 ( 13.061 -8.840 6.805) 17.177 10.896 ( 10.486 -8.113 -4.253) 13.923 11.162 ( 2.259 7.928 2.097) 8.506 11.248 ( 2.602 10.811 -6.523) 12.891 11.614 ( 1.636 -10.406 8.013) 13.235 11.766 ( 2.295 -9.866 -4.129) 10.939 12.276 ( -6.027 6.707 -0.220) 9.020 12.331 ( -5.686 1.599 -3.472) 6.852 12.451 ( -4.946 -1.485 4.151) 6.626 12.611 ( -6.897 -5.000 -9.786) 12.975 13.688 ( 0.325 4.891 1.028) 5.009 13.723 ( -0.424 3.246 -2.424) 4.073 14.082 ( -0.990 -0.093 1.625) 1.905 14.112 ( -0.899 -1.163 -1.619) 2.187 14.290 ( 2.005 4.719 4.119) 6.577 14.372 ( 1.275 2.479 -2.640) 3.839 14.439 ( 1.621 0.548 -0.442) 1.768 14.461 ( 2.365 0.335 -2.573) 3.511 15.438 ( 2.176 -3.216 2.553) 4.647 15.469 ( 1.220 -4.413 -0.461) 4.602 16.169 ( -0.888 2.508 9.747) 10.103 16.283 ( -1.504 -2.250 -1.251) 2.982 19.119 ( -1.859 -1.547 9.823) 10.117 19.203 ( -3.837 -5.772 -0.022) 6.931 19.236 ( -5.047 -1.255 -1.562) 5.430 19.320 ( -3.332 -4.451 -7.955) 9.706 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.959 8.738 -0.093) 8.791 2.348 ( 1.117 8.719 -8.047) 11.917 2.455 ( -1.767 4.914 10.455) 11.687 2.616 ( -2.479 3.459 -1.745) 4.599 2.738 ( -0.023 -6.786 7.789) 10.330 2.841 ( -1.580 -3.185 -4.767) 5.947 2.864 ( 0.370 -8.028 2.502) 8.417 2.990 ( -0.075 -7.960 -7.619) 11.019 3.244 ( 5.281 0.655 0.712) 5.369 3.311 ( 6.038 2.818 -3.854) 7.697 3.708 ( 4.483 -11.661 3.251) 12.909 3.808 ( -1.642 -12.427 -5.894) 13.852 5.491 ( 12.104 16.969 8.713) 22.591 5.682 ( 10.661 13.779 -9.437) 19.813 5.862 ( 14.008 -1.419 4.359) 14.739 5.984 ( 14.451 -1.828 -6.003) 15.755 6.322 ( -8.601 5.116 23.763) 25.784 6.616 ( -9.762 -3.360 6.708) 12.312 6.950 ( -13.512 9.447 -5.792) 17.475 7.167 ( -5.746 2.408 8.289) 10.369 7.273 ( -16.491 1.957 -17.805) 24.348 7.331 ( -10.813 1.757 -4.244) 11.748 7.793 ( -10.717 -1.268 -4.540) 11.708 7.845 ( -16.530 -5.105 -8.198) 19.144 8.397 ( 4.294 11.199 4.825) 12.928 8.510 ( 0.584 16.358 -6.660) 17.671 8.718 ( 3.244 3.099 13.649) 14.368 8.961 ( 1.582 5.367 -8.788) 10.418 9.505 ( 0.609 -7.327 0.523) 7.370 9.531 ( -4.401 -5.706 -1.370) 7.335 9.849 ( -0.123 -6.849 0.674) 6.883 9.882 ( -3.959 -5.850 -2.838) 7.612 10.560 ( 7.995 10.377 9.679) 16.287 10.724 ( 6.487 5.902 -5.833) 10.533 11.019 ( 9.068 -2.686 6.878) 11.694 11.098 ( 9.157 -4.302 -1.295) 10.200 11.253 ( 8.017 4.737 2.358) 9.606 11.335 ( 6.828 7.138 -5.730) 11.420 11.662 ( 3.123 -11.553 8.157) 14.483 11.829 ( 3.892 -10.599 -5.231) 12.444 12.130 ( -8.235 3.688 -1.013) 9.079 12.203 ( -7.115 0.697 -5.174) 8.825 12.334 ( -6.558 -3.561 2.519) 7.877 12.438 ( -10.226 -6.067 -7.089) 13.843 13.689 ( -0.372 6.031 -0.546) 6.067 13.711 ( -0.723 4.363 -2.642) 5.151 14.058 ( -1.413 -1.532 0.767) 2.221 14.086 ( -1.752 -2.245 -1.842) 3.391 14.342 ( 3.212 4.272 4.510) 6.993 14.406 ( 2.262 1.428 -0.800) 2.793 14.484 ( 2.711 1.111 -0.504) 2.973 14.511 ( 2.548 0.645 -3.039) 4.018 15.481 ( 1.420 0.381 2.043) 2.517 15.495 ( 1.747 0.480 0.470) 1.871 16.155 ( -0.337 -1.925 8.953) 9.164 16.258 ( -0.845 -5.880 -0.781) 5.991 19.063 ( -4.541 -1.946 3.626) 6.128 19.093 ( -7.129 -2.926 -0.974) 7.767 19.116 ( -6.405 -1.362 0.366) 6.559 19.231 ( -5.633 -4.815 -6.734) 10.013 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.250 10.654 0.117) 10.657 2.345 ( -1.835 13.548 -3.859) 14.206 2.417 ( -0.963 5.839 4.051) 7.172 2.545 ( -4.381 6.568 -4.325) 9.002 2.756 ( 2.083 -7.970 6.466) 10.472 2.843 ( 1.494 -7.168 -1.557) 7.486 2.885 ( 1.667 -7.483 3.901) 8.601 2.991 ( -0.200 -7.940 -4.951) 9.360 3.324 ( 3.061 3.590 0.936) 4.810 3.386 ( 1.525 4.049 -4.174) 6.012 3.812 ( 2.398 -15.251 0.406) 15.444 3.821 ( 6.343 -17.167 -0.353) 18.304 5.708 ( 8.955 19.479 8.301) 22.990 5.876 ( 7.871 19.414 -7.523) 22.259 6.113 ( 8.261 0.603 11.930) 14.524 6.200 ( -2.622 1.325 18.871) 19.098 6.278 ( 15.585 -0.809 0.270) 15.609 6.523 ( 1.834 -3.667 -8.109) 9.086 6.737 ( -6.369 1.733 -13.304) 14.851 6.830 ( -21.433 -0.229 -20.334) 29.545 7.051 ( -12.155 -0.501 0.664) 12.183 7.099 ( -11.547 -2.728 -0.738) 11.887 7.496 ( -16.851 -2.454 0.802) 17.047 7.600 ( -10.741 -4.327 -7.603) 13.853 8.442 ( 0.544 23.319 4.441) 23.744 8.497 ( -0.720 22.308 -1.575) 22.375 8.852 ( 9.070 3.073 11.021) 14.600 9.035 ( 4.984 3.465 -6.486) 8.883 9.464 ( -2.176 -7.833 4.327) 9.209 9.543 ( 2.587 -7.733 -3.674) 8.943 9.774 ( -6.802 -1.019 -0.020) 6.878 9.833 ( -2.137 -3.745 -5.586) 7.056 10.696 ( 5.908 12.151 8.544) 15.986 10.816 ( 2.878 9.392 -3.066) 10.290 11.156 ( 6.302 -3.587 6.290) 9.599 11.236 ( 5.310 -4.380 -1.203) 6.987 11.446 ( 10.567 2.842 2.157) 11.153 11.495 ( 8.480 3.780 -3.005) 9.758 11.729 ( 3.896 -10.860 8.267) 14.194 11.899 ( 2.221 -6.533 -0.802) 6.947 11.988 ( -5.204 -4.669 -6.154) 9.314 12.060 ( -7.468 -1.478 -5.582) 9.440 12.195 ( -8.757 -5.328 0.952) 10.294 12.257 ( -7.134 -8.401 -5.121) 12.153 13.676 ( -0.763 7.897 -1.578) 8.089 13.695 ( -0.942 6.527 -3.361) 7.402 14.030 ( -1.372 -3.808 0.060) 4.048 14.051 ( -1.742 -4.375 -1.810) 5.045 14.409 ( 3.628 3.423 4.220) 6.533 14.457 ( 2.806 0.968 0.096) 2.970 14.529 ( 1.654 0.646 0.040) 1.776 14.548 ( 1.081 0.280 -1.704) 2.037 15.496 ( 0.737 7.867 2.369) 8.249 15.528 ( 1.180 7.422 -0.511) 7.533 16.163 ( 1.296 -8.966 8.464) 12.398 16.252 ( -0.053 -11.680 0.205) 11.681 18.926 ( -7.346 1.520 -1.910) 7.741 18.959 ( -7.069 -1.430 -4.693) 8.604 19.028 ( -2.935 -3.071 3.347) 5.408 19.116 ( -5.781 -5.228 -5.294) 9.422 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -0.079 13.810 2.123) 13.973 2.294 ( -2.358 15.533 2.271) 15.874 2.432 ( 1.885 6.935 -4.002) 8.226 2.476 ( -2.701 7.401 -5.502) 9.610 2.807 ( 2.728 -7.111 5.632) 9.473 2.848 ( -1.254 -6.803 3.515) 7.760 2.933 ( 2.765 -8.740 -1.181) 9.243 2.975 ( -1.533 -8.338 -3.318) 9.104 3.369 ( 1.633 5.283 0.054) 5.530 3.389 ( -0.590 5.539 -1.877) 5.878 3.882 ( 3.706 -19.882 3.477) 20.521 3.908 ( 1.717 -21.007 1.232) 21.113 5.836 ( 5.458 19.083 4.009) 20.249 5.923 ( -2.482 21.911 -3.557) 22.337 6.142 ( 1.987 -0.208 7.100) 7.376 6.263 ( -2.770 1.070 3.304) 4.443 6.441 ( 1.980 1.713 -5.655) 6.232 6.570 ( 0.471 4.904 -12.733) 13.653 6.652 ( 10.134 -2.997 0.874) 10.604 6.736 ( -4.045 -2.639 -1.895) 5.188 6.819 ( -4.387 -0.718 -4.638) 6.425 6.914 ( -7.466 0.025 -9.754) 12.283 7.262 ( -4.121 -9.583 4.346) 11.301 7.378 ( -11.545 -9.946 -6.605) 16.609 8.452 ( 0.893 28.602 2.945) 28.767 8.476 ( -1.386 27.498 0.562) 27.539 9.025 ( 7.742 -0.227 5.527) 9.515 9.103 ( 0.467 -0.344 -2.222) 2.296 9.451 ( 1.551 -1.351 5.722) 6.080 9.532 ( -5.011 1.614 -0.863) 5.335 9.706 ( 1.690 -5.809 -2.497) 6.545 9.771 ( -3.828 -5.172 -7.312) 9.740 10.790 ( 3.718 13.790 5.038) 15.145 10.835 ( -0.812 13.172 0.689) 13.215 11.265 ( 4.310 -6.848 3.690) 8.893 11.300 ( 0.913 -6.928 0.471) 7.004 11.622 ( 6.613 4.276 1.251) 7.974 11.634 ( 5.321 5.431 -0.907) 7.657 11.799 ( 1.706 -6.506 4.495) 8.090 11.837 ( -4.873 -2.684 2.768) 6.214 11.943 ( -1.827 -5.884 -1.498) 6.340 12.017 ( -2.286 -7.423 -2.703) 8.224 12.031 ( -0.242 -13.349 -3.640) 13.839 12.140 ( -5.966 -11.033 -7.519) 14.624 13.667 ( -0.002 9.281 -2.586) 9.634 13.677 ( -0.860 8.802 -3.456) 9.495 14.013 ( -0.211 -5.939 -0.450) 5.960 14.022 ( -1.089 -6.203 -1.307) 6.432 14.475 ( 2.909 2.493 2.851) 4.775 14.500 ( 0.950 1.469 0.467) 1.810 14.542 ( 0.117 -0.087 1.145) 1.154 14.553 ( -0.461 -0.137 0.144) 0.502 15.516 ( 1.238 13.262 1.072) 13.362 15.535 ( -0.446 13.173 -0.567) 13.193 16.202 ( 2.391 -14.924 6.753) 16.555 16.241 ( -1.333 -15.785 3.138) 16.149 18.827 ( -2.285 2.710 -3.537) 5.007 18.846 ( -3.948 1.480 -5.163) 6.666 18.995 ( -0.231 -4.692 -0.230) 4.704 19.025 ( -3.312 -5.390 -3.195) 7.087 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 0.000 -8.476 5.445) 10.074 2.404 ( 0.000 8.476 5.445) 10.074 2.508 ( 0.000 -12.946 1.471) 13.029 2.508 ( 0.000 12.946 1.471) 13.029 2.735 ( 0.000 -5.112 -2.365) 5.633 2.735 ( 0.000 5.112 -2.365) 5.633 2.902 ( 0.000 -4.934 -8.922) 10.195 2.902 ( 0.000 4.934 -8.922) 10.195 3.155 ( 0.000 -6.206 4.202) 7.494 3.155 ( 0.000 6.206 4.202) 7.494 3.622 ( 0.000 -7.554 -5.467) 9.325 3.622 ( 0.000 7.554 -5.467) 9.325 5.459 ( 0.000 -8.118 4.731) 9.396 5.459 ( 0.000 8.118 4.731) 9.396 5.609 ( 0.000 -4.965 -10.497) 11.612 5.609 ( 0.000 4.965 -10.497) 11.612 6.740 ( 0.000 -7.880 20.122) 21.610 6.740 ( 0.000 7.880 20.122) 21.610 7.481 ( 0.000 -7.018 9.111) 11.501 7.481 ( 0.000 7.018 9.111) 11.501 7.646 ( 0.000 -13.615 -3.242) 13.995 7.646 ( 0.000 13.615 -3.242) 13.995 8.040 ( 0.000 -8.249 -4.023) 9.178 8.040 ( 0.000 8.249 -4.023) 9.178 8.366 ( 0.000 -0.484 -0.949) 1.065 8.366 ( 0.000 0.484 -0.949) 1.065 8.792 ( 0.000 -6.407 -11.260) 12.955 8.792 ( 0.000 6.407 -11.260) 12.955 9.539 ( 0.000 -3.038 0.829) 3.149 9.539 ( 0.000 3.038 0.829) 3.149 10.102 ( 0.000 -1.635 -1.195) 2.025 10.102 ( 0.000 1.635 -1.195) 2.025 10.359 ( 0.000 -1.299 4.015) 4.220 10.359 ( 0.000 1.299 4.015) 4.220 10.609 ( 0.000 -4.349 -3.054) 5.314 10.609 ( 0.000 4.349 -3.054) 5.314 11.339 ( 0.000 -8.153 4.015) 9.088 11.339 ( 0.000 8.153 4.015) 9.088 11.521 ( 0.000 -9.722 -5.841) 11.342 11.521 ( 0.000 9.722 -5.841) 11.342 12.424 ( 0.000 -0.363 3.742) 3.760 12.424 ( 0.000 0.363 3.742) 3.760 12.558 ( 0.000 -6.296 -6.231) 8.858 12.558 ( 0.000 6.296 -6.231) 8.858 13.750 ( 0.000 -1.102 -0.859) 1.397 13.750 ( 0.000 1.102 -0.859) 1.397 14.101 ( 0.000 -0.701 1.020) 1.238 14.101 ( 0.000 0.701 1.020) 1.238 14.363 ( 0.000 -3.326 1.876) 3.819 14.363 ( 0.000 3.326 1.876) 3.819 14.430 ( 0.000 -0.987 -3.053) 3.209 14.430 ( 0.000 0.987 -3.053) 3.209 15.376 ( 0.000 -0.984 0.712) 1.215 15.376 ( 0.000 0.984 0.712) 1.215 16.255 ( 0.000 -3.032 4.392) 5.336 16.255 ( 0.000 3.032 4.392) 5.336 19.145 ( 0.000 -2.382 6.601) 7.017 19.145 ( 0.000 2.382 6.601) 7.017 19.285 ( 0.000 -1.749 -5.829) 6.086 19.285 ( 0.000 1.749 -5.829) 6.086 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 1.959 -8.266 5.595) 10.172 2.425 ( 1.959 8.266 5.595) 10.172 2.526 ( 1.694 -12.277 0.282) 12.397 2.526 ( 1.694 12.277 0.282) 12.397 2.711 ( -2.393 -4.957 0.892) 5.576 2.711 ( -2.393 4.957 0.892) 5.576 2.891 ( -1.445 -3.380 -11.517) 12.090 2.891 ( -1.445 3.380 -11.517) 12.090 3.196 ( 4.391 -4.640 4.729) 7.948 3.196 ( 4.391 4.640 4.729) 7.948 3.625 ( 0.197 -6.607 -5.251) 8.442 3.625 ( 0.197 6.607 -5.251) 8.442 5.535 ( 7.771 -7.776 5.230) 12.174 5.535 ( 7.771 7.776 5.230) 12.174 5.690 ( 8.331 -5.071 -10.015) 13.979 5.690 ( 8.331 5.071 -10.015) 13.979 6.661 ( -7.600 -8.202 20.281) 23.159 6.661 ( -7.600 8.202 20.281) 23.159 7.368 ( -10.532 -4.217 4.113) 12.067 7.368 ( -10.532 4.217 4.113) 12.067 7.573 ( -8.269 -8.968 -6.620) 13.879 7.573 ( -8.269 8.968 -6.620) 13.879 7.961 ( -6.979 -5.688 -4.495) 10.063 7.961 ( -6.979 5.688 -4.495) 10.063 8.471 ( 8.484 -6.161 6.227) 12.194 8.471 ( 8.484 6.161 6.227) 12.194 8.790 ( 1.507 -10.621 -12.166) 16.220 8.790 ( 1.507 10.621 -12.166) 16.220 9.635 ( 6.114 -5.559 1.512) 8.401 9.635 ( 6.114 5.559 1.512) 8.401 9.773 ( -17.869 -5.474 -1.525) 18.750 9.773 ( -17.869 5.474 -1.525) 18.750 10.590 ( 6.590 -7.270 5.889) 11.444 10.590 ( 6.590 7.270 5.889) 11.444 10.740 ( 16.695 -6.329 -4.009) 18.299 10.740 ( 16.695 6.329 -4.009) 18.299 11.358 ( 1.865 -9.323 4.738) 10.623 11.358 ( 1.865 9.323 4.738) 10.623 11.528 ( 0.799 -11.058 -6.728) 12.969 11.528 ( 0.799 11.058 -6.728) 12.969 12.359 ( -6.084 -0.963 2.952) 6.831 12.359 ( -6.084 0.963 2.952) 6.831 12.486 ( -7.089 -5.876 -5.666) 10.812 12.486 ( -7.089 5.876 -5.666) 10.812 13.754 ( 0.415 -0.820 -1.150) 1.472 13.754 ( 0.415 0.820 -1.150) 1.472 14.086 ( -1.461 -0.835 0.445) 1.741 14.086 ( -1.461 0.835 0.445) 1.741 14.375 ( 1.194 -2.638 2.241) 3.662 14.375 ( 1.194 2.638 2.241) 3.662 14.457 ( 2.454 -1.022 -3.096) 4.081 14.457 ( 2.454 1.022 -3.096) 4.081 15.407 ( 3.106 -0.806 1.045) 3.375 15.407 ( 3.106 0.806 1.045) 3.375 16.229 ( -2.628 -2.888 4.269) 5.786 16.229 ( -2.628 2.888 4.269) 5.786 19.119 ( -2.663 -1.926 5.117) 6.081 19.119 ( -2.663 1.926 5.117) 6.081 19.245 ( -3.971 -2.199 -5.109) 6.834 19.245 ( -3.971 2.199 -5.109) 6.834 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 1.947 -7.440 5.463) 9.433 2.467 ( 1.947 7.440 5.463) 9.433 2.568 ( 2.623 -8.350 -2.210) 9.027 2.568 ( 2.623 8.350 -2.210) 9.027 2.655 ( -2.901 -3.414 3.889) 5.932 2.655 ( -2.901 3.415 3.889) 5.932 2.853 ( -1.877 -3.974 -9.625) 10.581 2.853 ( -1.877 3.974 -9.625) 10.581 3.309 ( 6.436 -3.589 2.852) 7.902 3.309 ( 6.436 3.589 2.852) 7.902 3.624 ( -0.332 -4.057 -4.416) 6.006 3.624 ( -0.333 4.057 -4.416) 6.006 5.742 ( 12.796 -6.620 6.319) 15.732 5.742 ( 12.796 6.620 6.319) 15.732 5.923 ( 15.394 -4.806 -7.433) 17.757 5.923 ( 15.394 4.806 -7.433) 17.757 6.479 ( -10.070 -8.649 17.244) 21.762 6.479 ( -10.070 8.649 17.244) 21.762 7.113 ( -15.493 -5.660 -6.407) 17.695 7.113 ( -15.493 5.660 -6.407) 17.695 7.336 ( -14.838 -2.003 -7.861) 16.910 7.336 ( -14.838 2.003 -7.861) 16.910 7.779 ( -12.080 -0.890 -4.002) 12.756 7.779 ( -12.080 0.890 -4.002) 12.756 8.636 ( 8.127 -9.800 12.277) 17.686 8.636 ( 8.127 9.800 12.277) 17.686 8.875 ( 6.248 -14.171 -10.557) 18.743 8.875 ( 6.248 14.171 -10.557) 18.743 9.449 ( -10.089 -2.399 1.704) 10.510 9.449 ( -10.089 2.399 1.704) 10.510 9.785 ( 3.625 -1.925 -2.934) 5.045 9.785 ( 3.625 1.925 -2.934) 5.045 10.707 ( 7.115 -4.505 4.340) 9.474 10.707 ( 7.115 4.505 4.340) 9.474 11.046 ( 12.382 -2.103 0.869) 12.590 11.046 ( 12.382 2.103 0.869) 12.590 11.412 ( 4.041 -10.398 5.596) 12.481 11.412 ( 4.041 10.398 5.596) 12.481 11.560 ( 2.721 -12.910 -7.928) 15.392 11.560 ( 2.721 12.910 -7.928) 15.392 12.219 ( -7.791 -2.504 0.395) 8.193 12.219 ( -7.791 2.504 0.395) 8.193 12.309 ( -10.598 -4.454 -3.962) 12.160 12.309 ( -10.598 4.454 -3.962) 12.160 13.765 ( 0.690 -0.286 -1.724) 1.879 13.765 ( 0.690 0.286 -1.724) 1.879 14.044 ( -2.891 -0.895 -0.603) 3.086 14.044 ( -2.891 0.895 -0.603) 3.086 14.408 ( 2.245 -1.664 2.567) 3.794 14.408 ( 2.245 1.664 2.567) 3.794 14.508 ( 2.485 -0.947 -2.602) 3.720 14.508 ( 2.485 0.947 -2.602) 3.720 15.494 ( 5.800 -0.570 1.800) 6.099 15.494 ( 5.800 0.570 1.800) 6.099 16.160 ( -4.360 -2.708 3.813) 6.394 16.160 ( -4.360 2.708 3.813) 6.394 19.045 ( -4.780 -0.672 1.595) 5.084 19.045 ( -4.780 0.672 1.595) 5.084 19.142 ( -6.308 -3.126 -3.511) 7.867 19.142 ( -6.308 3.126 -3.511) 7.867 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 0.775 -6.791 3.983) 7.911 2.491 ( 0.775 6.791 3.983) 7.911 2.586 ( -1.930 -4.939 1.451) 5.498 2.586 ( -1.930 4.939 1.451) 5.498 2.651 ( 3.685 -7.176 -0.957) 8.123 2.651 ( 3.685 7.176 -0.957) 8.123 2.828 ( -1.035 -5.284 -4.508) 7.023 2.828 ( -1.035 5.284 -4.508) 7.023 3.426 ( 5.563 -3.699 1.058) 6.764 3.426 ( 5.563 3.699 1.058) 6.764 3.613 ( -0.838 -1.759 -2.531) 3.194 3.613 ( -0.838 1.759 -2.531) 3.194 5.974 ( 9.156 -6.087 9.610) 14.602 5.974 ( 9.156 6.087 9.610) 14.602 6.237 ( 11.964 -2.909 2.398) 12.544 6.237 ( 11.964 2.909 2.398) 12.544 6.352 ( 2.528 -12.368 -0.484) 12.633 6.352 ( 2.528 12.368 -0.484) 12.633 6.791 ( -15.746 -3.170 -13.750) 21.144 6.791 ( -15.746 3.170 -13.750) 21.144 7.057 ( -13.220 -1.020 -3.280) 13.659 7.057 ( -13.220 1.020 -3.280) 13.659 7.499 ( -16.449 -3.430 -3.497) 17.163 7.499 ( -16.449 3.430 -3.497) 17.163 8.782 ( 6.906 -7.157 10.293) 14.313 8.782 ( 6.906 7.157 10.293) 14.313 8.968 ( 2.234 -12.494 -3.822) 13.255 8.968 ( 2.234 12.494 -3.822) 13.255 9.381 ( 2.614 -3.686 -0.849) 4.598 9.381 ( 2.614 3.686 -0.850) 4.598 9.779 ( -3.960 -1.448 -3.339) 5.378 9.779 ( -3.960 1.448 -3.339) 5.378 10.865 ( 8.858 -3.561 4.216) 10.437 10.865 ( 8.858 3.561 4.216) 10.437 11.181 ( 1.870 -3.196 4.183) 5.586 11.181 ( 1.870 3.196 4.183) 5.586 11.528 ( 7.622 -6.525 3.379) 10.587 11.528 ( 7.622 6.525 3.378) 10.587 11.640 ( 5.810 -10.919 -7.068) 14.246 11.640 ( 5.810 10.919 -7.068) 14.246 12.069 ( -8.090 -4.740 -2.047) 9.597 12.069 ( -8.090 4.740 -2.047) 9.597 12.099 ( -10.346 -0.983 -2.228) 10.629 12.099 ( -10.346 0.983 -2.228) 10.629 13.785 ( 1.510 -0.370 -2.089) 2.604 13.785 ( 1.510 0.370 -2.089) 2.604 13.976 ( -4.024 -0.773 -1.442) 4.344 13.976 ( -4.024 0.773 -1.442) 4.344 14.459 ( 2.880 -1.144 2.371) 3.902 14.459 ( 2.880 1.144 2.371) 3.902 14.543 ( 0.996 -0.640 -1.332) 1.782 14.543 ( 0.996 0.640 -1.332) 1.782 15.626 ( 7.768 -1.422 2.521) 8.289 15.626 ( 7.768 1.422 2.521) 8.289 16.063 ( -5.699 -2.877 3.200) 7.141 16.063 ( -5.699 2.877 3.200) 7.141 18.950 ( -4.458 -0.703 -1.479) 4.749 18.950 ( -4.458 0.703 -1.479) 4.749 19.017 ( -6.241 -3.324 -2.708) 7.572 19.017 ( -6.241 3.324 -2.708) 7.572 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 1.521 -5.834 3.348) 6.897 2.512 ( 1.521 5.834 3.348) 6.897 2.547 ( -1.987 -4.779 2.147) 5.604 2.547 ( -1.987 4.779 2.147) 5.604 2.731 ( 4.027 -5.821 -2.050) 7.369 2.731 ( 4.027 5.821 -2.050) 7.369 2.796 ( -2.520 -5.444 -2.587) 6.532 2.796 ( -2.520 5.444 -2.587) 6.532 3.522 ( 4.325 -3.600 0.828) 5.688 3.522 ( 4.325 3.600 0.828) 5.688 3.586 ( -2.198 -3.258 -0.123) 3.932 3.586 ( -2.198 3.258 -0.123) 3.932 6.081 ( 5.092 -5.837 5.910) 9.743 6.081 ( 5.092 5.837 5.910) 9.743 6.231 ( -8.212 -6.813 -5.585) 12.043 6.231 ( -8.212 6.813 -5.585) 12.043 6.552 ( 9.276 -6.625 2.006) 11.574 6.552 ( 9.276 6.625 2.006) 11.574 6.701 ( 1.615 -3.157 -6.108) 7.063 6.701 ( 1.615 3.157 -6.108) 7.063 6.874 ( 1.595 -7.191 -4.786) 8.784 6.874 ( 1.595 7.191 -4.786) 8.784 7.159 ( -18.379 -6.641 -4.679) 20.094 7.159 ( -18.379 6.641 -4.679) 20.094 8.897 ( 4.839 -8.688 6.237) 11.739 8.897 ( 4.839 8.688 6.237) 11.739 8.965 ( -2.079 -11.243 1.685) 11.557 8.965 ( -2.079 11.243 1.685) 11.557 9.498 ( 8.052 -5.711 -2.656) 10.223 9.498 ( 8.052 5.711 -2.656) 10.223 9.657 ( -7.878 -4.134 -3.268) 9.478 9.657 ( -7.878 4.134 -3.268) 9.478 11.030 ( 7.755 -3.105 4.449) 9.464 11.030 ( 7.755 3.105 4.449) 9.464 11.151 ( -4.376 -2.938 4.976) 7.249 11.151 ( -4.376 2.938 4.976) 7.249 11.685 ( 8.634 -3.032 -0.084) 9.152 11.685 ( 8.634 3.032 -0.084) 9.152 11.774 ( 6.704 -7.127 -5.638) 11.293 11.774 ( 6.704 7.127 -5.638) 11.293 11.883 ( -9.031 -4.950 0.670) 10.321 11.883 ( -9.031 4.950 0.670) 10.321 11.939 ( -7.468 -6.047 -3.561) 10.248 11.939 ( -7.468 6.047 -3.561) 10.248 13.827 ( 2.928 -0.618 -2.148) 3.683 13.827 ( 2.928 0.618 -2.148) 3.683 13.896 ( -4.067 -0.715 -1.947) 4.566 13.896 ( -4.067 0.715 -1.947) 4.566 14.512 ( 2.382 -0.807 1.584) 2.973 14.512 ( 2.382 0.807 1.584) 2.973 14.544 ( -0.847 -0.516 0.259) 1.024 14.544 ( -0.847 0.516 0.259) 1.024 15.785 ( 8.339 -2.495 2.865) 9.164 15.785 ( 8.339 2.495 2.865) 9.164 15.938 ( -7.290 -3.030 2.915) 8.415 15.938 ( -7.290 3.030 2.915) 8.415 18.894 ( -0.996 -1.741 -2.837) 3.475 18.894 ( -0.996 1.741 -2.837) 3.475 18.919 ( -3.484 -2.599 -2.955) 5.256 18.919 ( -3.484 2.599 -2.955) 5.256 =================== 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 1260.107 765.074 1285.921 0.000 0.000 0.000 3/29160 20.0 305.891 249.022 286.000 0.000 0.000 0.000 3/29160 30.0 132.094 115.932 132.685 0.000 0.000 0.000 3/29160 40.0 76.875 70.912 79.241 0.000 0.000 0.000 3/29160 50.0 51.205 48.846 53.367 0.000 0.000 0.000 3/29160 60.0 36.974 36.025 38.804 0.000 0.000 0.000 3/29160 70.0 28.256 27.882 29.808 0.000 0.000 0.000 3/29160 80.0 22.535 22.397 23.869 0.000 0.000 0.000 3/29160 90.0 18.576 18.534 19.739 0.000 0.000 0.000 3/29160 100.0 15.719 15.713 16.745 0.000 0.000 0.000 3/29160 110.0 13.582 13.589 14.499 0.000 0.000 0.000 3/29160 120.0 11.937 11.946 12.764 0.000 0.000 0.000 3/29160 130.0 10.639 10.646 11.391 0.000 0.000 0.000 3/29160 140.0 9.592 9.596 10.283 0.000 0.000 0.000 3/29160 150.0 8.733 8.734 9.371 0.000 0.000 0.000 3/29160 160.0 8.016 8.015 8.609 0.000 0.000 0.000 3/29160 170.0 7.409 7.407 7.964 0.000 0.000 0.000 3/29160 180.0 6.890 6.886 7.411 0.000 0.000 0.000 3/29160 190.0 6.440 6.436 6.932 0.000 0.000 0.000 3/29160 200.0 6.048 6.042 6.514 0.000 0.000 0.000 3/29160 210.0 5.701 5.696 6.145 0.000 0.000 0.000 3/29160 220.0 5.394 5.388 5.817 0.000 0.000 0.000 3/29160 230.0 5.119 5.114 5.523 0.000 0.000 0.000 3/29160 240.0 4.872 4.867 5.259 0.000 0.000 0.000 3/29160 250.0 4.649 4.643 5.020 0.000 0.000 0.000 3/29160 260.0 4.446 4.440 4.803 0.000 0.000 0.000 3/29160 270.0 4.260 4.255 4.605 0.000 0.000 0.000 3/29160 280.0 4.090 4.085 4.423 0.000 0.000 0.000 3/29160 290.0 3.933 3.929 4.255 0.000 0.000 0.000 3/29160 300.0 3.789 3.785 4.100 0.000 0.000 0.000 3/29160 310.0 3.655 3.651 3.956 0.000 0.000 0.000 3/29160 320.0 3.530 3.527 3.823 0.000 0.000 0.000 3/29160 330.0 3.414 3.411 3.698 0.000 0.000 0.000 3/29160 340.0 3.306 3.303 3.582 0.000 0.000 0.000 3/29160 350.0 3.204 3.201 3.472 0.000 0.000 0.000 3/29160 360.0 3.109 3.106 3.370 0.000 0.000 0.000 3/29160 370.0 3.019 3.017 3.274 0.000 0.000 0.000 3/29160 380.0 2.935 2.933 3.183 0.000 0.000 0.000 3/29160 390.0 2.855 2.853 3.097 0.000 0.000 0.000 3/29160 400.0 2.780 2.778 3.016 0.000 0.000 0.000 3/29160 410.0 2.708 2.706 2.939 0.000 0.000 0.000 3/29160 420.0 2.640 2.639 2.866 0.000 0.000 0.000 3/29160 430.0 2.576 2.574 2.796 0.000 0.000 0.000 3/29160 440.0 2.515 2.513 2.730 0.000 0.000 0.000 3/29160 450.0 2.456 2.455 2.667 0.000 0.000 0.000 3/29160 460.0 2.401 2.400 2.607 0.000 0.000 0.000 3/29160 470.0 2.348 2.347 2.550 0.000 0.000 0.000 3/29160 480.0 2.297 2.296 2.495 0.000 0.000 0.000 3/29160 490.0 2.248 2.247 2.442 0.000 0.000 0.000 3/29160 500.0 2.202 2.201 2.392 0.000 0.000 0.000 3/29160 510.0 2.157 2.156 2.344 0.000 0.000 0.000 3/29160 520.0 2.114 2.114 2.298 0.000 0.000 0.000 3/29160 530.0 2.073 2.073 2.253 0.000 0.000 0.000 3/29160 540.0 2.034 2.033 2.210 0.000 0.000 0.000 3/29160 550.0 1.996 1.995 2.169 0.000 0.000 0.000 3/29160 560.0 1.959 1.959 2.130 0.000 0.000 0.000 3/29160 570.0 1.924 1.923 2.091 0.000 0.000 0.000 3/29160 580.0 1.890 1.889 2.055 0.000 0.000 0.000 3/29160 590.0 1.857 1.857 2.019 0.000 0.000 0.000 3/29160 600.0 1.825 1.825 1.985 0.000 0.000 0.000 3/29160 610.0 1.795 1.794 1.952 0.000 0.000 0.000 3/29160 620.0 1.765 1.765 1.920 0.000 0.000 0.000 3/29160 630.0 1.736 1.736 1.889 0.000 0.000 0.000 3/29160 640.0 1.709 1.709 1.859 0.000 0.000 0.000 3/29160 650.0 1.682 1.682 1.830 0.000 0.000 0.000 3/29160 660.0 1.656 1.656 1.801 0.000 0.000 0.000 3/29160 670.0 1.631 1.631 1.774 0.000 0.000 0.000 3/29160 680.0 1.606 1.606 1.748 0.000 0.000 0.000 3/29160 690.0 1.583 1.583 1.722 0.000 0.000 0.000 3/29160 700.0 1.560 1.560 1.697 0.000 0.000 0.000 3/29160 710.0 1.537 1.538 1.673 0.000 0.000 0.000 3/29160 720.0 1.516 1.516 1.649 0.000 0.000 0.000 3/29160 730.0 1.495 1.495 1.626 0.000 0.000 0.000 3/29160 740.0 1.474 1.474 1.604 0.000 0.000 0.000 3/29160 750.0 1.454 1.454 1.583 0.000 0.000 0.000 3/29160 760.0 1.435 1.435 1.562 0.000 0.000 0.000 3/29160 770.0 1.416 1.416 1.541 0.000 0.000 0.000 3/29160 780.0 1.398 1.398 1.521 0.000 0.000 0.000 3/29160 790.0 1.380 1.380 1.502 0.000 0.000 0.000 3/29160 800.0 1.362 1.362 1.483 0.000 0.000 0.000 3/29160 810.0 1.345 1.345 1.464 0.000 0.000 0.000 3/29160 820.0 1.329 1.329 1.446 0.000 0.000 0.000 3/29160 830.0 1.312 1.313 1.429 0.000 0.000 0.000 3/29160 840.0 1.297 1.297 1.411 0.000 0.000 0.000 3/29160 850.0 1.281 1.281 1.395 0.000 0.000 0.000 3/29160 860.0 1.266 1.266 1.378 0.000 0.000 0.000 3/29160 870.0 1.251 1.252 1.362 0.000 0.000 0.000 3/29160 880.0 1.237 1.237 1.347 0.000 0.000 0.000 3/29160 890.0 1.223 1.223 1.332 0.000 0.000 0.000 3/29160 900.0 1.209 1.210 1.317 0.000 0.000 0.000 3/29160 910.0 1.196 1.196 1.302 0.000 0.000 0.000 3/29160 920.0 1.183 1.183 1.288 0.000 0.000 0.000 3/29160 930.0 1.170 1.170 1.274 0.000 0.000 0.000 3/29160 940.0 1.157 1.158 1.260 0.000 0.000 0.000 3/29160 950.0 1.145 1.145 1.247 0.000 0.000 0.000 3/29160 960.0 1.133 1.133 1.234 0.000 0.000 0.000 3/29160 970.0 1.121 1.122 1.221 0.000 0.000 0.000 3/29160 980.0 1.110 1.110 1.208 0.000 0.000 0.000 3/29160 990.0 1.098 1.099 1.196 0.000 0.000 0.000 3/29160 1000.0 1.087 1.088 1.184 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 2026-01-08 09:03:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|